data_nef_c15039_2jmk save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 0 GLY start . false 2 A 1 MET middle . . 3 A 2 THR middle . . 4 A 3 LEU middle . . 5 A 4 CYS middle . . 6 A 5 ALA middle . . 7 A 6 MET middle . . 8 A 7 TYR middle . . 9 A 8 ASN middle . . 10 A 9 ILE middle . . 11 A 10 SER middle . . 12 A 11 MET middle . . 13 A 12 ALA middle . . 14 A 13 GLY middle . false 15 A 14 SER middle . . 16 A 15 HIS middle . . 17 A 16 PRO middle . false 18 A 17 THR middle . . 19 A 18 THR middle . . 20 A 19 ILE middle . . 21 A 20 CYS middle . . 22 A 21 VAL middle . . 23 A 22 VAL middle . . 24 A 23 MET middle . . 25 A 24 ASP middle . . 26 A 25 ARG middle . . 27 A 26 PHE middle . . 28 A 27 LEU middle . . 29 A 28 GLU middle . . 30 A 29 SER middle . . 31 A 30 PHE middle . . 32 A 31 SER middle . . 33 A 32 GLU middle . . 34 A 33 LEU middle . . 35 A 34 TYR middle . . 36 A 35 ASP middle . . 37 A 36 ILE middle . . 38 A 37 ILE middle . . 39 A 38 ASP middle . . 40 A 39 GLU middle . . 41 A 40 ASN middle . . 42 A 41 ASP middle . . 43 A 42 THR middle . . 44 A 43 ASP middle . . 45 A 44 VAL middle . . 46 A 45 MET middle . . 47 A 46 MET middle . . 48 A 47 ASP middle . . 49 A 48 PHE middle . . 50 A 49 ILE middle . . 51 A 50 SER middle . . 52 A 51 ARG middle . . 53 A 52 PHE middle . . 54 A 53 ALA middle . . 55 A 54 ARG middle . . 56 A 55 THR middle . . 57 A 56 ASP middle . . 58 A 57 GLU middle . . 59 A 58 ILE middle . . 60 A 59 MET middle . . 61 A 60 PRO middle . false 62 A 61 GLU middle . . 63 A 62 ASP middle . . 64 A 63 LYS middle . . 65 A 64 THR middle . . 66 A 65 VAL middle . . 67 A 66 GLY middle . false 68 A 67 PHE middle . . 69 A 68 VAL middle . . 70 A 69 VAL middle . . 71 A 70 VAL middle . . 72 A 71 ASN middle . . 73 A 72 ALA middle . . 74 A 73 ASP middle . . 75 A 74 LYS middle . . 76 A 75 LYS middle . . 77 A 76 LEU middle . . 78 A 77 MET middle . . 79 A 78 SER middle . . 80 A 79 VAL middle . . 81 A 80 SER middle . . 82 A 81 PHE middle . . 83 A 82 SER middle . . 84 A 83 ASP middle . . 85 A 84 ILE middle . . 86 A 85 ASP middle . . 87 A 86 GLU middle . . 88 A 87 ASN middle . . 89 A 88 MET middle . . 90 A 89 LYS middle . . 91 A 90 LYS middle . . 92 A 91 VAL middle . . 93 A 92 ILE middle . . 94 A 93 LYS middle . . 95 A 94 ALA middle . . 96 A 95 THR middle . . 97 A 96 ALA middle . . 98 A 97 GLU middle . . 99 A 98 LYS middle . . 100 A 99 PHE middle . . 101 A 100 LYS middle . . 102 A 101 ASN middle . . 103 A 102 LYS middle . . 104 A 103 GLY middle . false 105 A 104 PHE middle . . 106 A 105 LYS middle . . 107 A 106 VAL middle . . 108 A 107 GLU middle . . 109 A 108 THR middle . . 110 A 109 ASP middle . . 111 A 110 MET 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 H H 1 8.219 0.020 A 1 MET HA H 1 4.361 0.020 A 1 MET HB2 H 1 1.902 0.020 A 1 MET HB3 H 1 1.902 0.020 A 1 MET HE% H 1 1.999 0.020 A 1 MET HGy H 1 2.483 0.020 A 1 MET HGx H 1 2.233 0.020 A 1 MET CA C 13 55.607 0.400 A 1 MET CB C 13 34.046 0.400 A 1 MET CE C 13 16.925 0.400 A 1 MET N N 15 122.766 0.400 A 2 THR H H 1 8.643 0.020 A 2 THR HA H 1 4.293 0.020 A 2 THR HB H 1 3.718 0.020 A 2 THR HG2% H 1 1.120 0.020 A 2 THR CA C 13 62.732 0.400 A 2 THR CB C 13 69.704 0.400 A 2 THR CG2 C 13 21.913 0.400 A 2 THR N N 15 123.156 0.400 A 3 LEU H H 1 8.640 0.020 A 3 LEU HA H 1 5.141 0.020 A 3 LEU HBy H 1 1.753 0.020 A 3 LEU HBx H 1 1.287 0.020 A 3 LEU HDx% H 1 0.920 0.020 A 3 LEU HDy% H 1 0.847 0.020 A 3 LEU HG H 1 1.662 0.020 A 3 LEU CA C 13 53.762 0.400 A 3 LEU CB C 13 42.526 0.400 A 3 LEU CD1 C 13 24.977 0.400 A 3 LEU CD2 C 13 23.930 0.400 A 3 LEU CG C 13 27.519 0.400 A 3 LEU N N 15 126.903 0.400 A 4 CYS H H 1 8.873 0.020 A 4 CYS HA H 1 5.097 0.020 A 4 CYS HBy H 1 2.651 0.020 A 4 CYS HBx H 1 2.471 0.020 A 4 CYS CA C 13 57.132 0.400 A 4 CYS CB C 13 32.817 0.400 A 4 CYS N N 15 117.991 0.400 A 5 ALA H H 1 9.304 0.020 A 5 ALA HA H 1 4.515 0.020 A 5 ALA HB% H 1 0.643 0.020 A 5 ALA CA C 13 49.942 0.400 A 5 ALA CB C 13 22.745 0.400 A 5 ALA N N 15 123.288 0.400 A 6 MET H H 1 7.817 0.020 A 6 MET HA H 1 5.352 0.020 A 6 MET HBx H 1 1.674 0.020 A 6 MET HBy H 1 1.799 0.020 A 6 MET HE% H 1 1.982 0.020 A 6 MET HGy H 1 2.434 0.020 A 6 MET HGx H 1 2.267 0.020 A 6 MET CA C 13 53.083 0.400 A 6 MET CB C 13 34.901 0.400 A 6 MET CE C 13 16.904 0.400 A 6 MET CG C 13 32.150 0.400 A 6 MET N N 15 118.156 0.400 A 7 TYR H H 1 9.320 0.020 A 7 TYR HA H 1 5.417 0.020 A 7 TYR HBy H 1 2.956 0.020 A 7 TYR HBx H 1 2.757 0.020 A 7 TYR HD1 H 1 6.841 0.020 A 7 TYR HD2 H 1 6.841 0.020 A 7 TYR HE1 H 1 6.582 0.020 A 7 TYR HE2 H 1 6.582 0.020 A 7 TYR CA C 13 57.344 0.400 A 7 TYR CB C 13 41.963 0.400 A 7 TYR N N 15 121.587 0.400 A 8 ASN H H 1 9.039 0.020 A 8 ASN HA H 1 5.326 0.020 A 8 ASN HBy H 1 2.818 0.020 A 8 ASN HBx H 1 2.666 0.020 A 8 ASN CA C 13 53.119 0.400 A 8 ASN CB C 13 41.128 0.400 A 8 ASN N N 15 120.587 0.400 A 9 ILE H H 1 9.168 0.020 A 9 ILE HA H 1 4.869 0.020 A 9 ILE HB H 1 1.607 0.020 A 9 ILE HD1% H 1 0.517 0.020 A 9 ILE HG12 H 1 0.790 0.020 A 9 ILE HG13 H 1 0.790 0.020 A 9 ILE HG2% H 1 0.744 0.020 A 9 ILE CA C 13 60.275 0.400 A 9 ILE CB C 13 41.851 0.400 A 9 ILE CD1 C 13 13.977 0.400 A 9 ILE CG2 C 13 16.971 0.400 A 9 ILE N N 15 124.016 0.400 A 10 SER H H 1 8.496 0.020 A 10 SER HA H 1 5.524 0.020 A 10 SER HB2 H 1 3.613 0.020 A 10 SER HB3 H 1 3.613 0.020 A 10 SER CA C 13 57.104 0.400 A 10 SER CB C 13 64.632 0.400 A 10 SER N N 15 123.101 0.400 A 11 MET H H 1 8.444 0.020 A 11 MET HA H 1 4.546 0.020 A 11 MET HBy H 1 2.046 0.020 A 11 MET HBx H 1 1.907 0.020 A 11 MET HE% H 1 1.955 0.020 A 11 MET HG2 H 1 2.367 0.020 A 11 MET HG3 H 1 2.367 0.020 A 11 MET CA C 13 54.935 0.400 A 11 MET CB C 13 34.721 0.400 A 11 MET CG C 13 32.021 0.400 A 11 MET N N 15 123.682 0.400 A 12 ALA H H 1 9.079 0.020 A 12 ALA HA H 1 4.087 0.020 A 12 ALA HB% H 1 1.265 0.020 A 12 ALA CA C 13 53.270 0.400 A 12 ALA CB C 13 17.589 0.400 A 12 ALA N N 15 125.371 0.400 A 13 GLY H H 1 9.062 0.020 A 13 GLY HAx H 1 3.696 0.020 A 13 GLY HAy H 1 3.992 0.020 A 13 GLY CA C 13 45.613 0.400 A 13 GLY N N 15 109.210 0.400 A 14 SER H H 1 7.891 0.020 A 14 SER HA H 1 4.492 0.020 A 14 SER HB2 H 1 3.865 0.020 A 14 SER HB3 H 1 3.865 0.020 A 14 SER CA C 13 57.585 0.400 A 14 SER CB C 13 64.964 0.400 A 14 SER N N 15 114.980 0.400 A 15 HIS H H 1 8.461 0.020 A 15 HIS HA H 1 4.894 0.020 A 15 HIS HBy H 1 3.178 0.020 A 15 HIS HBx H 1 3.082 0.020 