data_nef_c34112_5nca save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5NCA stop_ 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 40 THR start . . 2 A 41 LYS middle . . 3 A 42 GLN middle . . 4 A 43 LYS middle . . 5 A 44 GLU middle . . 6 A 45 ALA middle . . 7 A 46 VAL middle . . 8 A 47 ASN middle . . 9 A 48 ASP middle . . 10 A 49 LYS middle . . 11 A 50 GLY middle . false 12 A 51 LYS middle . . 13 A 52 ALA middle . . 14 A 53 ALA middle . . 15 A 54 VAL middle . . 16 A 55 VAL middle . . 17 A 56 LYS middle . . 18 A 57 VAL middle . . 19 A 58 VAL middle . . 20 A 59 GLU middle . . 21 A 60 SER middle . . 22 A 61 GLN middle . . 23 A 62 ALA middle . . 24 A 63 GLU middle . . 25 A 64 LEU middle . . 26 A 65 TYR middle . . 27 A 66 SER middle . . 28 A 67 LEU middle . . 29 A 68 GLU middle . . 30 A 69 LYS middle . . 31 A 70 ASN middle . . 32 A 71 GLU middle . . 33 A 72 ASP middle . . 34 A 73 ALA middle . . 35 A 74 SER middle . . 36 A 75 LEU middle . . 37 A 76 ARG middle . . 38 A 77 LYS middle . . 39 A 78 LEU middle . . 40 A 79 GLN middle . . 41 A 80 ALA middle . . 42 A 81 ASP middle . . 43 A 82 GLY middle . false 44 A 83 ARG middle . . 45 A 84 ILE middle . . 46 A 85 THR middle . . 47 A 86 GLU middle . . 48 A 87 GLU middle . . 49 A 88 GLN middle . . 50 A 89 ALA middle . . 51 A 90 LYS middle . . 52 A 91 ALA middle . . 53 A 92 TYR middle . . 54 A 93 LYS middle . . 55 A 94 GLU middle . . 56 A 95 TYR middle . . 57 A 96 ASN middle . . 58 A 97 ASP middle . . 59 A 98 LYS middle . . 60 A 99 ASN middle . . 61 A 100 GLY middle . false 62 A 101 GLY middle . false 63 A 102 ALA middle . . 64 A 103 ASN middle . . 65 A 104 ARG middle . . 66 A 105 LYS middle . . 67 A 106 VAL middle . . 68 A 107 ASN middle . . 69 A 108 ASP end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 40 THR HA H 1 4.256 0.000 A 40 THR HG2% H 1 1.192 0.000 A 40 THR C C 13 174.350 0.000 A 40 THR CA C 13 62.062 0.090 A 40 THR CB C 13 69.666 0.000 A 40 THR CG2 C 13 21.323 0.000 A 40 THR N N 15 116.074 0.017 A 41 LYS H H 1 8.442 0.009 A 41 LYS HA H 1 4.277 0.000 A 41 LYS HBx H 1 1.751 0.000 A 41 LYS HEx H 1 2.975 0.000 A 41 LYS CA C 13 56.353 0.000 A 41 LYS N N 15 124.190 0.095 A 42 GLN C C 13 176.012 0.000 A 42 GLN CA C 13 55.795 0.000 A 42 GLN CB C 13 29.216 0.000 A 43 LYS H H 1 8.479 0.007 A 43 LYS HA H 1 4.247 0.014 A 43 LYS HBy H 1 1.809 0.003 A 43 LYS HBx H 1 1.734 0.017 A 43 LYS HDx H 1 1.655 0.008 A 43 LYS HEx H 1 2.977 0.004 A 43 LYS HEy H 1 2.983 0.003 A 43 LYS HGx H 1 1.424 0.005 A 43 LYS C C 13 176.560 0.000 A 43 LYS