data_nef_c17952_2ljp 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 1 MET start . . 2 A 2 VAL middle . . 3 A 3 LYS middle . . 4 A 4 LEU middle . . 5 A 5 ALA middle . . 6 A 6 PHE middle . . 7 A 7 PRO middle . false 8 A 8 ARG middle . . 9 A 9 GLU middle . . 10 A 10 LEU middle . . 11 A 11 ARG middle . . 12 A 12 LEU middle . . 13 A 13 LEU middle . . 14 A 14 THR middle . . 15 A 15 PRO middle . false 16 A 16 SER middle . . 17 A 17 GLN middle . . 18 A 18 PHE middle . . 19 A 19 THR middle . . 20 A 20 PHE middle . . 21 A 21 VAL middle . . 22 A 22 PHE middle . . 23 A 23 GLN middle . . 24 A 24 GLN middle . . 25 A 25 PRO middle . false 26 A 26 GLN middle . . 27 A 27 ARG middle . . 28 A 28 ALA middle . . 29 A 29 GLY middle . false 30 A 30 THR middle . . 31 A 31 PRO middle . false 32 A 32 GLN middle . . 33 A 33 ILE middle . . 34 A 34 THR middle . . 35 A 35 ILE middle . . 36 A 36 LEU middle . . 37 A 37 GLY middle . false 38 A 38 ARG middle . . 39 A 39 LEU middle . . 40 A 40 ASN middle . . 41 A 41 SER middle . . 42 A 42 LEU middle . . 43 A 43 GLY middle . false 44 A 44 HIS middle . . 45 A 45 PRO middle . false 46 A 46 ARG middle . . 47 A 47 ILE middle . . 48 A 48 GLY middle . false 49 A 49 LEU middle . . 50 A 50 THR middle . . 51 A 51 VAL middle . . 52 A 52 ALA middle . . 53 A 53 LYS middle . . 54 A 54 LYS middle . . 55 A 55 ASN middle . . 56 A 56 VAL middle . . 57 A 57 ARG middle . . 58 A 58 ARG middle . . 59 A 59 ALA middle . . 60 A 60 HIS middle . . 61 A 61 GLU middle . . 62 A 62 ARG middle . . 63 A 63 ASN middle . . 64 A 64 ARG middle . . 65 A 65 ILE middle . . 66 A 66 LYS middle . . 67 A 67 ARG middle . . 68 A 68 LEU middle . . 69 A 69 THR middle . . 70 A 70 ARG middle . . 71 A 71 GLU middle . . 72 A 72 SER middle . . 73 A 73 PHE middle . . 74 A 74 ARG middle . . 75 A 75 LEU middle . . 76 A 76 ARG middle . . 77 A 77 GLN middle . . 78 A 78 HIS middle . . 79 A 79 GLU middle . . 80 A 80 LEU middle . . 81 A 81 PRO middle . false 82 A 82 ALA middle . . 83 A 83 MET middle . . 84 A 84 ASP middle . . 85 A 85 PHE middle . . 86 A 86 VAL middle . . 87 A 87 VAL middle . . 88 A 88 VAL middle . . 89 A 89 ALA middle . . 90 A 90 LYS middle . . 91 A 91 LYS middle . . 92 A 92 GLY middle . false 93 A 93 VAL middle . . 94 A 94 ALA middle . . 95 A 95 ASP middle . . 96 A 96 LEU middle . . 97 A 97 ASP middle . . 98 A 98 ASN middle . . 99 A 99 ARG middle . . 100 A 100 ALA middle . . 101 A 101 LEU middle . . 102 A 102 SER middle . . 103 A 103 GLU middle . . 104 A 104 ALA middle . . 105 A 105 LEU middle . . 106 A 106 GLU middle . . 107 A 107 LYS middle . . 108 A 108 LEU middle . . 109 A 109 TRP middle . . 110 A 110 ARG middle . . 111 A 111 ARG middle . . 112 A 112 HIS middle . . 113 A 113 CYS middle . . 114 A 114 ARG middle . . 115 A 115 LEU middle . . 116 A 116 ALA middle . . 117 A 117 ARG middle . . 118 A 118 GLY middle . false 119 A 119 SER 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 3 LYS CA C 13 56.191 0.3 A 3 LYS CB C 13 32.966 0.3 A 3 LYS CD C 13 29.129 0.3 A 3 LYS CE C 13 42.235 0.3 A 3 LYS CG C 13 24.669 0.3 A 4 LEU H H 1 8.498 0.002 A 4 LEU HA H 1 4.387 0.004 A 4 LEU HBy H 1 1.631 0.001 A 4 LEU HBx H 1 1.602 0.008 A 4 LEU HDy% H 1 0.893 0.1 A 4 LEU HG H 1 1.655 0.1 A 4 LEU CA C 13 54.667 0.3 A 4 LEU CB C 13 42.618 0.3 A 4 LEU CDy C 13 24.947 0.3 A 4 LEU CDx C 13 23.428 0.3 A 4 LEU CG C 13 26.928 0.3 A 4 LEU N N 15 125.667 0.022 A 5 ALA H H 1 8.435 0.004 A 5 ALA HA H 1 4.371 0.1 A 5 ALA HB% H 1 1.371 0.001 A 5 ALA CB C 13 19.337 0.3 A 5 ALA N N 15 126.419 0.103 A 6 PHE H H 1 8.714 0.020 A 6 PHE N N 15 124.718 0.089 A 7 PRO HA H 1 4.236 0.002 A 7 PRO HBy H 1 2.323 0.1 A 7 PRO HBx H 1 1.642 0.1 A 7 PRO HGx H 1 1.853 0.1 A 7 PRO CA C 13 63.736 0.3 A 7 PRO CB C 13 32.402 0.3 A 7 PRO CG C 13 27.255 0.3 A 8 ARG H H 1 8.650 0.007 A 8 ARG HA H 1 3.784 0.009 A 8 ARG HBx H 1 1.869 0.009 A 8 ARG HBy H 1 1.869 0.009 A 8 ARG HGy H 1 1.700 0.1 A 8 ARG CA C 13 59.972 0.3 A 8 ARG CB C 13 30.256 0.3 A 8 ARG CD C 13 43.325 0.3 A 8 ARG CG C 13 27.895 0.3 A 8 ARG N N 15 124.351 0.047 A 9 GLU H H 1 9.522 0.014 A 9 GLU HA H 1 4.241 0.002 A 9 GLU HBx H 1 2.055 0.006 A 9 GLU HBy H 1 2.055 0.006 A 9 GLU CA C 13 58.536 0.3 A 9 GLU CB C 13 28.286 0.3 A 9 GLU CG C 13 35.904 0.3 A 9 GLU N N 15 117.015 0.089 A 10 LEU H H 1 7.285 0.017 A 10 LEU HA H 1 4.682 0.004 A 10 LEU HBx H 1 1.918 0.1 A 10 LEU CA C 13 54.324 0.3 A 10 LEU CB C 13 42.305 0.3 A 10 LEU CDy C 13 27.419 0.3 A 10 LEU CDx C 13 25.643 0.3 A 10 LEU CG C 13 33.263 0.3 A 10 LEU N N 15 116.269 0.093 A 11 ARG H H 1 7.618 0.012 A 11 ARG HA H 1 5.045 0.011 A 11 ARG CA C 13 55.671 0.3 A 11 ARG CB C 13 32.827 0.3 A 11 ARG CD C 13 44.338 0.3 A 11 ARG CG C 13 27.378 0.3 A 11 ARG N N 15 116.982 0.037 A 12 LEU H H 1 7.289 0.007 A 12 LEU HA H 1 4.329 0.008 A 12 LEU CA C 13 54.115 0.3 A 12 LEU CB C 13 41.683 0.3 A 12 LEU CDy C 13 25.656 0.3 A 12 LEU N N 15 119.127 0.030 A 13 LEU H H 1 8.816 0.003 A 13 LEU HA H 1 4.747 0.005 A 13 LEU HBy H 1 1.829 0.005 A 13 LEU HBx H 1 1.674 0.003 A 13 LEU CA C 13 56.190 0.3 A 13 LEU CB C 13 46.234 0.3 A 13 LEU CDx C 13 23.439 0.3 A 13 LEU CG C 13 25.502 0.3 A 13 LEU N N 15 123.181 0.078 A 14 THR H H 1 8.321 0.004 A 14 THR HA H 1 5.104 0.005 A 14 THR HG2% H 1 1.219 0.1 A 14 THR N N 15 111.810 0.087 A 16 SER HA H 1 4.282 0.1 A 16 SER HBx H 1 3.926 0.011 A 16 