A 15 HIS CA C 13 54.372 0.400 A 15 HIS CB C 13 28.481 0.400 A 15 HIS N N 15 120.549 0.400 A 16 PRO HA H 1 4.539 0.020 A 16 PRO HBy H 1 2.237 0.020 A 16 PRO HBx H 1 2.211 0.020 A 16 PRO HDy H 1 3.861 0.020 A 16 PRO HDx H 1 3.466 0.020 A 16 PRO HGx H 1 1.916 0.020 A 16 PRO HGy H 1 2.019 0.020 A 16 PRO CA C 13 63.915 0.400 A 16 PRO CB C 13 32.035 0.400 A 16 PRO CD C 13 50.687 0.400 A 16 PRO CG C 13 27.713 0.400 A 17 THR H H 1 8.855 0.020 A 17 THR HA H 1 4.550 0.020 A 17 THR HB H 1 3.978 0.020 A 17 THR HG2% H 1 1.158 0.020 A 17 THR CA C 13 62.152 0.400 A 17 THR CB C 13 71.293 0.400 A 17 THR CG2 C 13 20.766 0.400 A 17 THR N N 15 121.561 0.400 A 18 THR H H 1 8.578 0.020 A 18 THR HA H 1 5.619 0.020 A 18 THR HB H 1 4.034 0.020 A 18 THR HG2% H 1 1.187 0.020 A 18 THR CA C 13 60.670 0.400 A 18 THR CB C 13 70.398 0.400 A 18 THR CG2 C 13 21.800 0.400 A 18 THR N N 15 122.541 0.400 A 19 ILE H H 1 8.736 0.020 A 19 ILE HA H 1 4.547 0.020 A 19 ILE HB H 1 1.889 0.020 A 19 ILE HD1% H 1 0.759 0.020 A 19 ILE HG1y H 1 1.565 0.020 A 19 ILE HG1x H 1 1.041 0.020 A 19 ILE HG2% H 1 0.949 0.020 A 19 ILE CA C 13 60.158 0.400 A 19 ILE CB C 13 42.929 0.400 A 19 ILE CD1 C 13 15.135 0.400 A 19 ILE CG2 C 13 18.414 0.400 A 19 ILE N N 15 121.684 0.400 A 20 CYS H H 1 9.134 0.020 A 20 CYS HA H 1 5.253 0.020 A 20 CYS HB2 H 1 2.799 0.020 A 20 CYS HB3 H 1 2.799 0.020 A 20 CYS CA C 13 57.737 0.400 A 20 CYS CB C 13 45.752 0.400 A 20 CYS N N 15 127.038 0.400 A 21 VAL H H 1 9.179 0.020 A 21 VAL HA H 1 4.789 0.020 A 21 VAL HB H 1 1.941 0.020 A 21 VAL HGx% H 1 1.200 0.020 A 21 VAL HGy% H 1 1.040 0.020 A 21 VAL CA C 13 60.052 0.400 A 21 VAL CB C 13 36.241 0.400 A 21 VAL CG1 C 13 20.001 0.400 A 21 VAL CG2 C 13 21.570 0.400 A 21 VAL N N 15 126.959 0.400 A 22 VAL H H 1 9.301 0.020 A 22 VAL HA H 1 4.422 0.020 A 22 VAL HB H 1 2.482 0.020 A 22 VAL HGx% H 1 1.114 0.020 A 22 VAL HGy% H 1 1.089 0.020 A 22 VAL CA C 13 62.781 0.400 A 22 VAL CB C 13 31.651 0.400 A 22 VAL CG1 C 13 22.442 0.400 A 22 VAL CG2 C 13 20.008 0.400 A 22 VAL N N 15 122.679 0.400 A 23 MET H H 1 8.936 0.020 A 23 MET CA C 13 56.500 0.400 A 23 MET CB C 13 29.752 0.400 A 23 MET N N 15 122.724 0.400 A 24 ASP H H 1 8.583 0.020 A 24 ASP HA H 1 4.479 0.020 A 24 ASP HBy H 1 2.738 0.020 A 24 ASP HBx H 1 2.599 0.020 A 24 ASP CA C 13 56.713 0.400 A 24 ASP CB C 13 40.510 0.400 A 24 ASP N N 15 117.655 0.400 A 25 ARG H H 1 7.915 0.020 A 25 ARG HA H 1 4.941 0.020 A 25 ARG HBx H 1 1.805 0.020 A 25 ARG HBy H 1 2.386 0.020 A 25 ARG HDy H 1 3.325 0.020 A 25 ARG HDx H 1 3.231 0.020 A 25 ARG HG2 H 1 1.621 0.020 A 25 ARG HG3 H 1 1.621 0.020 A 25 ARG CA C 13 54.996 0.400 A 25 ARG CB C 13 31.117 0.400 A 25 ARG N N 15 115.474 0.400 A 26 PHE H H 1 7.919 0.020 A 26 PHE HA H 1 3.873 0.020 A 26 PHE HBx H 1 2.877 0.020 A 26 PHE HBy H 1 3.300 0.020 A 26 PHE HD1 H 1 6.594 0.020 A 26 PHE HD2 H 1 6.594 0.020 A 26 PHE CA C 13 62.605 0.400 A 26 PHE CB C 13 40.168 0.400 A 26 PHE N N 15 120.467 0.400 A 27 LEU H H 1 9.251 0.020 A 27 LEU HA H 1 3.610 0.020 A 27 LEU HBy H 1 1.698 0.020 A 27 LEU HBx H 1 1.468 0.020 A 27 LEU HDx% H 1 0.859 0.020 A 27 LEU HDy% H 1 0.923 0.020 A 27 LEU HG H 1 1.787 0.020 A 27 LEU CA C 13 58.812 0.400 A 27 LEU CB C 13 40.198 0.400 A 27 LEU CD1 C 13 23.440 0.400 A 27 LEU CD2 C 13 24.992 0.400 A 27 LEU CG C 13 27.212 0.400 A 27 LEU N N 15 122.213 0.400 A 28 GLU H H 1 8.495 0.020 A 28 GLU HA H 1 3.917 0.020 A 28 GLU HB2 H 1 2.071 0.020 A 28 GLU HB3 H 1 2.071 0.020 A 28 GLU HGy H 1 2.408 0.020 A 28 GLU HGx H 1 2.266 0.020 A 28 GLU CA C 13 59.267 0.400 A 28 GLU CB C 13 29.488 0.400 A 28 GLU CG C 13 36.121 0.400 A 28 GLU N N 15 121.065 0.400 A 29 SER H H 1 7.615 0.020 A 29 SER HA H 1 2.667 0.020 A 29 SER HBy H 1 2.923 0.020 A 29 SER HBx H 1 2.825 0.020 A 29 SER CA C 13 61.111 0.400 A 29 SER CB C 13 62.491 0.400 A 29 SER N N 15 115.740 0.400 A 30 PHE H H 1 7.931 0.020 A 30 PHE HA H 1 4.813 0.020 A 30 PHE HBx H 1 2.340 0.020 A 30 PHE HBy H 1 2.620 0.020 A 30 PHE HD1 H 1 7.260 0.020 A 30 PHE HD2 H 1 7.260 0.020 A 30 PHE CA C 13 56.769 0.400 A 30 PHE CB C 13 39.496 0.400 A 30 PHE N N 15 126.923 0.400 A 31 SER H H 1 7.807 0.020 A 31 SER HA H 1 3.792 0.020 A 31 SER CA C 13 61.473 0.400 A 31 SER CB C 13 62.592 0.400 A 31 SER N N 15 112.076 0.400 A 32 GLU H H 1 7.793 0.020 A 32 GLU HA H 1 4.160 0.020 A 32 GLU HB2 H 1 2.209 0.020 A 32 GLU HB3 H 1 2.209 0.020 A 32 GLU HGy H 1 2.546 0.020 A 32 GLU HGx H 1 2.431 0.020 A 32 GLU CA C 13 59.590 0.400 A 32 GLU CB C 13 28.689 0.400 A 32 GLU CG C 13 36.756 0.400 A 32 GLU N N 15 120.995 0.400 A 33 LEU H H 1 8.387 0.020 A 33 LEU HA H 1 3.562 0.020 A 33 LEU HB2 H 1 2.233 0.020 A 33 LEU HB3 H 1 2.233 0.020 A 33 LEU HDx% H 1 0.813 0.020 A 33 LEU HDy% H 1 0.120 0.020 A 33 LEU HG H 1 1.447 0.020 A 33 LEU CA C 13 57.042 0.400 A 33 LEU CB C 13 40.672 0.400 A 33 LEU CD1 C 13 26.558 0.400 A 33 LEU CD2 C 13 22.070 0.400 A 33 LEU CG C 13 26.704 0.400 A 33 LEU N N 15 120.111 0.400 A 34 TYR H H 1 7.188 0.020 A 34 TYR HA H 1 3.111 0.020 A 34 TYR HBx H 1 2.067 0.020 A 34 TYR HBy H 1 2.765 0.020 A 34 TYR HD1 H 1 5.962 0.020 A 34 TYR HD2 H 1 5.962 0.020 A 34 TYR HE1 H 1 6.439 0.020 A 34 TYR HE2 H 1 6.439 0.020 A 34 TYR CA C 13 61.229 0.400 A 34 TYR CB C 13 36.539 0.400 A 34 TYR N N 15 116.634 0.400 A 35 ASP H H 1 7.073 0.020 A 35 ASP HA H 1 3.993 0.020 A 35 ASP HBy H 1 2.825 0.020 A 35 ASP HBx H 1 2.603 0.020 A 35 ASP CA C 13 57.091 0.400 A 35 ASP CB C 13 40.828 0.400 A 35 ASP N N 15 116.817 0.400 A 36 ILE H H 1 7.253 0.020 A 36 ILE HA H 1 4.465 0.020 A 36 ILE HB H 1 2.018 0.020 A 36 ILE HD1% H 1 0.489 0.020 A 36 ILE HG12 H 1 1.322 0.020 A 36 ILE HG13 H 1 1.322 0.020 A 36 ILE HG2% H 1 0.837 0.020 A 36 ILE CA C 13 61.655 0.400 A 36 ILE CB C 13 39.639 0.400 A 36 ILE CD1 C 13 14.340 0.400 A 36 ILE CG2 C 13 17.479 0.400 A 36 ILE N N 15 108.798 0.400 A 37 ILE H H 1 7.500 0.020 A 37 ILE HA H 1 3.924 0.020 A 37 ILE HB H 1 2.080 0.020 A 37 ILE HD1% H 1 0.799 0.020 A 37 ILE HG1x H 1 1.228 0.020 A 37 ILE HG1y H 1 1.655 0.020 A 37 ILE HG2% H 1 0.801 0.020 A 37 ILE CA C 13 61.063 0.400 A 37 ILE CB C 13 37.858 0.400 A 37 ILE CD1 C 13 14.480 0.400 A 37 ILE CG1 C 13 29.818 0.400 A 37 ILE CG2 C 13 18.492 0.400 A 37 ILE N N 15 121.410 0.400 A 38 ASP H H 1 8.418 0.020 A 38 ASP HA H 1 4.673 0.020 A 38 ASP HBy H 1 2.777 0.020 A 38 ASP HBx H 1 2.463 0.020 A 38 ASP CA C 13 52.777 0.400 A 38 ASP CB