CA C 13 56.591 0.023 A 43 LYS CB C 13 32.753 0.048 A 43 LYS CD C 13 28.891 0.030 A 43 LYS CE C 13 41.846 0.044 A 43 LYS CG C 13 24.500 0.065 A 43 LYS N N 15 123.244 0.036 A 44 GLU H H 1 8.522 0.009 A 44 GLU HA H 1 4.225 0.006 A 44 GLU HBy H 1 2.005 0.028 A 44 GLU HBx H 1 1.922 0.012 A 44 GLU HGx H 1 2.268 0.009 A 44 GLU HGy H 1 2.275 0.003 A 44 GLU CA C 13 56.397 0.059 A 44 GLU CB C 13 30.131 0.076 A 44 GLU CG C 13 36.035 0.028 A 44 GLU N N 15 122.575 0.035 A 45 ALA H H 1 8.488 0.008 A 45 ALA HA H 1 4.311 0.009 A 45 ALA HB% H 1 1.370 0.004 A 45 ALA C C 13 177.839 0.000 A 45 ALA CA C 13 52.238 0.055 A 45 ALA CB C 13 18.954 0.045 A 45 ALA N N 15 125.857 0.071 A 46 VAL H H 1 8.254 0.008 A 46 VAL HA H 1 4.018 0.010 A 46 VAL HB H 1 2.044 0.005 A 46 VAL HGx% H 1 0.923 0.002 A 46 VAL HGy% H 1 0.929 0.004 A 46 VAL CA C 13 62.497 0.037 A 46 VAL CB C 13 32.469 0.049 A 46 VAL CGy C 13 20.810 0.019 A 46 VAL N N 15 119.954 0.038 A 47 ASN C C 13 173.852 0.000 A 47 ASN CA C 13 53.120 0.000 A 47 ASN CB C 13 39.026 0.000 A 48 ASP H H 1 7.996 0.004 A 48 ASP HA H 1 4.337 0.000 A 48 ASP HBx H 1 2.579 0.000 A 48 ASP CA C 13 55.797 0.000 A 48 ASP CB C 13 41.852 0.000 A 48 ASP N N 15 126.467 0.036 A 49 LYS C C 13 178.025 0.000 A 49 LYS CA C 13 56.614 0.000 A 49 LYS CB C 13 32.270 0.000 A 49 LYS CD C 13 28.713 0.000 A 49 LYS CE C 13 41.934 0.000 A 49 LYS CG C 13 24.498 0.000 A 50 GLY H H 1 8.497 0.006 A 50 GLY HAx H 1 3.919 0.000 A 50 GLY C C 13 177.199 0.000 A 50 GLY CA C 13 45.297 0.038 A 50 GLY N N 15 109.164 0.097 A 51 LYS H H 1 8.145 0.004 A 51 LYS HEx H 1 3.023 0.000 A 51 LYS HGx H 1 1.419 0.000 A 51 LYS CA C 13 55.261 0.000 A 51 LYS CB C 13 31.451 0.000 A 51 LYS CD C 13 29.656 0.000 A 51 LYS CE C 13 41.366 0.000 A 51 LYS CG C 13 24.767 0.000 A 51 LYS N N 15 120.317 0.025 A 52 ALA H H 1 8.493 0.003 A 52 ALA N N 15 125.894 0.096 A 53 ALA C C 13 177.630 0.000 A 53 ALA CA C 13 52.192 0.000 A 53 ALA CB C 13 19.011 0.000 A 54 VAL H H 1 8.226 0.019 A 54 VAL HA H 1 4.048 0.000 A 54 VAL HB H 1 1.998 0.000 A 54 VAL HGx% H 1 0.908 0.000 A 54 VAL CA C 13 62.014 0.000 A 54 VAL CB C 13 32.500 0.019 A 54 VAL N N 15 120.523 0.273 A 55 VAL C C 13 177.125 0.000 A 55 VAL CA C 13 66.607 0.000 A 55 VAL CB C 13 31.309 0.000 A 56 LYS H H 1 7.602 0.004 A 56 LYS HA H 1 4.135 0.000 A 56 LYS HBx H 1 1.889 0.000 A 56 LYS HDx H 1 1.696 0.000 A 56 LYS HEx H 1 2.928 0.000 A 56 LYS HGx H 1 1.471 0.000 A 56 LYS CA C 13 59.046 0.000 A 56 LYS CB C 13 32.036 0.000 A 56 LYS N N 15 117.591 0.038 A 58 VAL H H 1 8.013 0.003 A 58 VAL