SER HBy H 1 3.926 0.011 A 16 SER CB C 13 62.228 0.3 A 17 GLN H H 1 7.967 0.003 A 17 GLN HA H 1 4.078 0.004 A 17 GLN CA C 13 58.122 0.3 A 17 GLN CB C 13 29.103 0.3 A 17 GLN CG C 13 34.712 0.3 A 17 GLN N N 15 122.336 0.066 A 18 PHE H H 1 7.733 0.002 A 18 PHE HBy H 1 3.418 0.005 A 18 PHE HBx H 1 2.821 0.005 A 18 PHE CA C 13 61.640 0.3 A 18 PHE CB C 13 38.490 0.3 A 18 PHE N N 15 119.658 0.053 A 19 THR H H 1 8.622 0.003 A 19 THR HA H 1 3.911 0.010 A 19 THR HB H 1 4.260 0.002 A 19 THR HG2% H 1 1.294 0.002 A 19 THR CA C 13 67.058 0.3 A 19 THR CB C 13 68.790 0.3 A 19 THR CG2 C 13 22.224 0.3 A 19 THR N N 15 116.141 0.090 A 20 PHE H H 1 7.728 0.003 A 20 PHE HA H 1 4.149 0.010 A 20 PHE HBy H 1 3.307 0.003 A 20 PHE HBx H 1 3.043 0.005 A 20 PHE CB C 13 39.260 0.3 A 20 PHE N N 15 119.904 0.057 A 21 VAL H H 1 6.861 0.005 A 21 VAL HA H 1 3.082 0.008 A 21 VAL HB H 1 1.922 0.003 A 21 VAL HGx% H 1 0.944 0.001 A 21 VAL HGy% H 1 0.543 0.005 A 21 VAL CA C 13 66.336 0.3 A 21 VAL CB C 13 31.589 0.3 A 21 VAL CGx C 13 21.380 0.3 A 21 VAL CGy C 13 23.607 0.3 A 21 VAL N N 15 117.896 0.064 A 22 PHE H H 1 7.653 0.004 A 22 PHE HA H 1 4.011 0.004 A 22 PHE HBy H 1 3.217 0.001 A 22 PHE HBx H 1 3.069 0.004 A 22 PHE CB C 13 38.585 0.3 A 22 PHE N N 15 114.352 0.034 A 23 GLN H H 1 7.928 0.003 A 23 GLN HA H 1 4.033 0.004 A 23 GLN HBx H 1 1.976 0.1 A 23 GLN HBy H 1 2.001 0.1 A 23 GLN HE2x H 1 6.877 0.002 A 23 GLN HE2y H 1 7.487 0.003 A 23 GLN HGy H 1 2.607 0.005 A 23 GLN HGx H 1 2.406 0.006 A 23 GLN CA C 13 58.415 0.3 A 23 GLN CB C 13 28.950 0.3 A 23 GLN CG C 13 34.301 0.3 A 23 GLN N N 15 116.245 0.066 A 23 GLN NE2 N 15 112.066 0.062 A 24 GLN H H 1 6.731 0.004 A 24 GLN HA H 1 4.425 0.1 A 24 GLN HE2x H 1 6.809 0.002 A 24 GLN HE2y H 1 7.541 0.002 A 24 GLN HGx H 1 2.165 0.003 A 24 GLN HGy H 1 2.165 0.003 A 24 GLN CA C 13 54.691 0.3 A 24 GLN CB C 13 29.457 0.3 A 24 GLN CG C 13 34.769 0.3 A 24 GLN N N 15 114.087 0.088 A 24 GLN NE2 N 15 111.548 0.026 A 25 PRO HA H 1 5.028 0.003 A 25 PRO HBx H 1 1.702 0.1 A 25 PRO HBy H 1 2.213 0.1 A 25 PRO CA C 13 63.179 0.3 A 25 PRO CB C 13 32.577 0.3 A 25 PRO CG C 13 25.389 0.3 A 26 GLN H H 1 9.622 0.004 A 26 GLN HBy H 1 2.236 0.1 A 26 GLN HBx H 1 2.061 0.002 A 26 GLN HE2x H 1 6.346 0.005 A 26 GLN HE2y H 1 10.353 0.008 A 26 GLN HGx H 1 2.405 0.006 A 26 GLN HGy H 1 2.405 0.006 A 26 GLN CA C 13 55.279 0.3 A 26 GLN CB C 13 30.556 0.3 A 26 GLN CG C 13 34.007 0.3 A 26 GLN N N 15 120.107 0.059 A 26 GLN NE2 N 15 117.897 0.022 A 27 ARG H H 1 9.068 0.005 A 27 ARG HA H 1 5.220 0.004 A 27 ARG HBx H 1 1.584 0.009 A 27 ARG HBy H 1 1.708 0.005 A 27 ARG HE H 1 3.159 0.1 A 27 ARG HGy H 1 1.392 0.1 A 27 ARG HGx H 1 1.378 0.004 A 27 ARG CA C 13 56.125 0.3 A 27 ARG CB C 13 34.641 0.3 A 27 ARG CD C 13 43.200 0.3 A 27 ARG CG C 13 27.592 0.3 A 27 ARG N N 15 125.712 0.055 A 28 ALA H H 1 8.102 0.005 A 28 ALA HA H 1 4.514 0.008 A 28 ALA HB% H 1 0.981 0.005 A 28 ALA CB C 13 21.919 0.3 A 28 ALA N N 15 123.402 0.085 A 29 GLY H H 1 8.572 0.011 A 29 GLY HAy H 1 4.940 0.004 A 29 GLY HAx H 1 4.262 0.001 A 29 GLY CA C 13 46.884 0.3 A 29 GLY N N 15 109.532 0.034 A 30 THR H H 1 9.199 0.002 A 30 THR HA H 1 4.953 0.001 A 30 THR HG2% H 1 1.245 0.1 A 30 THR N N 15 113.168 0.027 A 31 PRO HA H 1 4.297 0.001 A 31 PRO CA C 13 65.511 0.3 A 31 PRO CB C 13 30.983 0.3 A 31 PRO CG C 13 28.318 0.3 A 32 GLN H H 1 7.403 0.007 A 32 GLN HA H 1 4.195 0.002 A 32 GLN HBx H 1 1.957 0.008 A 32 GLN HBy H 1 1.957 0.008 A 32 GLN HE2x H 1 7.071 0.003 A 32 GLN HE2y H 1 7.729 0.003 A 32 GLN HGx H 1 2.155 0.010 A 32 GLN HGy H 1 2.155 0.010 A 32 GLN CA C 13 58.478 0.3 A 32 GLN CB C 13 28.996 0.3 A 32 GLN CG C 13 34.214 0.3 A 32 GLN N N 15 110.281 0.053 A 32 GLN NE2 N 15 112.929 0.039 A 33 ILE H H 1 7.353 0.006 A 33 ILE HB H 1 1.514 0.008 A 33 ILE HG1y H 1 1.366 0.1 A 33 ILE HG1x H 1 0.718 0.002 A 33 ILE HG2% H 1 0.599 0.005 A 33 ILE CA C 13 60.240 0.3 A 33 ILE CB C 13 42.791 0.3 A 33 ILE CD1 C 13 13.730 0.3 A 33 ILE CG1 C 13 27.710 0.3 A 33 ILE CG2 C 13 17.301 0.3 A 33 ILE N N 15 118.254 0.060 A 34 THR H H 1 8.787 0.006 A 34 THR HA H 1 4.946 0.006 A 34 THR HB H 1 3.866 0.008 A 34 THR HG2% H 1 1.211 0.006 A 34 THR CA C 13 61.792 0.3 A 34 THR CB C 13 71.752 0.3 A 34 THR CG2 C 13 23.057 0.3 A 34 THR N N 15 122.650 0.063 A 35 ILE H H 1 9.109 0.004 A 35 ILE HA H 1 5.161 0.1 A 35 ILE HB H 1 1.426 0.001 A 35 ILE HD1% H 1 0.741 0.017 A 35 ILE HG1x H 1 -0.531 0.1 A 35 ILE HG1y H 1 -0.531 0.1 A 35 ILE HG2% H 1 0.421 0.001 A 35 ILE CA C 13 61.713 0.3 A 35 ILE CB C 13 40.043 0.3 A 35 ILE CD1 C 13 11.381 0.3 A 35 ILE CG1 C 13 26.591 0.3 A 35 ILE CG2 C 13 17.820 0.3 A 35 ILE N N 15 123.778 0.054 A 36 LEU H H 1 9.500 0.005 A 36 LEU HA H 1 5.634 0.006 A 36 LEU HBy H 1 1.570 0.001 A 36 LEU HBx H 1 1.306 0.002 A 36 LEU HDy% H 1 0.787 0.009 A 36 LEU CA C 13 53.244 0.3 A 36 LEU CB C 13 44.498 0.3 A 36 LEU CDx C 13 24.472 0.3 A 36 LEU CDy C 13 26.100 0.3 A 36 LEU CG C 13 28.105 0.3 A 36 LEU N N 15 132.558 0.081 A 37 GLY H H 1 9.058 0.005 A 37 GLY HAy H 1 5.604 0.004 A 37 GLY HAx H 1 3.344 0.006 A 37 GLY CA C 13 45.258 0.3 A 37 GLY N N 15 106.940 0.095 A 38 ARG H H 1 8.384 0.003 A 38 ARG HA H 1 4.652 0.005 A 38 ARG HBx H 1 1.750 0.1 A 38 ARG CA C 13 56.285 0.3 A 38 ARG CB C 13 35.176 0.3 A 38 ARG CD C 13 44.451 0.3 A 38 ARG CG C 13 26.705 0.3 A 38 ARG N N 15 121.378 0.031 A 39 LEU H H 1 9.030 