C 13 40.235 0.400 A 38 ASP N N 15 117.654 0.400 A 39 GLU H H 1 7.710 0.020 A 39 GLU HA H 1 4.121 0.020 A 39 GLU CA C 13 56.805 0.400 A 39 GLU CB C 13 29.414 0.400 A 39 GLU N N 15 120.021 0.400 A 40 ASN H H 1 8.272 0.020 A 40 ASN HA H 1 4.542 0.020 A 40 ASN HBy H 1 2.837 0.020 A 40 ASN HBx H 1 2.574 0.020 A 40 ASN CA C 13 53.322 0.400 A 40 ASN CB C 13 38.572 0.400 A 40 ASN N N 15 118.244 0.400 A 41 ASP H H 1 7.686 0.020 A 41 ASP HA H 1 3.773 0.020 A 41 ASP HB2 H 1 2.627 0.020 A 41 ASP HB3 H 1 2.627 0.020 A 41 ASP CA C 13 53.483 0.400 A 41 ASP CB C 13 42.614 0.400 A 41 ASP N N 15 118.844 0.400 A 42 THR H H 1 8.573 0.020 A 42 THR HA H 1 3.928 0.020 A 42 THR HB H 1 4.211 0.020 A 42 THR HG2% H 1 1.245 0.020 A 42 THR CA C 13 64.831 0.400 A 42 THR CB C 13 68.915 0.400 A 42 THR CG2 C 13 22.153 0.400 A 42 THR N N 15 118.442 0.400 A 43 ASP H H 1 8.495 0.020 A 43 ASP HA H 1 4.722 0.020 A 43 ASP HB2 H 1 3.729 0.020 A 43 ASP CA C 13 57.088 0.400 A 43 ASP CB C 13 39.770 0.400 A 43 ASP N N 15 123.041 0.400 A 44 VAL H H 1 7.723 0.020 A 44 VAL HA H 1 3.889 0.020 A 44 VAL HB H 1 2.151 0.020 A 44 VAL HGx% H 1 0.995 0.020 A 44 VAL HGy% H 1 0.995 0.020 A 44 VAL CA C 13 65.323 0.400 A 44 VAL CB C 13 31.682 0.400 A 44 VAL CG1 C 13 21.823 0.400 A 44 VAL N N 15 119.925 0.400 A 45 MET H H 1 7.592 0.020 A 45 MET HA H 1 4.324 0.020 A 45 MET HB2 H 1 2.141 0.020 A 45 MET HB3 H 1 2.141 0.020 A 45 MET HE% H 1 1.816 0.020 A 45 MET HGy H 1 2.551 0.020 A 45 MET HGx H 1 2.468 0.020 A 45 MET CA C 13 57.303 0.400 A 45 MET CB C 13 31.363 0.400 A 45 MET CE C 13 16.655 0.400 A 45 MET CG C 13 31.922 0.400 A 45 MET N N 15 120.656 0.400 A 46 MET H H 1 8.084 0.020 A 46 MET HA H 1 4.278 0.020 A 46 MET HBy H 1 2.760 0.020 A 46 MET HBx H 1 2.676 0.020 A 46 MET HE% H 1 2.051 0.020 A 46 MET HGy H 1 2.226 0.020 A 46 MET HGx H 1 2.106 0.020 A 46 MET CA C 13 58.101 0.400 A 46 MET CB C 13 32.346 0.400 A 46 MET CE C 13 16.920 0.400 A 46 MET CG C 13 31.157 0.400 A 46 MET N N 15 118.016 0.400 A 47 ASP H H 1 7.934 0.020 A 47 ASP HA H 1 4.368 0.020 A 47 ASP HB2 H 1 2.719 0.020 A 47 ASP HB3 H 1 2.719 0.020 A 47 ASP CA C 13 57.273 0.400 A 47 ASP CB C 13 41.270 0.400 A 47 ASP N N 15 121.020 0.400 A 48 PHE H H 1 7.815 0.020 A 48 PHE HA H 1 4.086 0.020 A 48 PHE HBy H 1 3.491 0.020 A 48 PHE HBx H 1 3.100 0.020 A 48 PHE HD1 H 1 7.083 0.020 A 48 PHE HD2 H 1 7.083 0.020 A 48 PHE HE1 H 1 6.886 0.020 A 48 PHE HE2 H 1 6.886 0.020 A 48 PHE CA C 13 62.267 0.400 A 48 PHE CB C 13 39.330 0.400 A 48 PHE N N 15 122.669 0.400 A 49 ILE H H 1 8.452 0.020 A 49 ILE HA H 1 3.347 0.020 A 49 ILE HB H 1 1.977 0.020 A 49 ILE HD1% H 1 0.923 0.020 A 49 ILE HG1x H 1 1.020 0.020 A 49 ILE HG1y H 1 2.042 0.020 A 49 ILE HG2% H 1 0.910 0.020 A 49 ILE CA C 13 66.033 0.400 A 49 ILE CB C 13 38.693 0.400 A 49 ILE CD1 C 13 14.079 0.400 A 49 ILE CG1 C 13 29.919 0.400 A 49 ILE CG2 C 13 17.137 0.400 A 49 ILE N N 15 119.061 0.400 A 50 SER H H 1 8.048 0.020 A 50 SER HA H 1 4.023 0.020 A 50 SER HB2 H 1 3.926 0.020 A 50 SER HB3 H 1 3.926 0.020 A 50 SER CA C 13 61.213 0.400 A 50 SER CB C 13 62.716 0.400 A 50 SER N N 15 113.600 0.400 A 51 ARG H H 1 7.691 0.020 A 51 ARG HA H 1 4.635 0.020 A 51 ARG CA C 13 58.871 0.400 A 51 ARG CB C 13 31.193 0.400 A 51 ARG N N 15 118.927 0.400 A 52 PHE H H 1 7.503 0.020 A 52 PHE HA H 1 4.534 0.020 A 52 PHE HBy H 1 2.920 0.020 A 52 PHE HBx H 1 1.864 0.020 A 52 PHE HD1 H 1 6.526 0.020 A 52 PHE HD2 H 1 6.526 0.020 A 52 PHE HE1 H 1 7.035 0.020 A 52 PHE HE2 H 1 7.035 0.020 A 52 PHE CA C 13 59.900 0.400 A 52 PHE CB C 13 40.688 0.400 A 52 PHE N N 15 113.369 0.400 A 53 ALA H H 1 8.433 0.020 A 53 ALA HA H 1 4.343 0.020 A 53 ALA HB% H 1 1.449 0.020 A 53 ALA CA C 13 53.284 0.400 A 53 ALA CB C 13 19.343 0.400 A 53 ALA N N 15 121.298 0.400 A 54 ARG H H 1 8.949 0.020 A 54 ARG CA C 13 57.451 0.400 A 54 ARG CB C 13 31.127 0.400 A 54 ARG N N 15 123.728 0.400 A 55 THR H H 1 8.716 0.020 A 55 THR HA H 1 4.404 0.020 A 55 THR HB H 1 4.364 0.020 A 55 THR HG2% H 1 1.177 0.020 A 55 THR CA C 13 61.838 0.400 A 55 THR CB C 13 69.664 0.400 A 55 THR CG2 C 13 21.650 0.400 A 55 THR N N 15 115.567 0.400 A 56 ASP H H 1 8.365 0.020 A 56 ASP HA H 1 4.593 0.020 A 56 ASP HBy H 1 2.692 0.020 A 56 ASP HBx H 1 2.651 0.020 A 56 ASP CA C 13 52.744 0.400 A 56 ASP CB C 13 40.955 0.400 A 56 ASP N N 15 121.715 0.400 A 57 GLU H H 1 8.103 0.020 A 57 GLU HA H 1 3.944 0.020 A 57 GLU HB2 H 1 1.820 0.020 A 57 GLU HB3 H 1 1.820 0.020 A 57 GLU HG2 H 1 2.179 0.020 A 57 GLU HG3 H 1 2.179 0.020 A 57 GLU CA C 13 56.566 0.400 A 57 GLU CB C 13 30.303 0.400 A 57 GLU CG C 13 36.062 0.400 A 57 GLU N N 15 119.540 0.400 A 58 ILE H H 1 8.032 0.020 A 58 ILE HA H 1 3.766 0.020 A 58 ILE HB H 1 1.652 0.020 A 58 ILE HD1% H 1 0.793 0.020 A 58 ILE HG1y H 1 1.578 0.020 A 58 ILE HG1x H 1 1.039 0.020 A 58 ILE HG2% H 1 0.812 0.020 A 58 ILE CA C 13 61.925 0.400 A 58 ILE CB C 13 37.780 0.400 A 58 ILE CD1 C 13 13.082 0.400 A 58 ILE CG2 C 13 17.634 0.400 A 58 ILE N N 15 123.203 0.400 A 59 MET H H 1 8.513 0.020 A 59 MET HA H 1 4.997 0.020 A 59 MET HBy H 1 2.742 0.020 A 59 MET HBx H 1 2.522 0.020 A 59 MET HGy H 1 2.205 0.020 A 59 MET HGx H 1 1.969 0.020 A 59 MET CA C 13 52.055 0.400 A 59 MET CB C 13 31.488 0.400 A 59 MET N N 15 129.266 0.400 A 60 PRO HA H 1 4.204 0.020 A 60 PRO HBy H 1 2.306 0.020 A 60 PRO HBx H 1 1.824 0.020 A 60 PRO HDy H 1 3.772 0.020 A 60 PRO CA C 13 65.296 0.400 A 60 PRO CB C 13 31.926 0.400 A 60 PRO CD C 13 50.615 0.400 A 61 GLU H H 1 8.349 0.020 A 61 GLU HA H 1 4.125 0.020 A 61 GLU HBy H 1 2.059 0.020 A 61 GLU HBx H 1 1.913 0.020 A 61 GLU HGy H 1 2.202 0.020 A 61 GLU HGx H 1 2.132 0.020 A 61 GLU CA C 13 56.893 0.400 A 61 GLU CB C 13 29.325 0.400 A 61 GLU CG C 13 36.779 0.400 A 61 GLU N N 15 113.170 0.400 A 62 ASP H H 1 7.488 0.020 A 62 ASP HA H 1 4.553 0.020 A 62 ASP HBy H 1 2.788 0.020 A 62 ASP HBx H 1 2.562 0.020 A 62 ASP CA C 13 55.738 0.400 A 62 ASP CB C 13 40.969 0.400 A 62 ASP N N 15 120.883 0.400 A 63 LYS H H 1 7.898 0.020 A 63 LYS HA H 1 4.584 0.020 A 63 LYS HBy H 1 1.612 0.020 A 63 LYS HBx H 1 1.540 0.020 A 63 LYS HD2 H 1 1.529 0.020 A 63 LYS HD3 H 1 1.529 0.020 A 63 LYS HE2 H 1 2.843 0.020 A 63 LYS HE3 H 1 2.843 0.020 A 63 LYS HGy H 1 1.341 0.020 A 63 LYS HGx H 1 1.141 0.020 A 63 LYS CA C 13 54.937 0.400 A 63 LYS CB C 13 36.304 0.400 A 63 LYS CD C 13 29.061 0.400 A 63 LYS CG C 13 24.655 0.400 A 63 LYS N N 15 