HA H 1 3.836 0.000 A 58 VAL HB H 1 2.253 0.000 A 58 VAL HGx% H 1 1.106 0.022 A 58 VAL HGy% H 1 0.937 0.000 A 58 VAL C C 13 177.722 0.000 A 58 VAL CA C 13 67.069 0.041 A 58 VAL CB C 13 31.432 0.000 A 58 VAL CGy C 13 22.778 0.091 A 58 VAL CGx C 13 20.301 0.000 A 58 VAL N N 15 117.300 0.077 A 59 GLU H H 1 8.598 0.003 A 59 GLU HA H 1 4.248 0.000 A 59 GLU HBx H 1 2.085 0.000 A 59 GLU C C 13 179.780 0.000 A 59 GLU CA C 13 60.131 0.034 A 59 GLU CB C 13 28.380 0.066 A 59 GLU CG C 13 38.191 0.000 A 59 GLU N N 15 116.754 0.053 A 60 SER H H 1 8.364 0.022 A 60 SER HA H 1 4.282 0.027 A 60 SER HBx H 1 4.003 0.009 A 60 SER HBy H 1 4.003 0.010 A 60 SER HG H 1 4.928 0.002 A 60 SER CA C 13 61.871 0.079 A 60 SER CB C 13 62.682 0.101 A 60 SER N N 15 115.944 0.058 A 61 GLN C C 13 178.765 0.000 A 61 GLN CA C 13 57.844 0.000 A 61 GLN CB C 13 27.640 0.000 A 62 ALA H H 1 8.602 0.005 A 62 ALA HA H 1 3.865 0.009 A 62 ALA HB% H 1 1.403 0.009 A 62 ALA C C 13 178.796 0.000 A 62 ALA CA C 13 55.592 0.059 A 62 ALA CB C 13 19.042 0.020 A 62 ALA N N 15 123.035 0.030 A 63 GLU H H 1 7.761 0.006 A 63 GLU HA H 1 4.316 0.000 A 63 GLU HBx H 1 2.189 0.000 A 63 GLU HGy H 1 2.450 0.001 A 63 GLU HGx H 1 2.033 0.000 A 63 GLU C C 13 179.282 0.000 A 63 GLU CA C 13 59.454 0.123 A 63 GLU CB C 13 29.513 0.007 A 63 GLU CG C 13 36.054 0.000 A 63 GLU N N 15 118.694 0.049 A 64 LEU H H 1 7.757 0.012 A 64 LEU HA H 1 4.121 0.018 A 64 LEU HBx H 1 1.683 0.047 A 64 LEU HBy H 1 1.854 0.009 A 64 LEU HDx% H 1 0.915 0.000 A 64 LEU HDy% H 1 0.566 0.003 A 64 LEU HG H 1 1.737 0.005 A 64 LEU C C 13 178.783 0.000 A 64 LEU CA C 13 57.870 0.100 A 64 LEU CB C 13 41.692 0.023 A 64 LEU CDy C 13 26.041 0.000 A 64 LEU CG C 13 26.750 0.011 A 64 LEU N N 15 119.509 0.120 A 65 TYR H H 1 8.599 0.010 A 65 TYR HA H 1 3.859 0.012 A 65 TYR HBy H 1 3.287 0.014 A 65 TYR HBx H 1 2.829 0.011 A 65 TYR HDx H 1 6.878 0.000 A 65 TYR HDy H 1 6.878 0.000 A 65 TYR C C 13 176.939 0.000 A 65 TYR CA C 13 62.003 0.067 A 65 TYR CB C 13 39.429 0.121 A 65 TYR N N 15 120.318 0.074 A 66 SER H H 1 8.430 0.011 A 66 SER HA H 1 4.639 0.010 A 66 SER HBy H 1 4.044 0.021 A 66 SER HBx H 1 3.868 0.000 A 66 SER C C 13 177.565 0.000 A 66 SER CA C 13 62.176 0.064 A 66 SER CB C 13 63.231 0.106 A 66 SER N N 15 114.856 0.031 A 67 LEU H H 1 7.809 0.008 A 67 LEU HA H 1 4.167 0.000 A 67 LEU HBy H 1 1.843 0.000 A 67 LEU HBx H 1 1.655 0.000 A 67 LEU HDx% H 1 0.914 0.002 A 67 LEU HG H 1 1.751 0.000 A 67 LEU C C 13 178.719 0.000 A 67 LEU CA C 13 57.368 0.000 A 67 LEU CB C 13 42.204 0.053 A 67 LEU CDy C 13 