0.005 A 39 LEU CB C 13 42.472 0.3 A 39 LEU N N 15 129.596 0.045 A 40 ASN H H 1 8.186 0.004 A 40 ASN HBy H 1 3.004 0.1 A 40 ASN HBx H 1 2.428 0.1 A 40 ASN CA C 13 51.546 0.3 A 40 ASN CB C 13 41.088 0.3 A 40 ASN N N 15 119.921 0.052 A 41 SER H H 1 8.646 0.009 A 41 SER HA H 1 4.484 0.1 A 41 SER HBx H 1 3.953 0.1 A 41 SER HBy H 1 3.953 0.1 A 41 SER CB C 13 62.949 0.3 A 41 SER N N 15 112.600 0.036 A 42 LEU H H 1 8.538 0.005 A 42 LEU HA H 1 4.334 0.005 A 42 LEU HBx H 1 1.132 0.020 A 42 LEU HBy H 1 1.132 0.020 A 42 LEU HDx% H 1 0.572 0.1 A 42 LEU HDy% H 1 0.698 0.1 A 42 LEU HG H 1 1.291 0.1 A 42 LEU CA C 13 54.828 0.3 A 42 LEU CB C 13 43.713 0.3 A 42 LEU CDx C 13 22.448 0.3 A 42 LEU CDy C 13 24.320 0.3 A 42 LEU N N 15 120.612 0.107 A 43 GLY H H 1 8.317 0.006 A 43 GLY HAy H 1 4.088 0.005 A 43 GLY HAx H 1 3.699 0.003 A 43 GLY CA C 13 45.271 0.3 A 43 GLY N N 15 105.922 0.059 A 44 HIS H H 1 7.145 0.005 A 44 HIS HA H 1 5.065 0.001 A 44 HIS HBx H 1 3.226 0.1 A 44 HIS HBy H 1 3.226 0.1 A 44 HIS N N 15 114.144 0.112 A 45 PRO HA H 1 5.403 0.003 A 45 PRO HBy H 1 3.206 0.1 A 45 PRO HBx H 1 2.461 0.1 A 45 PRO CA C 13 62.561 0.3 A 45 PRO CB C 13 33.097 0.3 A 45 PRO CG C 13 27.322 0.3 A 46 ARG H H 1 8.919 0.005 A 46 ARG HA H 1 5.156 0.010 A 46 ARG CA C 13 56.154 0.3 A 46 ARG CB C 13 37.970 0.3 A 46 ARG CG C 13 27.704 0.3 A 46 ARG N N 15 116.294 0.077 A 47 ILE H H 1 9.106 0.006 A 47 ILE HA H 1 5.684 0.008 A 47 ILE HB H 1 0.928 0.1 A 47 ILE HG1x H 1 0.736 0.1 A 47 ILE HG1y H 1 1.431 0.1 A 47 ILE HG2% H 1 0.314 0.002 A 47 ILE CA C 13 58.820 0.3 A 47 ILE CB C 13 41.712 0.3 A 47 ILE CG1 C 13 29.370 0.3 A 47 ILE CG2 C 13 14.959 0.3 A 47 ILE N N 15 117.069 0.069 A 48 GLY H H 1 9.276 0.008 A 48 GLY HAy H 1 4.716 0.009 A 48 GLY HAx H 1 3.363 0.006 A 48 GLY CA C 13 44.529 0.3 A 48 GLY N N 15 116.903 0.073 A 49 LEU H H 1 8.957 0.006 A 49 LEU HA H 1 5.441 0.010 A 49 LEU HBx H 1 1.664 0.003 A 49 LEU HDx% H 1 0.899 0.1 A 49 LEU HDy% H 1 0.862 0.1 A 49 LEU CA C 13 54.362 0.3 A 49 LEU CB C 13 45.545 0.3 A 49 LEU CDx C 13 24.499 0.3 A 49 LEU CDy C 13 26.353 0.3 A 49 LEU N N 15 123.729 0.090 A 50 THR H H 1 9.419 0.005 A 50 THR HA H 1 4.616 0.1 A 50 THR HB H 1 4.117 0.1 A 50 THR HG2% H 1 1.344 0.1 A 50 THR N N 15 120.870 0.060 A 51 VAL HA H 1 4.356 0.004 A 51 VAL HGx% H 1 0.830 0.1 A 51 VAL CA C 13 60.110 0.3 A 51 VAL CB C 13 32.291 0.3 A 51 VAL CGy C 13 21.677 0.3 A 51 VAL CGx C 13 20.629 0.3 A 52 ALA H H 1 9.046 0.006 A 52 ALA HB% H 1 1.446 0.011 A 52 ALA CB C 13 19.312 0.3 A 52 ALA N N 15 129.415 0.082 A 53 LYS H H 1 8.811 0.006 A 53 LYS HA H 1 4.089 0.1 A 53 LYS HBx H 1 1.822 0.1 A 53 LYS HBy H 1 1.822 0.1 A 53 LYS HGy H 1 1.594 0.1 A 53 LYS HGx H 1 1.342 0.1 A 53 LYS CA C 13 58.735 0.3 A 53 LYS CB C 13 32.096 0.3 A 53 LYS CD C 13 29.693 0.3 A 53 LYS CE C 13 42.039 0.3 A 53 LYS CG C 13 25.619 0.3 A 53 LYS N N 15 125.023 0.067 A 54 LYS H H 1 8.073 0.005 A 54 LYS HA H 1 4.041 0.006 A 54 LYS HBy H 1 1.803 0.001 A 54 LYS HBx H 1 1.675 0.008 A 54 LYS HGx H 1 1.305 0.001 A 54 LYS HGy H 1 1.305 0.001 A 54 LYS CA C 13 57.953 0.3 A 54 LYS CB C 13 31.930 0.3 A 54 LYS CD C 13 29.258 0.3 A 54 LYS CE C 13 41.953 0.3 A 54 LYS CG C 13 24.200 0.3 A 54 LYS N N 15 114.126 0.085 A 55 ASN H H 1 7.434 0.010 A 55 ASN HA H 1 4.858 0.1 A 55 ASN HBy H 1 2.707 0.006 A 55 ASN HBx H 1 2.488 0.008 A 55 ASN HD2x H 1 7.149 0.010 A 55 ASN HD2y H 1 7.649 0.006 A 55 ASN CA C 13 53.777 0.3 A 55 ASN CB C 13 39.529 0.3 A 55 ASN N N 15 115.234 0.088 A 55 ASN ND2 N 15 112.640 0.053 A 56 VAL H H 1 7.764 0.006 A 56 VAL HA H 1 4.173 0.006 A 56 VAL HB H 1 1.799 0.002 A 56 VAL HGx% H 1 0.779 0.010 A 56 VAL HGy% H 1 0.656 0.1 A 56 VAL CA C 13 61.761 0.3 A 56 VAL CB C 13 33.033 0.3 A 56 VAL CGy C 13 23.206 0.3 A 56 VAL CGx C 13 21.100 0.3 A 56 VAL N N 15 121.000 0.101 A 57 ARG H H 1 8.441 0.006 A 57 ARG HA H 1 4.200 0.087 A 57 ARG CA C 13 58.646 0.3 A 57 ARG CB C 13 31.004 0.3 A 57 ARG N N 15 125.781 0.045 A 58 ARG H H 1 8.250 0.004 A 58 ARG HA H 1 4.594 0.008 A 58 ARG N N 15 118.159 0.047 A 60 HIS H H 1 7.600 0.1 A 60 HIS HA H 1 4.435 0.1 A 60 HIS HBy H 1 3.263 0.1 A 60 HIS HBx H 1 3.077 0.005 A 60 HIS CA C 13 59.605 0.3 A 60 HIS CB C 13 29.947 0.3 A 60 HIS N N 15 116.957 0.3 A 61 GLU H H 1 6.702 0.008 A 61 GLU HA H 1 4.429 0.004 A 61 GLU HBy H 1 2.013 0.007 A 61 GLU HBx H 1 1.899 0.1 A 61 GLU HGx H 1 2.222 0.1 A 61 GLU CA C 13 57.628 0.3 A 61 GLU CB C 13 29.805 0.3 A 61 GLU N N 15 119.542 0.102 A 62 ARG H H 1 7.951 0.004 A 62 ARG HA H 1 3.733 0.007 A 62 ARG CA C 13 61.531 0.3 A 62 ARG CB C 13 29.612 0.3 A 62 ARG CD C 13 43.230 0.3 A 62 ARG N N 15 120.227 0.075 A 63 ASN H H 1 8.365 0.007 A 63 ASN HA H 1 4.434 0.011 A 63 ASN HBx H 1 2.856 0.005 A 63 ASN HBy H 1 2.856 0.005 A 63 ASN HD2x H 1 7.116 0.008 A 63 ASN HD2y H 1 7.764 0.005 A 63 ASN CA C 13 56.208 0.3 A 63 ASN CB C 13 37.825 0.3 A 63 ASN N N 15 116.757 0.099 A 63 ASN ND2 N 15 113.189 0.026 A 64 ARG H H 1 7.770 0.004 A 64 ARG HA H 1 4.056 0.007 A 64 ARG HBx H 1 2.198 0.005 A 64 ARG HBy H 1 2.198 0.005 A 64 ARG CA C 13 60.138 0.3 A 64 ARG CB C 13 30.832 0.3 A 64 ARG CD C 13 43.066 0.3 A 64 ARG CG C 13 28.123 0.3 A 64 ARG N N 15 123.093 0.077 A 65 ILE H H 1 8.121 0.005 A 65 ILE HA H 1 3.525 0.006 A 65 ILE HG1x H 1 1.270 0.1 A 65 ILE HG2% H 1 0.780 0.004 A 65 ILE CA C 13 64.715 0.3 A 65 ILE CB C 13 37.645 0.3 A 65 ILE CG1 