120.381 0.400 A 64 THR H H 1 8.697 0.020 A 64 THR HA H 1 4.442 0.020 A 64 THR HB H 1 3.826 0.020 A 64 THR HG2% H 1 0.621 0.020 A 64 THR CA C 13 61.380 0.400 A 64 THR CB C 13 67.747 0.400 A 64 THR CG2 C 13 23.436 0.400 A 64 THR N N 15 123.099 0.400 A 65 VAL H H 1 8.638 0.020 A 65 VAL HA H 1 4.276 0.020 A 65 VAL HB H 1 2.725 0.020 A 65 VAL HGx% H 1 0.881 0.020 A 65 VAL HGy% H 1 0.775 0.020 A 65 VAL CA C 13 60.969 0.400 A 65 VAL CB C 13 32.162 0.400 A 65 VAL CG1 C 13 23.046 0.400 A 65 VAL CG2 C 13 18.798 0.400 A 65 VAL N N 15 119.026 0.400 A 66 GLY H H 1 6.450 0.020 A 66 GLY HAy H 1 4.157 0.020 A 66 GLY HAx H 1 3.882 0.020 A 66 GLY CA C 13 45.015 0.400 A 66 GLY N N 15 105.676 0.400 A 67 PHE H H 1 8.137 0.020 A 67 PHE HA H 1 4.992 0.020 A 67 PHE HBy H 1 2.705 0.020 A 67 PHE HBx H 1 2.538 0.020 A 67 PHE HD1 H 1 6.880 0.020 A 67 PHE HD2 H 1 6.880 0.020 A 67 PHE CA C 13 56.196 0.400 A 67 PHE CB C 13 42.729 0.400 A 67 PHE N N 15 116.670 0.400 A 68 VAL H H 1 8.801 0.020 A 68 VAL HA H 1 4.723 0.020 A 68 VAL HB H 1 1.762 0.020 A 68 VAL HGx% H 1 0.790 0.020 A 68 VAL HGy% H 1 0.400 0.020 A 68 VAL CA C 13 60.994 0.400 A 68 VAL CB C 13 33.755 0.400 A 68 VAL CG1 C 13 21.167 0.400 A 68 VAL CG2 C 13 20.433 0.400 A 68 VAL N N 15 124.854 0.400 A 69 VAL H H 1 9.141 0.020 A 69 VAL HA H 1 4.907 0.020 A 69 VAL HB H 1 2.064 0.020 A 69 VAL HGx% H 1 0.850 0.020 A 69 VAL HGy% H 1 0.850 0.020 A 69 VAL CA C 13 61.342 0.400 A 69 VAL CB C 13 33.104 0.400 A 69 VAL CG2 C 13 20.926 0.400 A 69 VAL N N 15 129.367 0.400 A 70 VAL H H 1 9.117 0.020 A 70 VAL HA H 1 4.898 0.020 A 70 VAL HB H 1 1.988 0.020 A 70 VAL HGx% H 1 0.907 0.020 A 70 VAL HGy% H 1 0.833 0.020 A 70 VAL CA C 13 60.313 0.400 A 70 VAL CB C 13 35.334 0.400 A 70 VAL CG1 C 13 21.262 0.400 A 70 VAL CG2 C 13 22.099 0.400 A 70 VAL N N 15 125.083 0.400 A 71 ASN H H 1 9.132 0.020 A 71 ASN HA H 1 5.248 0.020 A 71 ASN HBx H 1 2.681 0.020 A 71 ASN HBy H 1 2.914 0.020 A 71 ASN HD2x H 1 7.337 0.020 A 71 ASN HD2y H 1 7.884 0.020 A 71 ASN CA C 13 51.907 0.400 A 71 ASN CB C 13 39.668 0.400 A 71 ASN N N 15 127.175 0.400 A 71 ASN ND2 N 15 114.047 0.400 A 72 ALA H H 1 8.952 0.020 A 72 ALA HA H 1 4.245 0.020 A 72 ALA HB% H 1 1.670 0.020 A 72 ALA CA C 13 55.177 0.400 A 72 ALA CB C 13 19.271 0.400 A 72 ALA N N 15 126.767 0.400 A 73 ASP H H 1 8.219 0.020 A 73 ASP HA H 1 4.407 0.020 A 73 ASP HB2 H 1 2.676 0.020 A 73 ASP HB3 H 1 2.676 0.020 A 73 ASP CA C 13 57.073 0.400 A 73 ASP CB C 13 41.104 0.400 A 73 ASP N N 15 118.126 0.400 A 74 LYS H H 1 7.462 0.020 A 74 LYS HA H 1 4.081 0.020 A 74 LYS HBy H 1 1.877 0.020 A 74 LYS HBx H 1 1.155 0.020 A 74 LYS HGy H 1 1.382 0.020 A 74 LYS HGx H 1 1.284 0.020 A 74 LYS CA C 13 55.410 0.400 A 74 LYS CB C 13 33.409 0.400 A 74 LYS CG C 13 25.455 0.400 A 74 LYS N N 15 115.219 0.400 A 75 LYS H H 1 7.472 0.020 A 75 LYS HA H 1 4.507 0.020 A 75 LYS HB2 H 1 1.660 0.020 A 75 LYS HB3 H 1 1.660 0.020 A 75 LYS CA C 13 56.586 0.400 A 75 LYS CB C 13 29.048 0.400 A 75 LYS N N 15 115.907 0.400 A 76 LEU H H 1 7.764 0.020 A 76 LEU HA H 1 5.173 0.020 A 76 LEU HBy H 1 1.571 0.020 A 76 LEU HBx H 1 1.473 0.020 A 76 LEU HDx% H 1 0.811 0.020 A 76 LEU HDy% H 1 0.857 0.020 A 76 LEU HG H 1 1.430 0.020 A 76 LEU CA C 13 53.779 0.400 A 76 LEU CB C 13 46.440 0.400 A 76 LEU CD1 C 13 24.732 0.400 A 76 LEU CD2 C 13 24.030 0.400 A 76 LEU CG C 13 26.586 0.400 A 76 LEU N N 15 118.833 0.400 A 77 MET H H 1 8.765 0.020 A 77 MET HA H 1 5.515 0.020 A 77 MET HBy H 1 1.873 0.020 A 77 MET HBx H 1 1.777 0.020 A 77 MET HGy H 1 2.116 0.020 A 77 MET HGx H 1 2.027 0.020 A 77 MET CA C 13 54.488 0.400 A 77 MET CB C 13 37.074 0.400 A 77 MET CG C 13 32.189 0.400 A 77 MET N N 15 123.849 0.400 A 78 SER H H 1 9.213 0.020 A 78 SER HA H 1 5.538 0.020 A 78 SER HBy H 1 3.731 0.020 A 78 SER HBx H 1 3.619 0.020 A 78 SER CA C 13 56.394 0.400 A 78 SER CB C 13 65.070 0.400 A 78 SER N N 15 121.903 0.400 A 79 VAL H H 1 8.588 0.020 A 79 VAL HA H 1 4.733 0.020 A 79 VAL HB H 1 2.009 0.020 A 79 VAL HGx% H 1 0.962 0.020 A 79 VAL HGy% H 1 0.922 0.020 A 79 VAL CA C 13 55.284 0.400 A 79 VAL CB C 13 34.929 0.400 A 79 VAL CG1 C 13 21.879 0.400 A 79 VAL CG2 C 13 21.444 0.400 A 79 VAL N N 15 124.732 0.400 A 80 SER H H 1 8.497 0.020 A 80 SER HA H 1 4.426 0.020 A 80 SER CA C 13 56.490 0.400 A 80 SER CB C 13 64.546 0.400 A 80 SER N N 15 123.027 0.400 A 81 PHE H H 1 8.535 0.020 A 81 PHE HA H 1 5.292 0.020 A 81 PHE HBx H 1 2.659 0.020 A 81 PHE HBy H 1 2.766 0.020 A 81 PHE HD1 H 1 6.746 0.020 A 81 PHE HD2 H 1 6.746 0.020 A 81 PHE HE1 H 1 6.419 0.020 A 81 PHE HE2 H 1 6.419 0.020 A 81 PHE HZ H 1 6.579 0.020 A 81 PHE CA C 13 56.817 0.400 A 81 PHE CB C 13 46.174 0.400 A 81 PHE N N 15 124.728 0.400 A 82 SER H H 1 8.376 0.020 A 82 SER HA H 1 4.546 0.020 A 82 SER HBy H 1 3.788 0.020 A 82 SER HBx H 1 3.707 0.020 A 82 SER CA C 13 57.206 0.400 A 82 SER CB C 13 65.173 0.400 A 82 SER N N 15 112.815 0.400 A 83 ASP H H 1 8.377 0.020 A 83 ASP HA H 1 4.331 0.020 A 83 ASP HBy H 1 2.787 0.020 A 83 ASP HBx H 1 2.621 0.020 A 83 ASP CA C 13 55.781 0.400 A 83 ASP CB C 13 39.651 0.400 A 83 ASP N N 15 116.696 0.400 A 84 ILE H H 1 7.346 0.020 A 84 ILE HA H 1 4.570 0.020 A 84 ILE HB H 1 1.755 0.020 A 84 ILE HD1% H 1 0.340 0.020 A 84 ILE HG1y H 1 1.195 0.020 A 84 ILE HG1x H 1 0.728 0.020 A 84 ILE HG2% H 1 0.872 0.020 A 84 ILE CA C 13 59.241 0.400 A 84 ILE CB C 13 41.912 0.400 A 84 ILE CD1 C 13 15.213 0.400 A 84 ILE CG1 C 13 25.337 0.400 A 84 ILE CG2 C 13 18.381 0.400 A 84 ILE N N 15 110.323 0.400 A 85 ASP H H 1 8.155 0.020 A 85 ASP HA H 1 4.455 0.020 A 85 ASP HBy H 1 2.912 0.020 A 85 ASP HBx H 1 2.568 0.020 A 85 ASP CA C 13 53.878 0.400 A 85 ASP CB C 13 42.357 0.400 A 85 ASP N N 15 120.159 0.400 A 86 GLU H H 1 8.604 0.020 A 86 GLU HA H 1 3.792 0.020 A 86 GLU HB2 H 1 1.995 0.020 A 86 GLU HB3 H 1 1.995 0.020 A 86 GLU HG2 H 1 2.293 0.020 A 86 GLU HG3 H 1 2.293 0.020 A 86 GLU CA C 13 59.397 0.400 A 86 GLU CB C 13 29.728 0.400 A 86 GLU CG C 13 35.903 0.400 A 86 GLU N N 15 119.646 0.400 A 87 ASN H H 1 8.433 0.020 A 87 ASN HA H 1 4.369 0.020 A 87 ASN HBy H 1 2.797 0.020 A 87 ASN HBx H 1 2.694 0.020 A 87 ASN CA C 13 56.529 0.400 A 87 ASN CB C 13 37.870 0.400 A 87 ASN N N 15 118.172 0.400 A 88 MET H H 1 8.118 0.020 A 88 MET HA H 1 4.141 0.020 A 88 MET HBy H 1 2.139 0.020 A 88 MET HBx H 1 1.833 0.020 A 88 MET HE% H 1 2.032 0.020 A 88 MET HG2 H 1 2.400 0.020 A 88 MET