24.567 0.000 A 67 LEU CDx C 13 23.138 0.000 A 67 LEU N N 15 122.131 0.029 A 68 GLU H H 1 7.963 0.008 A 68 GLU HA H 1 4.027 0.000 A 68 GLU HBx H 1 1.995 0.008 A 68 GLU HGx H 1 2.399 0.000 A 68 GLU C C 13 178.583 0.000 A 68 GLU CA C 13 58.616 0.006 A 68 GLU CB C 13 30.516 0.000 A 68 GLU N N 15 117.892 0.031 A 69 LYS H H 1 8.448 0.003 A 69 LYS C C 13 176.509 0.000 A 69 LYS CA C 13 55.078 0.035 A 69 LYS CB C 13 32.556 0.007 A 69 LYS N N 15 114.118 0.030 A 70 ASN H H 1 8.115 0.007 A 70 ASN HA H 1 4.444 0.000 A 70 ASN HBy H 1 3.074 0.003 A 70 ASN HBx H 1 2.677 0.001 A 70 ASN HD2x H 1 7.054 0.000 A 70 ASN C C 13 173.450 0.000 A 70 ASN CA C 13 54.156 0.013 A 70 ASN CB C 13 36.986 0.030 A 70 ASN N N 15 116.650 0.052 A 71 GLU H H 1 7.054 0.007 A 71 GLU HA H 1 4.249 0.000 A 71 GLU HBx H 1 1.869 0.005 A 71 GLU HBy H 1 2.052 0.009 A 71 GLU HGx H 1 2.120 0.000 A 71 GLU C C 13 174.458 0.000 A 71 GLU CA C 13 54.049 0.002 A 71 GLU CB C 13 32.966 0.079 A 71 GLU CG C 13 35.201 0.000 A 71 GLU N N 15 112.264 0.032 A 72 ASP H H 1 8.638 0.014 A 72 ASP HA H 1 4.536 0.015 A 72 ASP HBy H 1 2.664 0.016 A 72 ASP HBx H 1 2.533 0.020 A 72 ASP C C 13 176.094 0.000 A 72 ASP CA C 13 54.647 0.038 A 72 ASP CB C 13 40.712 0.112 A 72 ASP N N 15 119.898 0.061 A 73 ALA H H 1 8.875 0.005 A 73 ALA HA H 1 4.000 0.007 A 73 ALA HB% H 1 1.302 0.003 A 73 ALA C C 13 175.744 0.000 A 73 ALA CA C 13 51.288 0.000 A 73 ALA CB C 13 20.443 0.067 A 73 ALA N N 15 122.813 0.020 A 74 SER H H 1 6.556 0.005 A 74 SER HA H 1 4.719 0.016 A 74 SER HBx H 1 3.708 0.005 A 74 SER HBy H 1 4.204 0.007 A 74 SER C C 13 174.320 0.000 A 74 SER CA C 13 55.559 0.021 A 74 SER CB C 13 66.318 0.054 A 74 SER N N 15 111.773 0.080 A 75 LEU H H 1 9.642 0.007 A 75 LEU HA H 1 3.774 0.000 A 75 LEU HBy H 1 2.217 0.004 A 75 LEU HBx H 1 1.364 0.021 A 75 LEU HDx% H 1 0.550 0.011 A 75 LEU HG H 1 1.678 0.007 A 75 LEU C C 13 179.383 0.000 A 75 LEU CA C 13 58.537 0.013 A 75 LEU CB C 13 40.873 0.020 A 75 LEU N N 15 123.481 0.046 A 76 ARG H H 1 8.212 0.011 A 76 ARG HA H 1 3.935 0.008 A 76 ARG HBy H 1 1.845 0.010 A 76 ARG HBx H 1 1.728 0.002 A 76 ARG HDy H 1 3.158 0.023 A 76 ARG HDx H 1 3.154 0.017 A 76 ARG HGy H 1 1.705 0.022 A 76 ARG HGx H 1 1.646 0.017 A 76 ARG C C 13 179.508 0.000 A 76 ARG CA C 13 59.567 0.092 A 76 ARG CB C 13 30.129 0.060 A 76 ARG CD C 13 43.103 0.054 A 76 ARG CG C 13 26.856 0.067 A 76 ARG N N 15 118.684 0.051 A 77 LYS H H 1 7.768 0.006 A 77 LYS HA H 1 3.962 0.006 A 77 LYS HBx H 1 1.720 0.000 A 77 LYS HDx H 1 1.665 0.001 A 77 LYS HEx H 1 2.951 0.002 A 