C 13 29.132 0.3 A 65 ILE CG2 C 13 17.441 0.3 A 65 ILE N N 15 117.911 0.068 A 66 LYS H H 1 8.337 0.004 A 66 LYS HA H 1 3.771 0.012 A 66 LYS HBx H 1 1.897 0.004 A 66 LYS HBy H 1 1.897 0.004 A 66 LYS HGx H 1 1.562 0.1 A 66 LYS HGy H 1 1.562 0.1 A 66 LYS CA C 13 60.935 0.3 A 66 LYS CB C 13 32.424 0.3 A 66 LYS CD C 13 30.241 0.3 A 66 LYS CG C 13 25.484 0.3 A 66 LYS N N 15 122.635 0.058 A 67 ARG H H 1 8.257 0.007 A 67 ARG HA H 1 4.008 0.011 A 67 ARG HBx H 1 1.967 0.012 A 67 ARG HBy H 1 1.967 0.012 A 67 ARG HGy H 1 1.743 0.002 A 67 ARG HGx H 1 1.544 0.1 A 67 ARG CA C 13 59.989 0.3 A 67 ARG CB C 13 30.035 0.3 A 67 ARG CD C 13 43.369 0.3 A 67 ARG CG C 13 27.494 0.3 A 67 ARG N N 15 119.137 0.036 A 68 LEU H H 1 8.427 0.004 A 68 LEU HA H 1 4.108 0.006 A 68 LEU HBx H 1 1.378 0.007 A 68 LEU HBy H 1 1.815 0.010 A 68 LEU HDy% H 1 0.910 0.003 A 68 LEU CA C 13 58.022 0.3 A 68 LEU CB C 13 41.602 0.3 A 68 LEU CDy C 13 25.986 0.3 A 68 LEU CDx C 13 23.350 0.3 A 68 LEU CG C 13 28.194 0.3 A 68 LEU N N 15 119.084 0.046 A 69 THR H H 1 8.433 0.006 A 69 THR CA C 13 67.701 0.3 A 69 THR CG2 C 13 22.551 0.3 A 69 THR N N 15 118.019 0.078 A 70 ARG H H 1 8.346 0.007 A 70 ARG CA C 13 61.410 0.3 A 70 ARG CB C 13 30.050 0.3 A 70 ARG CD C 13 43.502 0.3 A 70 ARG CG C 13 28.398 0.3 A 70 ARG N N 15 122.713 0.035 A 71 GLU H H 1 8.334 0.006 A 71 GLU HA H 1 4.266 0.011 A 71 GLU CA C 13 59.481 0.3 A 71 GLU CB C 13 29.316 0.3 A 71 GLU CG C 13 35.973 0.3 A 71 GLU N N 15 118.890 0.038 A 72 SER H H 1 8.205 0.004 A 72 SER HA H 1 4.243 0.004 A 72 SER HBx H 1 4.368 0.005 A 72 SER HBy H 1 4.368 0.005 A 72 SER CA C 13 61.292 0.3 A 72 SER CB C 13 63.065 0.3 A 72 SER N N 15 114.922 0.055 A 73 PHE H H 1 7.788 0.003 A 73 PHE HA H 1 3.109 0.003 A 73 PHE HBy H 1 3.280 0.001 A 73 PHE HBx H 1 2.932 0.007 A 73 PHE CB C 13 39.535 0.3 A 73 PHE N N 15 122.665 0.086 A 74 ARG H H 1 8.580 0.004 A 74 ARG HA H 1 3.897 0.002 A 74 ARG HBx H 1 2.108 0.1 A 74 ARG HBy H 1 2.108 0.1 A 74 ARG HGy H 1 1.978 0.1 A 74 ARG HGx H 1 1.831 0.1 A 74 ARG CA C 13 59.201 0.3 A 74 ARG CB C 13 29.981 0.3 A 74 ARG CD C 13 43.043 0.3 A 74 ARG CG C 13 27.485 0.3 A 74 ARG N N 15 119.417 0.072 A 75 LEU H H 1 7.903 0.003 A 75 LEU HA H 1 4.096 0.003 A 75 LEU HBy H 1 1.837 0.007 A 75 LEU HBx H 1 1.580 0.002 A 75 LEU CA C 13 57.217 0.3 A 75 LEU CB C 13 42.788 0.3 A 75 LEU CDx C 13 23.198 0.3 A 75 LEU CG C 13 25.028 0.3 A 75 LEU N N 15 117.144 0.082 A 76 ARG H H 1 6.736 0.009 A 76 ARG HA H 1 4.423 0.001 A 76 ARG HBy H 1 1.536 0.007 A 76 ARG HBx H 1 1.158 0.1 A 76 ARG CA C 13 54.487 0.3 A 76 ARG CB C 13 31.867 0.3 A 76 ARG CG C 13 25.801 0.3 A 76 ARG N N 15 113.888 0.082 A 77 GLN H H 1 7.273 0.007 A 77 GLN HE2x H 1 6.372 0.006 A 77 GLN HE2y H 1 7.408 0.002 A 77 GLN CA C 13 60.256 0.3 A 77 GLN CB C 13 28.588 0.3 A 77 GLN CG C 13 32.624 0.3 A 77 GLN N N 15 120.009 0.060 A 77 GLN NE2 N 15 109.484 0.045 A 78 HIS H H 1 8.389 0.002 A 78 HIS HA H 1 4.445 0.1 A 78 HIS HBx H 1 3.078 0.006 A 78 HIS HBy H 1 3.078 0.006 A 78 HIS CA C 13 57.800 0.3 A 78 HIS CB C 13 29.402 0.3 A 78 HIS N N 15 114.954 0.029 A 79 GLU H H 1 7.717 0.007 A 79 GLU HA H 1 4.407 0.006 A 79 GLU HBx H 1 1.886 0.005 A 79 GLU HBy H 1 1.886 0.005 A 79 GLU HGx H 1 1.980 0.003 A 79 GLU HGy H 1 1.980 0.003 A 79 GLU CA C 13 55.392 0.3 A 79 GLU CB C 13 31.296 0.3 A 79 GLU CG C 13 35.686 0.3 A 79 GLU N N 15 118.231 0.076 A 80 LEU H H 1 6.859 0.004 A 80 LEU HA H 1 4.554 0.001 A 80 LEU HBy H 1 1.551 0.1 A 80 LEU HBx H 1 1.443 0.1 A 80 LEU HDx% H 1 0.743 0.1 A 80 LEU HDy% H 1 -0.186 0.1 A 80 LEU N N 15 119.751 0.039 A 81 PRO HA H 1 4.571 0.004 A 81 PRO HBy H 1 2.385 0.001 A 81 PRO HBx H 1 1.768 0.1 A 81 PRO HGx H 1 2.138 0.1 A 81 PRO HGy H 1 2.138 0.1 A 81 PRO CA C 13 61.725 0.3 A 81 PRO CB C 13 32.332 0.3 A 81 PRO CG C 13 27.481 0.3 A 82 ALA H H 1 8.425 0.005 A 82 ALA HA H 1 3.758 0.002 A 82 ALA HB% H 1 1.098 0.005 A 82 ALA CB C 13 15.908 0.3 A 82 ALA N N 15 122.525 0.045 A 83 MET H H 1 7.851 0.003 A 83 MET HA H 1 4.387 0.006 A 83 MET CA C 13 54.002 0.3 A 83 MET CB C 13 35.655 0.3 A 83 MET CG C 13 33.564 0.3 A 83 MET N N 15 122.963 0.057 A 84 ASP H H 1 8.393 0.005 A 84 ASP HA H 1 4.752 0.1 A 84 ASP HBy H 1 2.526 0.005 A 84 ASP HBx H 1 2.196 0.006 A 84 ASP CA C 13 53.638 0.3 A 84 ASP CB C 13 41.990 0.3 A 84 ASP N N 15 121.733 0.050 A 85 PHE H H 1 8.849 0.004 A 85 PHE HA H 1 5.956 0.1 A 85 PHE HBy H 1 3.239 0.008 A 85 PHE HBx H 1 2.885 0.010 A 85 PHE CB C 13 42.080 0.3 A 85 PHE N N 15 121.368 0.043 A 86 VAL H H 1 9.407 0.007 A 86 VAL HA H 1 4.616 0.005 A 86 VAL HB H 1 1.611 0.005 A 86 VAL CA C 13 60.874 0.3 A 86 VAL CB C 13 34.882 0.3 A 86 VAL CGx C 13 21.542 0.3 A 86 VAL N N 15 120.431 0.128 A 87 VAL H H 1 8.843 0.003 A 87 VAL HA H 1 4.617 0.1 A 87 VAL HB H 1 2.144 0.1 A 87 VAL HGx% H 1 0.715 0.1 A 87 VAL HGy% H 1 0.926 0.1 A 87 VAL CA C 13 61.420 0.3 A 87 VAL CB C 13 32.122 0.3 A 87 VAL CGy C 13 20.393 0.3 A 87 VAL N N 15 127.860 0.042 A 88 VAL H H 1 9.538 0.005 A 88 VAL HA H 1 4.655 0.009 A 88 VAL HGx% H 1 0.863 0.005 A 88 VAL HGy% H 1 1.004 0.1 A 88 VAL CA C 13 61.265 0.3 A 88 VAL CB C 13 33.439 0.3 A 88 VAL CGx C 13 20.647 0.3 A 88 VAL N N 15 128.150 0.065 A 89 ALA H H 1 8.170 0.007 A 89 ALA HA H 1 4.604 0.014 A 89 ALA HB% H 1 1.465 0.002 A 89 ALA CB C 13 20.871 0.3 A 89 ALA N N 15 128.337 0.074 A 90 LYS H H 1 8.231 0.006 A 90 LYS HA H 1 4.477 