HG3 H 1 2.400 0.020 A 88 MET CA C 13 57.749 0.400 A 88 MET CB C 13 32.143 0.400 A 88 MET CE C 13 17.177 0.400 A 88 MET CG C 13 32.565 0.400 A 88 MET N N 15 121.018 0.400 A 89 LYS H H 1 8.176 0.020 A 89 LYS HA H 1 3.449 0.020 A 89 LYS HBy H 1 1.860 0.020 A 89 LYS HBx H 1 1.704 0.020 A 89 LYS CA C 13 60.643 0.400 A 89 LYS CB C 13 32.850 0.400 A 89 LYS N N 15 118.334 0.400 A 90 LYS H H 1 7.494 0.020 A 90 LYS HA H 1 3.858 0.020 A 90 LYS HB2 H 1 1.909 0.020 A 90 LYS HB3 H 1 1.909 0.020 A 90 LYS HDy H 1 1.625 0.020 A 90 LYS HDx H 1 1.351 0.020 A 90 LYS HE2 H 1 2.907 0.020 A 90 LYS HE3 H 1 2.907 0.020 A 90 LYS HGy H 1 1.615 0.020 A 90 LYS HGx H 1 1.364 0.020 A 90 LYS CA C 13 59.889 0.400 A 90 LYS CB C 13 32.442 0.400 A 90 LYS CD C 13 25.260 0.400 A 90 LYS CG C 13 26.261 0.400 A 90 LYS N N 15 116.659 0.400 A 91 VAL H H 1 7.550 0.020 A 91 VAL HA H 1 3.853 0.020 A 91 VAL HB H 1 2.056 0.020 A 91 VAL HGx% H 1 1.002 0.020 A 91 VAL HGy% H 1 0.955 0.020 A 91 VAL CA C 13 65.698 0.400 A 91 VAL CB C 13 31.825 0.400 A 91 VAL CG1 C 13 21.898 0.400 A 91 VAL CG2 C 13 22.294 0.400 A 91 VAL N N 15 119.325 0.400 A 92 ILE H H 1 8.568 0.020 A 92 ILE HA H 1 3.486 0.020 A 92 ILE HB H 1 1.496 0.020 A 92 ILE HD1% H 1 -0.353 0.020 A 92 ILE HG12 H 1 1.633 0.020 A 92 ILE HG13 H 1 1.633 0.020 A 92 ILE HG2% H 1 0.545 0.020 A 92 ILE CA C 13 67.146 0.400 A 92 ILE CB C 13 37.702 0.400 A 92 ILE CD1 C 13 13.097 0.400 A 92 ILE CG2 C 13 17.720 0.400 A 92 ILE N N 15 123.574 0.400 A 93 LYS H H 1 8.331 0.020 A 93 LYS HA H 1 3.767 0.020 A 93 LYS HBy H 1 1.920 0.020 A 93 LYS HBx H 1 1.825 0.020 A 93 LYS HGy H 1 1.452 0.020 A 93 LYS HGx H 1 1.382 0.020 A 93 LYS CA C 13 60.771 0.400 A 93 LYS CB C 13 32.679 0.400 A 93 LYS N N 15 119.669 0.400 A 94 ALA H H 1 7.747 0.020 A 94 ALA HA H 1 4.080 0.020 A 94 ALA HB% H 1 1.414 0.020 A 94 ALA CA C 13 55.040 0.400 A 94 ALA CB C 13 18.060 0.400 A 94 ALA N N 15 119.355 0.400 A 95 THR H H 1 8.108 0.020 A 95 THR HA H 1 3.549 0.020 A 95 THR HB H 1 4.129 0.020 A 95 THR HG2% H 1 0.557 0.020 A 95 THR CA C 13 66.938 0.400 A 95 THR CB C 13 67.950 0.400 A 95 THR CG2 C 13 21.188 0.400 A 95 THR N N 15 116.173 0.400 A 96 ALA H H 1 8.627 0.020 A 96 ALA HA H 1 3.889 0.020 A 96 ALA HB% H 1 1.486 0.020 A 96 ALA CA C 13 54.998 0.400 A 96 ALA CB C 13 18.071 0.400 A 96 ALA N N 15 123.001 0.400 A 97 GLU H H 1 8.166 0.020 A 97 GLU HA H 1 3.828 0.020 A 97 GLU HB2 H 1 2.001 0.020 A 97 GLU HB3 H 1 2.001 0.020 A 97 GLU HGy H 1 2.474 0.020 A 97 GLU HGx H 1 2.245 0.020 A 97 GLU CA C 13 59.191 0.400 A 97 GLU CB C 13 29.519 0.400 A 97 GLU CG C 13 36.727 0.400 A 97 GLU N N 15 114.473 0.400 A 98 LYS H H 1 7.428 0.020 A 98 LYS HA H 1 3.800 0.020 A 98 LYS HBy H 1 1.372 0.020 A 98 LYS HBx H 1 1.126 0.020 A 98 LYS HDy H 1 1.322 0.020 A 98 LYS HDx H 1 0.944 0.020 A 98 LYS HGx H 1 2.174 0.020 A 98 LYS CA C 13 59.360 0.400 A 98 LYS CB C 13 31.565 0.400 A 98 LYS CD C 13 24.844 0.400 A 98 LYS N N 15 120.043 0.400 A 99 PHE H H 1 7.977 0.020 A 99 PHE HA H 1 3.979 0.020 A 99 PHE HBx H 1 2.504 0.020 A 99 PHE HBy H 1 3.335 0.020 A 99 PHE HD1 H 1 6.913 0.020 A 99 PHE HD2 H 1 6.913 0.020 A 99 PHE HE1 H 1 6.354 0.020 A 99 PHE HE2 H 1 6.354 0.020 A 99 PHE HZ H 1 7.154 0.020 A 99 PHE CA C 13 62.485 0.400 A 99 PHE CB C 13 36.940 0.400 A 99 PHE N N 15 114.873 0.400 A 100 LYS H H 1 8.038 0.020 A 100 LYS HA H 1 4.755 0.020 A 100 LYS HEy H 1 2.692 0.020 A 100 LYS HEx H 1 2.539 0.020 A 100 LYS CA C 13 59.829 0.400 A 100 LYS CB C 13 32.395 0.400 A 100 LYS CE C 13 42.770 0.400 A 100 LYS N N 15 122.325 0.400 A 101 ASN H H 1 8.240 0.020 A 101 ASN HA H 1 4.592 0.020 A 101 ASN HBy H 1 3.245 0.020 A 101 ASN HBx H 1 2.949 0.020 A 101 ASN HD2y H 1 7.303 0.020 A 101 ASN HD2x H 1 7.026 0.020 A 101 ASN CA C 13 55.123 0.400 A 101 ASN CB C 13 38.098 0.400 A 101 ASN N N 15 117.649 0.400 A 101 ASN ND2 N 15 112.448 0.400 A 102 LYS H H 1 7.535 0.020 A 102 LYS HA H 1 4.628 0.020 A 102 LYS CA C 13 56.149 0.400 A 102 LYS CB C 13 33.258 0.400 A 102 LYS N N 15 117.674 0.400 A 103 GLY H H 1 7.665 0.020 A 103 GLY HAy H 1 4.074 0.020 A 103 GLY HAx H 1 3.743 0.020 A 103 GLY CA C 13 45.565 0.400 A 103 GLY N N 15 105.411 0.400 A 104 PHE H H 1 7.470 0.020 A 104 PHE HA H 1 4.324 0.020 A 104 PHE HBy H 1 2.640 0.020 A 104 PHE HBx H 1 2.393 0.020 A 104 PHE HD1 H 1 7.043 0.020 A 104 PHE HD2 H 1 7.043 0.020 A 104 PHE CA C 13 58.698 0.400 A 104 PHE CB C 13 39.407 0.400 A 104 PHE N N 15 116.783 0.400 A 105 LYS H H 1 8.395 0.020 A 105 LYS HA H 1 4.513 0.020 A 105 LYS HB2 H 1 1.887 0.020 A 105 LYS HB3 H 1 1.887 0.020 A 105 LYS HDy H 1 1.531 0.020 A 105 LYS HDx H 1 1.341 0.020 A 105 LYS HE2 H 1 1.352 0.020 A 105 LYS HGx H 1 1.536 0.020 A 105 LYS HGy H 1 1.624 0.020 A 105 LYS CA C 13 56.116 0.400 A 105 LYS CB C 13 32.611 0.400 A 105 LYS CG C 13 24.960 0.400 A 105 LYS N N 15 123.454 0.400 A 106 VAL H H 1 8.556 0.020 A 106 VAL HA H 1 4.816 0.020 A 106 VAL HB H 1 1.796 0.020 A 106 VAL HGx% H 1 0.874 0.020 A 106 VAL HGy% H 1 0.654 0.020 A 106 VAL CA C 13 61.533 0.400 A 106 VAL CB C 13 34.602 0.400 A 106 VAL CG1 C 13 21.700 0.400 A 106 VAL CG2 C 13 21.235 0.400 A 106 VAL N N 15 126.707 0.400 A 107 GLU H H 1 8.683 0.020 A 107 GLU HA H 1 4.798 0.020 A 107 GLU HBy H 1 2.015 0.020 A 107 GLU HBx H 1 1.909 0.020 A 107 GLU HG2 H 1 2.203 0.020 A 107 GLU HG3 H 1 2.203 0.020 A 107 GLU CA C 13 54.591 0.400 A 107 GLU CB C 13 32.080 0.400 A 107 GLU CG C 13 35.939 0.400 A 107 GLU N N 15 128.754 0.400 A 108 THR H H 1 8.668 0.020 A 108 THR HA H 1 5.240 0.020 A 108 THR HB H 1 3.967 0.020 A 108 THR HG2% H 1 1.027 0.020 A 108 THR CA C 13 59.429 0.400 A 108 THR CB C 13 71.564 0.400 A 108 THR CG2 C 13 21.592 0.400 A 108 THR N N 15 114.082 0.400 A 109 ASP H H 1 8.610 0.020 A 109 ASP HA H 1 4.806 0.020 A 109 ASP HBy H 1 2.794 0.020 A 109 ASP HBx H 1 2.600 0.020 A 109 ASP CA C 13 53.488 0.400 A 109 ASP CB C 13 41.795 0.400 A 109 ASP N N 15 123.043 0.400 A 110 MET H H 1 8.636 0.020 A 110 MET HA H 1 5.059 0.020 A 110 MET HBx H 1 1.976 0.020 A 110 MET HBy H 1 2.166 0.020 A 110 MET HGx H 1 2.462 0.020 A 110 MET HGy H 1 2.636 0.020 A 110 MET CA C 13 53.355 0.400 A 110 MET CB C 13 32.447 0.400 A 110 MET N N 15 121.217 0.400 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type lower-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 25 ARG O A 29 SER N 1.0 2.7 . 2 2 A 26 PHE O A 30 PHE H 1.0 1.8 . 3 3 A 26 PHE O A 30 PHE N 1.0 2.7 . 