0.003 A 90 LYS HBy H 1 2.002 0.005 A 90 LYS HBx H 1 1.574 0.013 A 90 LYS HEx H 1 2.814 0.1 A 90 LYS HEy H 1 2.814 0.1 A 90 LYS HGx H 1 1.302 0.003 A 90 LYS HGy H 1 1.302 0.003 A 90 LYS CA C 13 55.110 0.3 A 90 LYS CB C 13 33.455 0.3 A 90 LYS CD C 13 28.589 0.3 A 90 LYS CG C 13 24.948 0.3 A 90 LYS N N 15 123.110 0.049 A 91 LYS H H 1 8.162 0.005 A 91 LYS HA H 1 4.048 0.003 A 91 LYS HBy H 1 1.878 0.005 A 91 LYS HBx H 1 1.790 0.002 A 91 LYS HEx H 1 3.059 0.1 A 91 LYS HEy H 1 3.059 0.1 A 91 LYS CA C 13 59.171 0.3 A 91 LYS CB C 13 32.219 0.3 A 91 LYS CD C 13 29.102 0.3 A 91 LYS CG C 13 24.745 0.3 A 91 LYS N N 15 119.291 0.059 A 92 GLY H H 1 8.783 0.005 A 92 GLY HAy H 1 4.409 0.009 A 92 GLY HAx H 1 3.835 0.013 A 92 GLY CA C 13 45.136 0.3 A 92 GLY N N 15 112.991 0.096 A 93 VAL H H 1 8.363 0.003 A 93 VAL HA H 1 3.730 0.008 A 93 VAL HB H 1 2.704 0.004 A 93 VAL HGy% H 1 0.989 0.003 A 93 VAL CA C 13 64.911 0.3 A 93 VAL CB C 13 29.998 0.3 A 93 VAL CGy C 13 22.661 0.3 A 93 VAL CGx C 13 21.951 0.3 A 93 VAL N N 15 122.937 0.069 A 94 ALA H H 1 7.960 0.004 A 94 ALA HA H 1 4.096 0.004 A 94 ALA HB% H 1 1.460 0.002 A 94 ALA CB C 13 18.669 0.3 A 94 ALA N N 15 119.882 0.087 A 95 ASP H H 1 7.360 0.006 A 95 ASP HA H 1 4.492 0.1 A 95 ASP HBy H 1 2.841 0.007 A 95 ASP HBx H 1 2.606 0.009 A 95 ASP CA C 13 54.861 0.3 A 95 ASP CB C 13 40.883 0.3 A 95 ASP N N 15 114.705 0.054 A 96 LEU H H 1 7.389 0.004 A 96 LEU HA H 1 4.458 0.014 A 96 LEU HBy H 1 2.057 0.002 A 96 LEU HBx H 1 1.345 0.003 A 96 LEU HDx% H 1 0.759 0.012 A 96 LEU HDy% H 1 0.759 0.012 A 96 LEU HG H 1 1.696 0.009 A 96 LEU CA C 13 54.357 0.3 A 96 LEU CB C 13 42.433 0.3 A 96 LEU CDx C 13 22.897 0.3 A 96 LEU CG C 13 25.540 0.3 A 96 LEU N N 15 120.424 0.058 A 97 ASP H H 1 8.473 0.003 A 97 ASP HA H 1 4.530 0.009 A 97 ASP HBy H 1 3.175 0.009 A 97 ASP HBx H 1 2.810 0.004 A 97 ASP CA C 13 52.835 0.3 A 97 ASP CB C 13 40.502 0.3 A 97 ASP N N 15 123.018 0.046 A 98 ASN H H 1 8.651 0.004 A 98 ASN HA H 1 4.136 0.007 A 98 ASN HBx H 1 2.873 0.007 A 98 ASN HBy H 1 2.873 0.007 A 98 ASN HD2x H 1 6.936 0.001 A 98 ASN HD2y H 1 7.605 0.003 A 98 ASN CA C 13 56.865 0.3 A 98 ASN CB C 13 36.940 0.3 A 98 ASN N N 15 117.692 0.081 A 98 ASN ND2 N 15 109.725 0.037 A 99 ARG H H 1 8.191 0.003 A 99 ARG HA H 1 4.053 0.005 A 99 ARG HBx H 1 1.916 0.007 A 99 ARG HBy H 1 1.916 0.007 A 99 ARG HE H 1 3.219 0.020 A 99 ARG HGy H 1 1.693 0.005 A 99 ARG HGx H 1 1.560 0.011 A 99 ARG CA C 13 59.498 0.3 A 99 ARG CB C 13 29.317 0.3 A 99 ARG CD C 13 43.021 0.3 A 99 ARG CG C 13 26.781 0.3 A 99 ARG N N 15 120.819 0.040 A 100 ALA H H 1 8.524 0.004 A 100 ALA HA H 1 4.151 0.004 A 100 ALA HB% H 1 1.538 0.007 A 100 ALA CA C 13 55.049 0.3 A 100 ALA CB C 13 18.997 0.3 A 100 ALA N N 15 122.928 0.064 A 101 LEU H H 1 8.961 0.003 A 101 LEU HA H 1 4.098 0.004 A 101 LEU HBy H 1 1.793 0.003 A 101 LEU HBx H 1 1.569 0.005 A 101 LEU HG H 1 0.882 0.009 A 101 LEU CA C 13 58.235 0.3 A 101 LEU CB C 13 41.509 0.3 A 101 LEU CDx C 13 24.187 0.3 A 101 LEU CG C 13 26.191 0.3 A 101 LEU N N 15 120.795 0.029 A 102 SER H H 1 8.459 0.002 A 102 SER HA H 1 4.123 0.010 A 102 SER HBx H 1 4.038 0.015 A 102 SER HBy H 1 4.038 0.015 A 102 SER CB C 13 62.761 0.3 A 102 SER N N 15 115.314 0.025 A 103 GLU H H 1 8.492 0.002 A 103 GLU HA H 1 4.130 0.005 A 103 GLU HBy H 1 2.030 0.001 A 103 GLU HGy H 1 2.515 0.006 A 103 GLU HGx H 1 2.252 0.002 A 103 GLU CA C 13 59.468 0.3 A 103 GLU CB C 13 29.528 0.3 A 103 GLU CG C 13 36.761 0.3 A 103 GLU N N 15 122.468 0.035 A 104 ALA H H 1 8.074 0.003 A 104 ALA HA H 1 4.090 0.005 A 104 ALA HB% H 1 1.473 0.005 A 104 ALA CA C 13 55.242 0.3 A 104 ALA CB C 13 17.827 0.3 A 104 ALA N N 15 123.159 0.079 A 105 LEU H H 1 8.318 0.003 A 105 LEU HA H 1 3.552 0.002 A 105 LEU HBy H 1 2.035 0.002 A 105 LEU HBx H 1 1.509 0.013 A 105 LEU CA C 13 58.404 0.3 A 105 LEU CB C 13 41.619 0.3 A 105 LEU CDy C 13 25.949 0.3 A 105 LEU CDx C 13 23.152 0.3 A 105 LEU CG C 13 27.855 0.3 A 105 LEU N N 15 116.602 0.061 A 106 GLU H H 1 8.009 0.003 A 106 GLU HA H 1 4.232 0.002 A 106 GLU HBy H 1 2.184 0.005 A 106 GLU HGx H 1 2.329 0.010 A 106 GLU HGy H 1 2.329 0.010 A 106 GLU CA C 13 60.416 0.3 A 106 GLU CB C 13 28.925 0.3 A 106 GLU CG C 13 35.915 0.3 A 106 GLU N N 15 117.564 0.038 A 107 LYS H H 1 7.787 0.004 A 107 LYS HA H 1 3.974 0.002 A 107 LYS HBx H 1 1.913 0.1 A 107 LYS HBy H 1 2.017 0.1 A 107 LYS HGy H 1 1.677 0.1 A 107 LYS HGx H 1 1.434 0.1 A 107 LYS CA C 13 59.907 0.3 A 107 LYS CB C 13 32.381 0.3 A 107 LYS CD C 13 29.395 0.3 A 107 LYS CG C 13 25.507 0.3 A 107 LYS N N 15 117.286 0.067 A 108 LEU H H 1 7.875 0.004 A 108 LEU HA H 1 3.979 0.008 A 108 LEU HBx H 1 1.769 0.007 A 108 LEU CA C 13 57.817 0.3 A 108 LEU CB C 13 42.300 0.3 A 108 LEU CDx C 13 22.054 0.3 A 108 LEU CG C 13 25.781 0.3 A 108 LEU N N 15 120.504 0.157 A 109 TRP H H 1 9.048 0.003 A 109 TRP HBy H 1 3.226 0.024 A 109 TRP HBx H 1 3.106 0.008 A 109 TRP HE1 H 1 10.227 0.007 A 109 TRP CA C 13 59.887 0.3 A 109 TRP CB C 13 30.763 0.3 A 109 TRP N N 15 120.547 0.076 A 109 TRP NE1 N 15 127.164 0.014 A 110 ARG H H 1 8.425 0.007 A 110 ARG HA H 1 4.074 0.009 A 110 ARG HBx H 1 1.945 0.002 A 110 ARG HBy H 1 1.945 0.002 A 110 ARG CA C 13 60.243 0.3 A 110 ARG CB C 13 29.641 0.3 A 110 ARG CD C 13 43.194 0.3 A 110 ARG CG C 13 27.909 0.3 A 110 ARG N N 15 117.678 0.156 A 111 ARG H H 1 8.100 0.005 A 111 ARG HA H 1 4.175 0.084 A 111 ARG HBx H 1 1.900 0.020 A 111 ARG HBy H 1 1.900 0.020 A 111 ARG HE H 1 3.237 0.006 A 111 ARG HGx H 1 1.683 0.002 A 111 ARG HGy H 1 1.683 0.002 A 111 ARG CA C 13 59.068 0.3 A 111 ARG CB C 13 29.070 0.3 A 111 ARG CD C 13 43.214 0.3 A 111 ARG CG C 13 27.153 0.3 A 111 ARG N N 15 121.156 0.088 A 112 HIS H H 1 8.250 0.003 A 112 HIS HA H 1 4.303 0.010 A 112 HIS HBy H 1 3.484 0.009 A 112 HIS HBx H 1 3.083 0.009 A 112 HIS CA C 13 61.535 0.3 A 112 HIS CB C 13 31.917 0.3 A 112 HIS N N 15 118.118 0.056 A 113 CYS H H 1 8.181 0.004 A 113 CYS HA H 1 4.264 0.005 A 113 CYS HBy H 1 3.388 0.012 A 113 CYS HBx H 1 2.997 0.013 A 113 CYS CA C 13 64.136 0.3 A 113 CYS CB C 13 26.785 0.3 A 113 CYS N N 15 117.579 0.051 A 114 ARG H H 1 7.870 0.004 A 114 ARG HA H 1 4.147 0.007 A 114 ARG HBx H 1 1.981 0.002 A 114 ARG HBy H 1 1.981 0.002 A 114 ARG HE H 1 3.240 0.004 A 114 ARG HGy H 1 1.769 0.1 A 114 ARG HGx H 1 1.690 0.001 A 114 ARG CA C 13 59.050 0.3 A 114 ARG CB C 13 29.818 0.3 A 114 ARG CD C 13 43.289 0.3 A 114 ARG CG C 13 27.338 0.3 A 114 ARG N N 15 120.172 0.060 A 115 LEU H H 1 8.690 0.003 A 115 LEU HA H 1 4.117 0.001 A 115 LEU HBx H 1 1.411 0.008 A 115 LEU HBy H 1 1.933 0.005 A 115 LEU HDx% H 1 0.883 0.002 A 115 LEU HDy% H 1 0.645 0.001 A 115 LEU HG H 1 1.741 0.1 A 115 LEU CA C 13 57.362 0.3 A 115 LEU CB C 13 41.902 0.3 A 115 LEU CDy C 13 25.071 0.3 A 115 LEU CDx C 13 22.558 0.3 A 115 LEU CG C 13 26.911 0.3 A 115 LEU N N 15 120.720 0.041 A 116 ALA H H 1 7.751 0.004 A 116 ALA HA H 1 4.367 0.007 A 116 ALA HB% H 1 1.615 0.002 A 116 ALA CB C 13 19.088 0.3 A 116 ALA N N 15 119.118 0.042 A 117 ARG H H 1 7.602 0.005 A 117 ARG HA H 1 4.388 0.006 A 117 ARG HBy H 1 2.006 0.003 A 117 ARG HE H 1 3.255 0.009 A 117 ARG HGy H 1 1.863 0.002 A 117 ARG HGx H 1 1.801 0.1 A 117 ARG CA C 13 57.046 0.3 A 117 ARG CB C 13 30.858 0.3 A 117 ARG CD C 13 43.584 0.3 A 117 ARG CG C 13 27.465 0.3 A 117 ARG N N 15 117.010 0.034 A 118 GLY H H 1 8.087 0.008 A 118 GLY HAy H 1 4.134 0.007 A 118 GLY HAx H 1 3.990 0.004 A 118 GLY CA C 13 45.566 0.3 A 118 GLY N N 15 108.836 0.022 A 119 SER H H 1 7.897 0.003 A 119 SER HA H 1 4.309 0.004 A 119 SER HBy H 1 3.867 0.1 A 119 SER N N 15 120.831 0.038 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 4 LEU C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -126.1 -66.1 PHI 2 2 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 PHE N 1.0 87.1 147.1 PSI 3 3 A 5 ALA C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 -128.7 -68.7 PHI 4 4 A 6 PHE N A 6 PHE CA A 6 PHE C A 7 PRO N 1.0 92.1 152.1 PSI 5 5 A 7 PRO C A 8 ARG N A 8 ARG CA A 8 ARG C 1.0 -82.3 -22.3 PHI 6 6 A 8 ARG N A 8 ARG CA A 8 ARG C A 9 GLU N 1.0 -69.9 -9.9 PSI 7 7 A 8 ARG C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -94.9 -34.9 PHI 8 8 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 LEU N 1.0 -54.2 5.8 PSI 9 9 A 9 GLU C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -122.4 -62.4 PHI 10 10 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 ARG N 1.0 -40.1 19.9 PSI 11 11 A 11 ARG C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -120.5 -60.5 PHI 12 12 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 LEU N 1.0 120.0 180.0 PSI 13 13 A 12 LEU C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -146.5 -86.5 PHI 14 14 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 THR N 1.0 120.4 180.4 PSI 15 15 A 16 SER C A 17 GLN N A 17 GLN CA A 17 GLN C 1.0 -89.3 -29.3 PHI 16 16 A 17 GLN N A 17 GLN CA A 17 GLN C A 18 PHE N 1.0 -69.9 -9.9 PSI 17 17 A 17 GLN C A 18 PHE N A 18 PHE CA A 18 PHE C 1.0 -97.7 -37.7 PHI 18 18 A 18 PHE N A 18 PHE CA A 18 PHE C A 19 THR N 1.0 -67.0 -7.0 PSI 19 19 A 18 PHE C A 19 THR N A 19 THR CA A 19 THR C 1.0 -95.6 -35.6 PHI 20 20 A 19 THR N A 19 THR CA A 19 THR C A 20 PHE N 1.0 -74.1 -14.1 PSI 21 21 A 19 THR C A 20 PHE N A 20 PHE CA A 20 PHE C 1.0 -90.5 -30.5 PHI 22 22 A 20 PHE N A 20 PHE CA A 20 PHE C A 21 VAL N 1.0 -74.8 -14.8 PSI 23 23 A 20 PHE C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -94.3 -34.3 PHI 24 24 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 PHE N 1.0 -76.4 -16.4 PSI 25 25 A 21 VAL C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -92.2 -32.2 PHI 26 26 A 22 PHE N A 22 PHE CA A 22 PHE C A 23 GLN N 1.0 -62.3 -2.3 PSI 27 27 A 22 PHE C A 23 GLN N A 23 GLN CA A 23 GLN C 1.0 -102.3 -42.3 PHI 28 28 A 23 GLN N A 23 GLN CA A 23 GLN C A 24 GLN N 1.0 -59.6 0.4 PSI 29 29 A 25 PRO C A 26 GLN N A 26 GLN CA A 26 GLN C 1.0 -126.9 -66.9 PHI 30 30 A 26 GLN N A 26 GLN CA A 26 GLN C A 27 ARG N 1.0 108.7 168.7 PSI 31 31 A 26 GLN C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -154.6 -94.6 PHI 32 32 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 ALA N 1.0 119.1 179.1 PSI 33 33 A 27 ARG C A 28 ALA N A 28 ALA CA A 28 ALA C 1.0 -149.8 -89.8 PHI 34 34 A 28 ALA N A 28 ALA CA A 28 ALA C A 29 GLY N 1.0 116.0 176.0 PSI 35 35 A 29 GLY C A 30 THR N A 30 THR CA A 30 THR C 1.0 -143.4 -83.4 PHI 36 36 A 30 THR N A 30 THR CA A 30 THR C A 31 PRO N 1.0 114.5 174.5 PSI 37 37 A 31 PRO C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -116.2 -56.2 PHI 38 38 A 32 GLN N A 32 GLN CA A 32 GLN C A 33 ILE N 1.0 -44.1 15.9 PSI 39 39 A 32 GLN C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -156.7 -96.7 PHI 40 40 A 33 ILE N A 33 ILE CA A 33 ILE C A 34 THR N 1.0 109.3 169.3 PSI 