4 4 A 27 LEU O A 31 SER H 1.0 1.8 . 5 5 A 27 LEU O A 31 SER N 1.0 2.7 . 6 6 A 28 GLU O A 32 GLU H 1.0 1.8 . 7 7 A 28 GLU O A 32 GLU N 1.0 2.7 . 8 8 A 29 SER O A 33 LEU H 1.0 1.8 . 9 9 A 29 SER O A 33 LEU N 1.0 2.7 . 10 10 A 30 PHE O A 34 TYR H 1.0 1.8 . 11 11 A 30 PHE O A 34 TYR N 1.0 2.7 . 12 12 A 32 GLU O A 36 ILE H 1.0 1.8 . 13 13 A 32 GLU O A 36 ILE N 1.0 2.7 . 14 14 A 33 LEU O A 37 ILE H 1.0 1.8 . 15 15 A 33 LEU O A 37 ILE N 1.0 2.7 . 16 16 A 45 MET O A 49 ILE H 1.0 1.8 . 17 17 A 45 MET O A 49 ILE N 1.0 2.7 . 18 18 A 46 MET O A 50 SER H 1.0 1.8 . 19 19 A 46 MET O A 50 SER N 1.0 2.7 . 20 20 A 47 ASP O A 51 ARG H 1.0 1.8 . 21 21 A 47 ASP O A 51 ARG N 1.0 2.7 . 22 22 A 48 PHE O A 52 PHE H 1.0 1.8 . 23 23 A 48 PHE O A 52 PHE N 1.0 2.7 . 24 24 A 49 ILE O A 53 ALA H 1.0 1.8 . 25 25 A 49 ILE O A 53 ALA N 1.0 2.7 . 26 26 A 88 MET O A 92 ILE H 1.0 1.8 . 27 27 A 88 MET O A 92 ILE N 1.0 2.7 . 28 28 A 89 LYS O A 93 LYS H 1.0 1.8 . 29 29 A 89 LYS O A 93 LYS N 1.0 2.7 . 30 30 A 90 LYS O A 94 ALA H 1.0 1.8 . 31 31 A 90 LYS O A 94 ALA N 1.0 2.7 . 32 32 A 91 VAL O A 95 THR H 1.0 1.8 . 33 33 A 91 VAL O A 95 THR N 1.0 2.7 . 34 34 A 92 ILE O A 96 ALA H 1.0 1.8 . 35 35 A 92 ILE O A 96 ALA N 1.0 2.7 . 36 36 A 93 LYS O A 97 GLU H 1.0 1.8 . 37 37 A 93 LYS O A 97 GLU N 1.0 2.7 . 38 38 A 94 ALA O A 98 LYS H 1.0 1.8 . 39 39 A 94 ALA O A 98 LYS N 1.0 2.7 . stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 25 ARG O A 29 SER N 1.0 . 3.0 2 2 A 26 PHE O A 30 PHE H 1.0 . 2.0 3 3 A 26 PHE O A 30 PHE N 1.0 . 3.0 4 4 A 27 LEU O A 31 SER H 1.0 . 2.0 5 5 A 27 LEU O A 31 SER N 1.0 . 3.0 6 6 A 28 GLU O A 32 GLU H 1.0 . 2.0 7 7 A 28 GLU O A 32 GLU N 1.0 . 3.0 8 8 A 29 SER O A 33 LEU H 1.0 . 2.0 9 9 A 29 SER O A 33 LEU N 1.0 . 3.0 10 10 A 30 PHE O A 34 TYR H 1.0 . 2.0 11 11 A 30 PHE O A 34 TYR N 1.0 . 3.0 12 12 A 32 GLU O A 36 ILE H 1.0 . 2.0 13 13 A 32 GLU O A 36 ILE N 1.0 . 3.0 14 14 A 33 LEU O A 37 ILE H 1.0 . 2.0 15 15 A 33 LEU O A 37 ILE N 1.0 . 3.0 16 16 A 45 MET O A 49 ILE H 1.0 . 2.0 17 17 A 45 MET O A 49 ILE N 1.0 . 3.0 18 18 A 46 MET O A 50 SER H 1.0 . 2.0 19 19 A 46 MET O A 50 SER N 1.0 . 3.0 20 20 A 47 ASP O A 51 ARG H 1.0 . 2.0 21 21 A 47 ASP O A 51 ARG N 1.0 . 3.0 22 22 A 48 PHE O A 52 PHE H 1.0 . 2.0 23 23 A 48 PHE O A 52 PHE N 1.0 . 3.0 24 24 A 49 ILE O A 53 ALA H 1.0 . 2.0 25 25 A 49 ILE O A 53 ALA N 1.0 . 3.0 26 26 A 88 MET O A 92 ILE H 1.0 . 2.0 27 27 A 88 MET O A 92 ILE N 1.0 . 3.0 28 28 A 89 LYS O A 93 LYS H 1.0 . 2.0 29 29 A 89 LYS O A 93 LYS N 1.0 . 3.0 30 30 A 90 LYS O A 94 ALA H 1.0 . 2.0 31 31 A 90 LYS O A 94 ALA N 1.0 . 3.0 32 32 A 91 VAL O A 95 THR H 1.0 . 2.0 33 33 A 91 VAL O A 95 THR N 1.0 . 3.0 34 34 A 92 ILE O A 96 ALA H 1.0 . 2.0 35 35 A 92 ILE O A 96 ALA N 1.0 . 3.0 36 36 A 93 LYS O A 97 GLU H 1.0 . 2.0 37 37 A 93 LYS O A 97 GLU N 1.0 . 3.0 38 38 A 94 ALA O A 98 LYS H 1.0 . 2.0 39 39 A 94 ALA O A 98 LYS N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 4 CYS N A 63 LYS O 1.0 . 3.0 2 2 A 5 ALA H A 21 VAL O 1.0 . 2.0 3 3 A 21 VAL O A 5 ALA N 1.0 . 3.0 4 4 A 6 MET H A 66 GLY O 1.0 . 2.0 5 5 A 66 GLY O A 6 MET N 1.0 . 3.0 6 6 A 7 TYR H A 19 ILE O 1.0 . 2.0 7 7 A 19 ILE O A 7 TYR N 1.0 . 3.0 8 8 A 8 ASN H A 68 VAL O 1.0 . 2.0 9 9 A 68 VAL O A 8 ASN N 1.0 . 3.0 10 10 A 9 ILE H A 17 THR O 1.0 . 2.0 11 11 A 17 THR O A 9 ILE N 1.0 . 3.0 12 12 A 10 SER H A 70 VAL O 1.0 . 2.0 13 13 A 70 VAL O A 10 SER N 1.0 . 3.0 14 14 A 9 ILE O A 17 THR H 1.0 . 2.0 15 15 A 9 ILE O A 17 THR N 1.0 . 3.0 16 16 A 5 ALA O A 21 VAL H 1.0 . 2.0 17 17 A 5 ALA O A 21 VAL N 1.0 . 3.0 18 18 A 3 LEU O A 23 MET H 1.0 . 2.0 19 19 A 3 LEU O A 23 MET N 1.0 . 3.0 20 20 A 48 PHE O A 52 PHE H 1.0 . 2.0 21 21 A 48 PHE O A 52 PHE N 1.0 . 3.0 22 22 A 49 ILE O A 53 ALA H 1.0 . 2.0 23 23 A 49 ILE O A 53 ALA N 1.0 . 3.0 24 24 A 2 THR O A 63 LYS H 1.0 . 2.0 25 25 A 2 THR O A 63 LYS N 1.0 . 3.0 26 26 A 4 CYS O A 65 VAL H 1.0 . 2.0 27 27 A 4 CYS O A 65 VAL N 1.0 . 3.0 28 28 A 67 PHE H A 80 SER O 1.0 . 2.0 29 29 A 80 SER O A 67 PHE N 1.0 . 3.0 30 30 A 6 MET O A 68 VAL H 1.0 . 2.0 31 31 A 6 MET O A 68 VAL N 1.0 . 3.0 32 32 A 69 VAL H A 78 SER O 1.0 . 2.0 33 33 A 78 SER O A 69 VAL N 1.0 . 3.0 34 34 A 71 ASN H A 76 LEU O 1.0 . 2.0 35 35 A 76 LEU O A 71 ASN N 1.0 . 3.0 36 36 A 10 SER O A 72 ALA H 1.0 . 2.0 37 37 A 10 SER O A 72 ALA N 1.0 . 3.0 38 38 A 71 ASN O A 76 LEU H 1.0 . 2.0 39 39 A 71 ASN O A 76 LEU N 1.0 . 3.0 40 40 A 77 MET H A 105 LYS O 1.0 . 2.0 41 41 A 105 LYS O A 77 MET N 1.0 . 3.0 42 42 A 69 VAL O A 78 SER H 1.0 . 2.0 43 43 A 69 VAL O A 78 SER N 1.0 . 3.0 44 44 A 79 VAL H A 107 GLU O 1.0 . 2.0 45 45 A 107 GLU O A 79 VAL N 1.0 . 3.0 46 46 A 67 PHE O A 80 SER H 1.0 . 2.0 47 47 A 67 PHE O A 80 SER N 1.0 . 3.0 48 48 A 65 VAL O A 82 SER H 1.0 . 2.0 49 49 A 65 VAL O A 82 SER N 1.0 . 3.0 50 50 A 89 LYS O A 93 LYS H 1.0 . 2.0 51 51 A 89 LYS O A 93 LYS N 1.0 . 3.0 52 52 A 77 MET O A 107 GLU H 1.0 . 2.0 53 53 A 77 MET O A 107 GLU N 1.0 . 3.0 54 54 A 79 VAL O A 109 ASP H 1.0 . 2.0 55 55 A 79 VAL O A 109 ASP N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type lower-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 4 CYS N A 63 LYS O 1.0 2.7 . 2 2 A 5 ALA H A 21 VAL O 1.0 1.8 . 3 3 A 21 VAL O A 5 ALA N 1.0 2.7 . 4 4 A 6 MET H A 66 GLY O 1.0 1.8 . 5 5 A 66 GLY O A 6 MET N 1.0 2.7 . 6 6 A 7 TYR H A 19 ILE O 1.0 1.8 . 7 7 A 19 ILE O A 7 TYR N 1.0 2.7 . 8 8 A 8 ASN H A 68 VAL O 1.0 1.8 . 9 9 A 68 VAL O A 8 ASN N 1.0 2.7 . 10 10 A 9 ILE H A 17 THR O 1.0 1.8 . 11 11 A 17 THR O A 9 ILE N 1.0 2.7 . 12 12 A 10 SER H A 70 VAL O 1.0 1.8 . 13 13 A 70 VAL O A 10 SER N 1.0 2.7 . 14 14 A 9 ILE O A 17 THR H 1.0 1.8 . 15 15 A 9 ILE O A 17 THR N 1.0 2.7 . 16 16 A 5 ALA O A 21 VAL H 1.0 1.8 . 17 17 A 5 ALA O A 21 VAL N 1.0 2.7 . 18 18 A 3 LEU O A 24 ASP H 1.0 1.8 . 19 19 A 3 LEU O A 24 ASP N 1.0 2.7 . 20 20 A 48 PHE O A 52 PHE H 1.0 1.8 . 21 21 A 48 PHE O A 52 PHE N 1.0 2.7 . 22 22 A 49 ILE O A 53 ALA H 1.0 1.8 . 23 23 A 49 ILE O A 53 ALA N 1.0 2.7 . 24 24 A 2 THR O A 63 LYS H 1.0 1.8 . 25 25 A 2 THR O A 63 LYS N 1.0 2.7 . 26 26 A 4 CYS O A 65 VAL H 1.0 1.8 . 27 27 A 4 CYS O A 65 VAL N 1.0 2.7 . 28 28 A 67 PHE H A 80 SER O 1.0 1.8 . 29 29 A 80 SER O A 67 PHE N 1.0 2.7 . 30 30 A 6 MET O A 68 VAL H 1.0 1.8 . 31 31 A 6 MET O A 68 VAL N 1.0 2.7 . 32 32 A 69 VAL H A 78 SER O 1.0 1.8 . 33 33 A 78 SER O A 69 VAL N 1.0 2.7 . 