41 41 A 33 ILE C A 34 THR N A 34 THR CA A 34 THR C 1.0 -154.3 -94.3 PHI 42 42 A 34 THR N A 34 THR CA A 34 THR C A 35 ILE N 1.0 108.0 168.0 PSI 43 43 A 34 THR C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -141.9 -81.9 PHI 44 44 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 LEU N 1.0 92.6 152.6 PSI 45 45 A 35 ILE C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -148.1 -88.1 PHI 46 46 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 GLY N 1.0 120.4 180.4 PSI 47 47 A 37 GLY C A 38 ARG N A 38 ARG CA A 38 ARG C 1.0 -166.5 -106.5 PHI 48 48 A 38 ARG N A 38 ARG CA A 38 ARG C A 39 LEU N 1.0 99.2 159.2 PSI 49 49 A 38 ARG C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -137.7 -77.7 PHI 50 50 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 ASN N 1.0 101.1 161.1 PSI 51 51 A 39 LEU C A 40 ASN N A 40 ASN CA A 40 ASN C 1.0 -142.1 -82.1 PHI 52 52 A 40 ASN N A 40 ASN CA A 40 ASN C A 41 SER N 1.0 136.5 196.5 PSI 53 53 A 41 SER C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -126.7 -66.7 PHI 54 54 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 GLY N 1.0 -40.7 19.3 PSI 55 55 A 45 PRO C A 46 ARG N A 46 ARG CA A 46 ARG C 1.0 -165.2 -105.2 PHI 56 56 A 46 ARG N A 46 ARG CA A 46 ARG C A 47 ILE N 1.0 130.6 190.6 PSI 57 57 A 46 ARG C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -161.6 -101.6 PHI 58 58 A 47 ILE N A 47 ILE CA A 47 ILE C A 48 GLY N 1.0 108.7 168.7 PSI 59 59 A 48 GLY C A 49 LEU N A 49 LEU CA A 49 LEU C 1.0 -147.8 -87.8 PHI 60 60 A 49 LEU N A 49 LEU CA A 49 LEU C A 50 THR N 1.0 105.0 165.0 PSI 61 61 A 49 LEU C A 50 THR N A 50 THR CA A 50 THR C 1.0 -134.7 -74.7 PHI 62 62 A 50 THR N A 50 THR CA A 50 THR C A 51 VAL N 1.0 105.9 165.9 PSI 63 63 A 51 VAL C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -107.1 -47.1 PHI 64 64 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 LYS N 1.0 92.1 152.1 PSI 65 65 A 52 ALA C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -88.6 -28.6 PHI 66 66 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 LYS N 1.0 -60.5 -0.5 PSI 67 67 A 53 LYS C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -96.1 -36.1 PHI 68 68 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 ASN N 1.0 -53.7 6.3 PSI 69 69 A 54 LYS C A 55 ASN N A 55 ASN CA A 55 ASN C 1.0 -124.5 -64.5 PHI 70 70 A 55 ASN N A 55 ASN CA A 55 ASN C A 56 VAL N 1.0 -38.4 21.6 PSI 71 71 A 55 ASN C A 56 VAL N A 56 VAL CA A 56 VAL C 1.0 -129.0 -69.0 PHI 72 72 A 56 VAL N A 56 VAL CA A 56 VAL C A 57 ARG N 1.0 89.1 149.1 PSI 73 73 A 56 VAL C A 57 ARG N A 57 ARG CA A 57 ARG C 1.0 -87.5 -27.5 PHI 74 74 A 57 ARG N A 57 ARG CA A 57 ARG C A 58 ARG N 1.0 -61.3 -1.3 PSI 75 75 A 59 ALA C A 60 HIS N A 60 HIS CA A 60 HIS C 1.0 -91.8 -31.8 PHI 76 76 A 60 HIS N A 60 HIS CA A 60 HIS C A 61 GLU N 1.0 -73.6 -13.6 PSI 77 77 A 60 HIS C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -95.9 -35.9 PHI 78 78 A 61 GLU N A 61 GLU CA A 61 GLU C A 62 ARG N 1.0 -70.2 -10.2 PSI 79 79 A 61 GLU C A 62 ARG N A 62 ARG CA A 62 ARG C 1.0 -86.3 -26.3 PHI 80 80 A 62 ARG N A 62 ARG CA A 62 ARG C A 63 ASN N 1.0 -76.3 -16.3 PSI 81 81 A 62 ARG C A 63 ASN N A 63 ASN CA A 63 ASN C 1.0 -97.0 -37.0 PHI 82 82 A 63 ASN N A 63 ASN CA A 63 ASN C A 64 ARG N 1.0 -64.5 -4.5 PSI 83 83 A 63 ASN C A 64 ARG N A 64 ARG CA A 64 ARG C 1.0 -93.1 -33.1 PHI 84 84 A 64 ARG N A 64 ARG CA A 64 ARG C A 65 ILE N 1.0 -74.5 -14.5 PSI 85 85 A 64 ARG C A 65 ILE N A 65 ILE CA A 65 ILE C 1.0 -89.4 -29.4 PHI 86 86 A 65 ILE N A 65 ILE CA A 65 ILE C A 66 LYS N 1.0 -76.3 -16.3 PSI 87 87 A 65 ILE C A 66 LYS N A 66 LYS CA A 66 LYS C 1.0 -91.4 -31.4 PHI 88 88 A 66 LYS N A 66 LYS CA A 66 LYS C A 67 ARG N 1.0 -74.5 -14.5 PSI 89 89 A 66 LYS C A 67 ARG N A 67 ARG CA A 67 ARG C 1.0 -93.6 -33.6 PHI 90 90 A 67 ARG N A 67 ARG CA A 67 ARG C A 68 LEU N 1.0 -74.9 -14.9 PSI 91 91 A 67 ARG C A 68 LEU N A 68 LEU CA A 68 LEU C 1.0 -94.3 -34.3 PHI 92 92 A 68 LEU N A 68 LEU CA A 68 LEU C A 69 THR N 1.0 -67.8 -7.8 PSI 93 93 A 68 LEU C A 69 THR N A 69 THR CA A 69 THR C 1.0 -100.5 -40.5 PHI 94 94 A 69 THR N A 69 THR CA A 69 THR C A 70 ARG N 1.0 -65.3 -5.3 PSI 95 95 A 69 THR C A 70 ARG N A 70 ARG CA A 70 ARG C 1.0 -91.3 -31.3 PHI 96 96 A 70 ARG N A 70 ARG CA A 70 ARG C A 71 GLU N 1.0 -73.5 -13.5 PSI 97 97 A 70 ARG C A 71 GLU N A 71 GLU CA A 71 GLU C 1.0 -93.3 -33.3 PHI 98 98 A 71 GLU N A 71 GLU CA A 71 GLU C A 72 SER N 1.0 -73.4 -13.4 PSI 99 99 A 71 GLU C A 72 SER N A 72 SER CA A 72 SER C 1.0 -94.1 -34.1 PHI 100 100 A 72 SER N A 72 SER CA A 72 SER C A 73 PHE N 1.0 -70.7 -10.7 PSI 101 101 A 72 SER C A 73 PHE N A 73 PHE CA A 73 PHE C 1.0 -92.2 -32.2 PHI 102 102 A 73 PHE N A 73 PHE CA A 73 PHE C A 74 ARG N 1.0 -72.6 -12.6 PSI 103 103 A 73 PHE C A 74 ARG N A 74 ARG CA A 74 ARG C 1.0 -93.3 -33.3 PHI 104 104 A 74 ARG N A 74 ARG CA A 74 ARG C A 75 LEU N 1.0 -68.6 -8.6 PSI 105 105 A 74 ARG C A 75 LEU N A 75 LEU CA A 75 LEU C 1.0 -107.2 -47.2 PHI 106 106 A 75 LEU N A 75 LEU CA A 75 LEU C A 76 ARG N 1.0 -65.0 -5.0 PSI 107 107 A 76 ARG C A 77 GLN N A 77 GLN CA A 77 GLN C 1.0 -83.6 -23.6 PHI 108 108 A 77 GLN N A 77 GLN CA A 77 GLN C A 78 HIS N 1.0 -72.4 -12.4 PSI 109 109 A 77 GLN C A 78 HIS N A 78 HIS CA A 78 HIS C 1.0 -100.6 -40.6 PHI 110 110 A 78 HIS N A 78 HIS CA A 78 HIS C A 79 GLU N 1.0 -48.9 11.1 PSI 111 111 A 82 ALA C A 83 MET N A 83 MET CA A 83 MET C 1.0 -145.6 -85.6 