34 34 A 71 ASN H A 76 LEU O 1.0 1.8 . 35 35 A 76 LEU O A 71 ASN N 1.0 2.7 . 36 36 A 10 SER O A 72 ALA H 1.0 1.8 . 37 37 A 10 SER O A 72 ALA N 1.0 2.7 . 38 38 A 71 ASN O A 76 LEU H 1.0 1.8 . 39 39 A 71 ASN O A 76 LEU N 1.0 2.7 . 40 40 A 77 MET H A 105 LYS O 1.0 1.8 . 41 41 A 105 LYS O A 77 MET N 1.0 2.7 . 42 42 A 69 VAL O A 78 SER H 1.0 1.8 . 43 43 A 69 VAL O A 78 SER N 1.0 2.7 . 44 44 A 79 VAL H A 107 GLU O 1.0 1.8 . 45 45 A 107 GLU O A 79 VAL N 1.0 2.7 . 46 46 A 67 PHE O A 80 SER H 1.0 1.8 . 47 47 A 67 PHE O A 80 SER N 1.0 2.7 . 48 48 A 65 VAL O A 82 SER H 1.0 1.8 . 49 49 A 65 VAL O A 82 SER N 1.0 2.7 . 50 50 A 89 LYS O A 93 LYS H 1.0 1.8 . 51 51 A 89 LYS O A 93 LYS N 1.0 2.7 . 52 52 A 100 LYS O A 104 PHE H 1.0 1.8 . 53 53 A 100 LYS O A 104 PHE N 1.0 2.7 . 54 54 A 77 MET O A 107 GLU H 1.0 1.8 . 55 55 A 77 MET O A 107 GLU N 1.0 2.7 . 56 56 A 79 VAL O A 109 ASP H 1.0 1.8 . 57 57 A 79 VAL O A 109 ASP N 1.0 2.7 . stop_ save_ save_DYANA/DIANA_dihedral_7 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_7 _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 THR N A 2 THR CA A 2 THR C A 3 LEU N 1.0 108.0 148.0 PSI 2 2 A 2 THR C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -126.5 -69.8 PHI 3 3 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 CYS N 1.0 107.6 161.7 PSI 4 4 A 3 LEU C A 4 CYS N A 4 CYS CA A 4 CYS C 1.0 -161.2 -104.9 PHI 5 5 A 4 CYS N A 4 CYS CA A 4 CYS C A 5 ALA N 1.0 133.4 176.9 PSI 6 6 A 4 CYS C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -176.0 -73.9 PHI 7 7 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 MET N 1.0 103.6 176.1 PSI 8 8 A 5 ALA C A 6 MET N A 6 MET CA A 6 MET C 1.0 -123.1 -94.1 PHI 9 9 A 6 MET N A 6 MET CA A 6 MET C A 7 TYR N 1.0 96.7 167.8 PSI 10 10 A 6 MET C A 7 TYR N A 7 TYR CA A 7 TYR C 1.0 -140.5 -93.7 PHI 11 11 A 7 TYR N A 7 TYR CA A 7 TYR C A 8 ASN N 1.0 106.5 172.1 PSI 12 12 A 7 TYR C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -156.3 -66.2 PHI 13 13 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 ILE N 1.0 91.1 159.1 PSI 14 14 A 8 ASN C A 9 ILE N A 9 ILE CA A 9 ILE C 1.0 -152.1 -89.8 PHI 15 15 A 9 ILE N A 9 ILE CA A 9 ILE C A 10 SER N 1.0 101.5 152.5 PSI 16 16 A 9 ILE C A 10 SER N A 10 SER CA A 10 SER C 1.0 -134.0 -82.0 PHI 17 17 A 10 SER N A 10 SER CA A 10 SER C A 11 MET N 1.0 86.0 178.0 PSI 18 18 A 10 SER C A 11 MET N A 11 MET CA A 11 MET C 1.0 -133.6 -48.3 PHI 19 19 A 11 MET N A 11 MET CA A 11 MET C A 12 ALA N 1.0 103.9 176.6 PSI 20 20 A 16 PRO C A 17 THR N A 17 THR CA A 17 THR C 1.0 -136.0 -64.0 PHI 21 21 A 17 THR N A 17 THR CA A 17 THR C A 18 THR N 1.0 107.0 147.0 PSI 22 22 A 17 THR C A 18 THR N A 18 THR CA A 18 THR C 1.0 -137.0 -77.0 PHI 23 23 A 18 THR N A 18 THR CA A 18 THR C A 19 ILE N 1.0 107.0 163.0 PSI 24 24 A 18 THR C A 19 ILE N A 19 ILE CA A 19 ILE C 1.0 -154.0 -74.0 PHI 25 25 A 19 ILE N A 19 ILE CA A 19 ILE C A 20 CYS N 1.0 80.0 180.0 PSI 26 26 A 20 CYS C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -153.0 -97.0 PHI 27 27 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 VAL N 1.0 109.0 165.0 PSI 28 28 A 21 VAL C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -132.0 -52.0 PHI 29 29 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 MET N 1.0 76.0 188.0 PSI 30 30 A 22 VAL C A 23 MET N A 23 MET CA A 23 MET C 1.0 -81.0 -53.0 PHI 31 31 A 23 MET N A 23 MET CA A 23 MET C A 24 ASP N 1.0 -53.0 -13.0 PSI 32 32 A 23 MET C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -137.0 23.0 PHI 33 33 A 24 ASP N A 24 ASP CA A 24 ASP C A 25 ARG N 1.0 -73.0 23.0 PSI 34 34 A 24 ASP C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -124.0 -56.0 PHI 35 35 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 PHE N 1.0 -65.0 19.0 PSI 36 36 A 25 ARG C A 26 PHE N A 26 PHE CA A 26 PHE C 1.0 -88.0 -40.0 PHI 37 37 A 26 PHE N A 26 PHE CA A 26 PHE C A 27 LEU N 1.0 -56.0 -24.0 PSI 38 38 A 26 PHE C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -76.0 -56.0 PHI 39 39 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 GLU N 1.0 -55.0 -23.0 PSI 40 40 A 27 LEU C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -81.0 -53.0 PHI 41 41 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 SER N 1.0 -51.0 -31.0 PSI 42 42 A 28 GLU C A 29 SER N A 29 SER CA A 29 SER C 1.0 -86.0 -50.0 PHI 43 43 A 29 SER N A 29 SER CA A 29 SER C A 30 PHE N 1.0 -57.0 -13.0 PSI 44 44 A 29 SER C A 30 PHE N A 30 PHE CA A 30 PHE C 1.0 -100.0 -60.0 PHI 45 45 A 30 PHE N A 30 PHE CA A 30 PHE C A 31 SER N 1.0 -42.0 -6.0 PSI 46 46 A 30 PHE C A 31 SER N A 31 SER CA A 31 SER C 1.0 -82.0 -46.0 PHI 47 47 A 31 SER N A 31 SER CA A 31 SER C A 32 GLU N 1.0 -57.0 -17.0 PSI 48 48 A 31 SER C A 32 GLU N A 32 GLU CA A 32 GLU C 1.0 -80.0 -60.0 PHI 49 49 A 32 GLU N A 32 GLU CA A 32 GLU C A 33 LEU N 1.0 -50.0 -30.0 PSI 50 50 A 32 GLU C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -82.0 -54.0 PHI 51 51 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 TYR N 1.0 -55.0 -27.0 PSI 52 52 A 33 LEU C A 34 TYR N A 34 TYR CA A 34 TYR C 1.0 -84.0 -52.0 PHI 53 53 A 34 TYR N A 34 TYR CA A 34 TYR C A 35 ASP N 1.0 -54.0 -22.0 PSI 54 54 A 34 TYR C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -96.0 -40.0 PHI 55 55 A 35 ASP N A 35 ASP CA A 35 ASP C A 36 ILE N 1.0 -65.0 -1.0 PSI 56 56 A 40 ASN C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -110.0 -46.0 PHI 57 57 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 THR N 1.0 80.0 176.0 PSI 58 58 A 41 ASP C A 42 THR N A 42 THR CA A 42 THR C 1.0 -85.0 -49.0 PHI 59 59 A 42 THR N A 42 THR CA A 42 THR C A 43 ASP N 1.0 -58.0 -10.0 PSI 60 60 A 42 THR C A 43 ASP N A 43 ASP CA A 43 ASP C 1.0 -82.0 -54.0 PHI 61 61 A 43 ASP N A 43 ASP CA A 43 ASP C A 44 VAL N 1.0 -71.0 -11.0 PSI 62 62 A 43 ASP C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -91.0 -39.0 PHI 63 63 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 MET N 1.0 -52.0 -16.0 PSI 64 64 A 44 VAL C A 45 MET N A 45 MET CA A 45 MET C 1.0 -77.0 -53.0 PHI 65 65 A 45 MET N A 45 MET CA A 45 MET C A 46 MET N 1.0 -52.0 -20.0 PSI 66 66 A 45 MET C A 46 MET N A 46 MET CA A 46 MET C 1.0 -73.0 -49.0 PHI 67 67 A 46 MET N A 46 MET CA A 46 MET C A 47 ASP N 1.0 -63.0 -23.0 PSI 68 68 A 46 MET C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -76.0 -48.0 PHI 69 69 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 PHE N 1.0 -50.0 -30.0 PSI 70 70 A 47 ASP C A 48 