PHI 112 112 A 83 MET N A 83 MET CA A 83 MET C A 84 ASP N 1.0 128.5 188.5 PSI 113 113 A 83 MET C A 84 ASP N A 84 ASP CA A 84 ASP C 1.0 -131.2 -71.2 PHI 114 114 A 84 ASP N A 84 ASP CA A 84 ASP C A 85 PHE N 1.0 101.8 161.8 PSI 115 115 A 84 ASP C A 85 PHE N A 85 PHE CA A 85 PHE C 1.0 -154.8 -94.8 PHI 116 116 A 85 PHE N A 85 PHE CA A 85 PHE C A 86 VAL N 1.0 121.4 181.4 PSI 117 117 A 85 PHE C A 86 VAL N A 86 VAL CA A 86 VAL C 1.0 -161.7 -101.7 PHI 118 118 A 86 VAL N A 86 VAL CA A 86 VAL C A 87 VAL N 1.0 99.0 159.0 PSI 119 119 A 86 VAL C A 87 VAL N A 87 VAL CA A 87 VAL C 1.0 -134.9 -74.9 PHI 120 120 A 87 VAL N A 87 VAL CA A 87 VAL C A 88 VAL N 1.0 93.4 153.4 PSI 121 121 A 87 VAL C A 88 VAL N A 88 VAL CA A 88 VAL C 1.0 -144.9 -84.9 PHI 122 122 A 88 VAL N A 88 VAL CA A 88 VAL C A 89 ALA N 1.0 98.3 158.3 PSI 123 123 A 88 VAL C A 89 ALA N A 89 ALA CA A 89 ALA C 1.0 -145.8 -85.8 PHI 124 124 A 89 ALA N A 89 ALA CA A 89 ALA C A 90 LYS N 1.0 100.2 160.2 PSI 125 125 A 89 ALA C A 90 LYS N A 90 LYS CA A 90 LYS C 1.0 -110.0 -50.0 PHI 126 126 A 90 LYS N A 90 LYS CA A 90 LYS C A 91 LYS N 1.0 128.0 188.0 PSI 127 127 A 90 LYS C A 91 LYS N A 91 LYS CA A 91 LYS C 1.0 -94.5 -34.5 PHI 128 128 A 91 LYS N A 91 LYS CA A 91 LYS C A 92 GLY N 1.0 104.5 164.5 PSI 129 129 A 92 GLY C A 93 VAL N A 93 VAL CA A 93 VAL C 1.0 -87.9 -27.9 PHI 130 130 A 93 VAL N A 93 VAL CA A 93 VAL C A 94 ALA N 1.0 -64.2 -4.2 PSI 131 131 A 93 VAL C A 94 ALA N A 94 ALA CA A 94 ALA C 1.0 -94.9 -34.9 PHI 132 132 A 94 ALA N A 94 ALA CA A 94 ALA C A 95 ASP N 1.0 -62.6 -2.6 PSI 133 133 A 94 ALA C A 95 ASP N A 95 ASP CA A 95 ASP C 1.0 -122.4 -62.4 PHI 134 134 A 95 ASP N A 95 ASP CA A 95 ASP C A 96 LEU N 1.0 -42.8 17.2 PSI 135 135 A 96 LEU C A 97 ASP N A 97 ASP CA A 97 ASP C 1.0 -106.3 -46.3 PHI 136 136 A 97 ASP N A 97 ASP CA A 97 ASP C A 98 ASN N 1.0 130.4 190.4 PSI 137 137 A 97 ASP C A 98 ASN N A 98 ASN CA A 98 ASN C 1.0 -90.8 -30.8 PHI 138 138 A 98 ASN N A 98 ASN CA A 98 ASN C A 99 ARG N 1.0 -64.1 -4.1 PSI 139 139 A 98 ASN C A 99 ARG N A 99 ARG CA A 99 ARG C 1.0 -94.2 -34.2 PHI 140 140 A 99 ARG N A 99 ARG CA A 99 ARG C A 100 ALA N 1.0 -67.8 -7.8 PSI 141 141 A 99 ARG C A 100 ALA N A 100 ALA CA A 100 ALA C 1.0 -97.1 -37.1 PHI 142 142 A 100 ALA N A 100 ALA CA A 100 ALA C A 101 LEU N 1.0 -68.3 -8.3 PSI 143 143 A 100 ALA C A 101 LEU N A 101 LEU CA A 101 LEU C 1.0 -95.4 -35.4 PHI 144 144 A 101 LEU N A 101 LEU CA A 101 LEU C A 102 SER N 1.0 -67.2 -7.2 PSI 145 145 A 101 LEU C A 102 SER N A 102 SER CA A 102 SER C 1.0 -97.8 -37.8 PHI 146 146 A 102 SER N A 102 SER CA A 102 SER C A 103 GLU N 1.0 -69.4 -9.4 PSI 147 147 A 102 SER C A 103 GLU N A 103 GLU CA A 103 GLU C 1.0 -96.7 -36.7 PHI 148 148 A 103 GLU N A 103 GLU CA A 103 GLU C A 104 ALA N 1.0 -71.2 -11.2 PSI 149 149 A 103 GLU C A 104 ALA N A 104 ALA CA A 104 ALA C 1.0 -95.5 -35.5 PHI 150 150 A 104 ALA N A 104 ALA CA A 104 ALA C A 105 LEU N 1.0 -70.6 -10.6 PSI 151 151 A 104 ALA C A 105 LEU N A 105 LEU CA A 105 LEU C 1.0 -95.3 -35.3 PHI 152 152 A 105 LEU N A 105 LEU CA A 105 LEU C A 106 GLU N 1.0 -68.6 -8.6 PSI 153 153 A 105 LEU C A 106 GLU N A 106 GLU CA A 106 GLU C 1.0 -92.3 -32.3 PHI 154 154 A 106 GLU N A 106 GLU CA A 106 GLU C A 107 LYS N 1.0 -72.0 -12.0 PSI 155 155 A 106 GLU C A 107 LYS N A 107 LYS CA A 107 LYS C 1.0 -91.8 -31.8 PHI 156 156 A 107 LYS N A 107 LYS CA A 107 LYS C A 108 LEU N 1.0 -70.8 -10.8 PSI 157 157 A 107 LYS C A 108 LEU N A 108 LEU CA A 108 LEU C 1.0 -92.8 -32.8 PHI 158 158 A 108 LEU N A 108 LEU CA A 108 LEU C A 109 TRP N 1.0 -73.9 -13.9 PSI 159 159 A 108 LEU C A 109 TRP N A 109 TRP CA A 109 TRP C 1.0 -92.1 -32.1 PHI 160 160 A 109 TRP N A 109 TRP CA A 109 TRP C A 110 ARG N 1.0 -73.1 -13.1 PSI 161 161 A 109 TRP C A 110 ARG N A 110 ARG CA A 110 ARG C 1.0 -93.2 -33.2 PHI 162 162 A 110 ARG N A 110 ARG CA A 110 ARG C A 111 ARG N 1.0 -70.1 -10.1 PSI 163 163 A 110 ARG C A 111 ARG N A 111 ARG CA A 111 ARG C 1.0 -95.9 -35.9 PHI 164 164 A 111 ARG N A 111 ARG CA A 111 ARG C A 112 HIS N 1.0 -71.8 -11.8 PSI 165 165 A 111 ARG C A 112 HIS N A 112 HIS CA A 112 HIS C 1.0 -94.4 -34.4 PHI 166 166 A 112 HIS N A 112 HIS CA A 112 HIS C A 113 CYS N 1.0 -75.7 -15.7 PSI 167 167 A 112 HIS C A 113 CYS N A 113 CYS CA A 113 CYS C 1.0 -93.7 -33.7 PHI 168 168 A 113 CYS N A 113 CYS CA A 113 CYS C A 114 ARG N 1.0 -69.9 -9.9 PSI 169 169 A 113 CYS C A 114 ARG N A 114 ARG CA A 114 ARG C 1.0 -93.1 -33.1 PHI 170 170 A 114 ARG N A 114 ARG CA A 114 ARG C A 115 LEU N 1.0 -73.2 -13.2 PSI 171 171 A 114 ARG C A 115 LEU N A 115 LEU CA A 115 LEU C 1.0 -92.9 -32.9 PHI 172 172 A 115 LEU N A 115 LEU CA A 115 LEU C A 116 ALA N 1.0 -70.6 -10.6 PSI 173 173 A 115 LEU C A 116 ALA N A 116 ALA CA A 116 ALA C 1.0 -97.3 -37.3 PHI 174 174 A 116 ALA N A 116 ALA CA A 116 ALA C A 117 ARG N 1.0 -52.1 7.9 PSI 175 175 A 116 ALA C A 117 ARG N A 117 ARG CA A 117 ARG C 1.0 -122.4 -62.4 PHI 176 176 A 117 ARG N A 117 ARG CA A 117 ARG C A 118 GLY N 1.0 -43.3 16.7 PSI stop_ save_ save_15N-noesy-hsqc _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 15N-noesy-hsqc _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 3 15N 2000 2 1H 7500 1 1H 7500 stop_ save_ save_13C_NOESY-HSQC_aliphatic _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 13C_NOESY-HSQC_aliphatic _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 3 13C 9700 2 1H 7500 1 1H 7500 stop_ save_