PHE N A 48 PHE CA A 48 PHE C 1.0 -78.0 -58.0 PHI 71 71 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 ILE N 1.0 -55.0 -31.0 PSI 72 72 A 48 PHE C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -75.0 -55.0 PHI 73 73 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 SER N 1.0 -61.0 -25.0 PSI 74 74 A 50 SER C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -117.0 -33.0 PHI 75 75 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 PHE N 1.0 -48.0 -8.0 PSI 76 76 A 51 ARG C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -128.0 -28.0 PHI 77 77 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 ALA N 1.0 -65.0 19.0 PSI 78 78 A 57 GLU C A 58 ILE N A 58 ILE CA A 58 ILE C 1.0 -115.0 -55.0 PHI 79 79 A 58 ILE N A 58 ILE CA A 58 ILE C A 59 MET N 1.0 108.0 152.0 PSI 80 80 A 62 ASP C A 63 LYS N A 63 LYS CA A 63 LYS C 1.0 -156.0 -92.0 PHI 81 81 A 63 LYS N A 63 LYS CA A 63 LYS C A 64 THR N 1.0 99.0 179.0 PSI 82 82 A 63 LYS C A 64 THR N A 64 THR CA A 64 THR C 1.0 -132.0 -44.0 PHI 83 83 A 64 THR N A 64 THR CA A 64 THR C A 65 VAL N 1.0 102.0 154.0 PSI 84 84 A 66 GLY C A 67 PHE N A 67 PHE CA A 67 PHE C 1.0 -150.0 -102.0 PHI 85 85 A 67 PHE N A 67 PHE CA A 67 PHE C A 68 VAL N 1.0 103.0 183.0 PSI 86 86 A 67 PHE C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -131.0 -83.0 PHI 87 87 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 VAL N 1.0 102.0 138.0 PSI 88 88 A 68 VAL C A 69 VAL N A 69 VAL CA A 69 VAL C 1.0 -123.6 -86.8 PHI 89 89 A 69 VAL N A 69 VAL CA A 69 VAL C A 70 VAL N 1.0 115.5 138.3 PSI 90 90 A 69 VAL C A 70 VAL N A 70 VAL CA A 70 VAL C 1.0 -152.0 -84.0 PHI 91 91 A 70 VAL N A 70 VAL CA A 70 VAL C A 71 ASN N 1.0 110.0 162.0 PSI 92 92 A 70 VAL C A 71 ASN N A 71 ASN CA A 71 ASN C 1.0 -140.9 -59.6 PHI 93 93 A 71 ASN N A 71 ASN CA A 71 ASN C A 72 ALA N 1.0 79.9 171.5 PSI 94 94 A 72 ALA C A 73 ASP N A 73 ASP CA A 73 ASP C 1.0 -89.6 -50.2 PHI 95 95 A 73 ASP N A 73 ASP CA A 73 ASP C A 74 LYS N 1.0 -52.7 -5.8 PSI 96 96 A 73 ASP C A 74 LYS N A 74 LYS CA A 74 LYS C 1.0 -98.6 -74.6 PHI 97 97 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 LYS N 1.0 -46.5 29.4 PSI 98 98 A 75 LYS C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -155.8 -103.5 PHI 99 99 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 MET N 1.0 115.5 168.6 PSI 100 100 A 76 LEU C A 77 MET N A 77 MET CA A 77 MET C 1.0 -164.4 -83.6 PHI 101 101 A 77 MET N A 77 MET CA A 77 MET C A 78 SER N 1.0 95.6 158.5 PSI 102 102 A 77 MET C A 78 SER N A 78 SER CA A 78 SER C 1.0 -141.5 -77.1 PHI 103 103 A 78 SER N A 78 SER CA A 78 SER C A 79 VAL N 1.0 104.0 154.3 PSI 104 104 A 78 SER C A 79 VAL N A 79 VAL CA A 79 VAL C 1.0 -146.0 -94.0 PHI 105 105 A 79 VAL N A 79 VAL CA A 79 VAL C A 80 SER N 1.0 109.0 177.0 PSI 106 106 A 79 VAL C A 80 SER N A 80 SER CA A 80 SER C 1.0 -150.0 -58.0 PHI 107 107 A 80 SER N A 80 SER CA A 80 SER C A 81 PHE N 1.0 97.0 165.0 PSI 108 108 A 81 PHE C A 82 SER N A 82 SER CA A 82 SER C 1.0 -170.0 -26.0 PHI 109 109 A 82 SER N A 82 SER CA A 82 SER C A 83 ASP N 1.0 113.0 193.0 PSI 110 110 A 84 ILE C A 85 ASP N A 85 ASP CA A 85 ASP C 1.0 -151.0 -39.0 PHI 111 111 A 85 ASP N A 85 ASP CA A 85 ASP C A 86 GLU N 1.0 138.0 186.0 PSI 112 112 A 85 ASP C A 86 GLU N A 86 GLU CA A 86 GLU C 1.0 -75.0 -55.0 PHI 113 113 A 86 GLU N A 86 GLU CA A 86 GLU C A 87 ASN N 1.0 -60.0 -20.0 PSI 114 114 A 86 GLU C A 87 ASN N A 87 ASN CA A 87 ASN C 1.0 -79.0 -47.0 PHI 115 115 A 87 ASN N A 87 ASN CA A 87 ASN C A 88 MET N 1.0 -54.0 -22.0 PSI 116 116 A 87 ASN C A 88 MET N A 88 MET CA A 88 MET C 1.0 -77.0 -57.0 PHI 117 117 A 88 MET N A 88 MET CA A 88 MET C A 89 LYS N 1.0 -48.0 -28.0 PSI 118 118 A 88 MET C A 89 LYS N A 89 LYS CA A 89 LYS C 1.0 -77.0 -57.0 PHI 119 119 A 89 LYS N A 89 LYS CA A 89 LYS C A 90 LYS N 1.0 -54.0 -26.0 PSI 120 120 A 89 LYS C A 90 LYS N A 90 LYS CA A 90 LYS C 1.0 -78.0 -46.0 PHI 121 121 A 90 LYS N A 90 LYS CA A 90 LYS C A 91 VAL N 1.0 -55.0 -19.0 PSI 122 122 A 90 LYS C A 91 VAL N A 91 VAL CA A 91 VAL C 1.0 -81.0 -53.0 PHI 123 123 A 91 VAL N A 91 VAL CA A 91 VAL C A 92 ILE N 1.0 -56.0 -32.0 PSI 124 124 A 91 VAL C A 92 ILE N A 92 ILE CA A 92 ILE C 1.0 -82.0 -50.0 PHI 125 125 A 92 ILE N A 92 ILE CA A 92 ILE C A 93 LYS N 1.0 -56.0 -32.0 PSI 126 126 A 92 ILE C A 93 LYS N A 93 LYS CA A 93 LYS C 1.0 -72.0 -52.0 PHI 127 127 A 93 LYS N A 93 LYS CA A 93 LYS C A 94 ALA N 1.0 -72.0 -12.0 PSI 128 128 A 93 LYS C A 94 ALA N A 94 ALA CA A 94 ALA C 1.0 -78.0 -54.0 PHI 129 129 A 94 ALA N A 94 ALA CA A 94 ALA C A 95 THR N 1.0 -50.0 -30.0 PSI 130 130 A 94 ALA C A 95 THR N A 95 THR CA A 95 THR C 1.0 -83.0 -51.0 PHI 131 131 A 95 THR N A 95 THR CA A 95 THR C A 96 ALA N 1.0 -54.0 -22.0 PSI 132 132 A 95 THR C A 96 ALA N A 96 ALA CA A 96 ALA C 1.0 -79.0 -51.0 PHI 133 133 A 96 ALA N A 96 ALA CA A 96 ALA C A 97 GLU N 1.0 -60.0 -20.0 PSI 134 134 A 96 ALA C A 97 GLU N A 97 GLU CA A 97 GLU C 1.0 -75.0 -55.0 PHI 135 135 A 97 GLU N A 97 GLU CA A 97 GLU C A 98 LYS N 1.0 -76.0 0.0 PSI 136 136 A 97 GLU C A 98 LYS N A 98 LYS CA A 98 LYS C 1.0 -78.0 -54.0 PHI 137 137 A 98 LYS N A 98 LYS CA A 98 LYS C A 99 PHE N 1.0 -59.0 -27.0 PSI 138 138 A 98 LYS C A 99 PHE N A 99 PHE CA A 99 PHE C 1.0 -84.0 -56.0 PHI 139 139 A 99 PHE N A 99 PHE CA A 99 PHE C A 100 LYS N 1.0 -52.0 -24.0 PSI 140 140 A 99 PHE C A 100 LYS N A 100 LYS CA A 100 LYS C 1.0 -107.0 -23.0 PHI 141 141 A 100 LYS N A 100 LYS CA A 100 LYS C A 101 ASN N 1.0 -78.0 10.0 PSI 142 142 A 100 LYS C A 101 ASN N A 101 ASN CA A 101 ASN C 1.0 -114.0 -26.0 PHI 143 143 A 101 ASN N A 101 ASN CA A 101 ASN C A 102 LYS N 1.0 -74.0 38.0 PSI 144 144 A 101 ASN C A 102 LYS N A 102 LYS CA A 102 LYS C 1.0 -127.0 -67.0 PHI 145 145 A 102 LYS N A 102 LYS CA A 102 LYS C A 103 GLY N 1.0 -22.0 26.0 PSI 146 146 A 104 PHE C A 105 LYS N A 105 LYS CA A 105 LYS C 1.0 -144.0 -64.0 PHI 147 147 A 105 LYS N A 105 LYS CA A 105 LYS C A 106 VAL N 1.0 71.0 163.0 PSI 148 148 A 105 LYS C A 106 VAL N A 106 VAL CA A 106 VAL C 1.0 -151.0 -75.0 PHI 149 149 A 106 VAL N A 106 VAL CA A 106 VAL C A 107 GLU N 1.0 109.0 153.0 PSI 150 150 A 106 VAL C A 107 GLU N A 107 GLU CA A 107 GLU C 1.0 -151.0 -87.0 PHI 151 151 A 107 GLU N A 107 GLU CA A 107 GLU C A 108 THR N 1.0 110.0 162.0 PSI 152 152 A 107 GLU C A 108 THR N A 108 THR CA A 108 THR C 1.0 -151.0 -91.0 PHI 153 153 A 108 THR N A 108 THR CA A 108 THR C A 109 ASP N 1.0 115.0 171.0 PSI stop_ save_