77 LYS HEy H 1 2.962 0.009 A 77 LYS HGx H 1 1.292 0.000 A 77 LYS C C 13 179.211 0.000 A 77 LYS CA C 13 59.396 0.018 A 77 LYS CB C 13 32.521 0.025 A 77 LYS CD C 13 29.135 0.045 A 77 LYS CE C 13 41.924 0.032 A 77 LYS N N 15 120.013 0.054 A 78 LEU H H 1 8.162 0.008 A 78 LEU HA H 1 3.759 0.017 A 78 LEU HBy H 1 1.846 0.006 A 78 LEU HBx H 1 1.117 0.005 A 78 LEU HDx% H 1 0.554 0.030 A 78 LEU HDy% H 1 0.765 0.000 A 78 LEU HG H 1 1.589 0.002 A 78 LEU C C 13 179.106 0.000 A 78 LEU CA C 13 57.590 0.021 A 78 LEU CB C 13 42.388 0.032 A 78 LEU CDx C 13 25.745 0.060 A 78 LEU CG C 13 26.369 0.085 A 78 LEU N N 15 117.115 0.067 A 79 GLN H H 1 8.241 0.005 A 79 GLN HA H 1 4.277 0.008 A 79 GLN HBy H 1 2.081 0.019 A 79 GLN HBx H 1 2.003 0.000 A 79 GLN HE2x H 1 6.947 0.000 A 79 GLN HGx H 1 2.212 0.002 A 79 GLN C C 13 179.897 0.000 A 79 GLN CA C 13 58.674 0.011 A 79 GLN CB C 13 29.563 0.000 A 79 GLN CG C 13 34.859 0.047 A 79 GLN N N 15 119.573 0.173 A 80 ALA H H 1 8.242 0.006 A 80 ALA HA H 1 4.140 0.005 A 80 ALA HB% H 1 1.508 0.006 A 80 ALA C C 13 178.868 0.000 A 80 ALA CA C 13 54.877 0.076 A 80 ALA CB C 13 17.775 0.029 A 80 ALA N N 15 123.713 0.041 A 81 ASP H H 1 7.606 0.009 A 81 ASP HA H 1 4.555 0.008 A 81 ASP HBy H 1 2.743 0.035 A 81 ASP HBx H 1 2.736 0.037 A 81 ASP C C 13 176.415 0.000 A 81 ASP CA C 13 54.046 0.180 A 81 ASP CB C 13 42.456 0.060 A 81 ASP N N 15 114.651 0.046 A 82 GLY H H 1 7.923 0.011 A 82 GLY HAy H 1 4.076 0.016 A 82 GLY HAx H 1 3.914 0.007 A 82 GLY C C 13 174.977 0.000 A 82 GLY CA C 13 45.725 0.104 A 82 GLY N N 15 107.011 0.033 A 83 ARG H H 1 8.249 0.006 A 83 ARG HA H 1 4.126 0.009 A 83 ARG HBy H 1 2.114 0.024 A 83 ARG HBx H 1 1.626 0.008 A 83 ARG HDx H 1 3.121 0.003 A 83 ARG HGx H 1 1.799 0.016 A 83 ARG C C 13 176.562 0.000 A 83 ARG CA C 13 57.606 0.070 A 83 ARG CB C 13 31.194 0.077 A 83 ARG N N 15 117.558 0.055 A 84 ILE H H 1 6.957 0.012 A 84 ILE HA H 1 4.311 0.042 A 84 ILE HB H 1 2.058 0.012 A 84 ILE HD1% H 1 0.681 0.002 A 84 ILE HG1x H 1 1.132 0.011 A 84 ILE HG1y H 1 1.503 0.000 A 84 ILE HG2% H 1 0.692 0.005 A 84 ILE CA C 13 58.015 0.005 A 84 ILE CB C 13 41.029 0.049 A 84 ILE CD1 C 13 14.868 0.042 A 84 ILE CG2 C 13 16.929 0.100 A 84 ILE N N 15 106.157 0.070 A 85 THR HA H 1 4.528 0.000 A 85 THR C C 13 175.285 0.000 A 85 THR CA C 13 59.665 0.000 A 85 THR CB C 13 71.373 0.000 A 86 GLU H H 1 9.110 0.004 A 86 GLU HA H 1 3.986 0.000 A 86 GLU HBx H 1 1.983 0.014 A 86 GLU HBy H 1 2.068 0.010 A 86 GLU HGy H 1 2.227 0.018 A 86 GLU HGx H 1 2.064 0.009 A 86 GLU C C 13 178.557 0.000 A 86 GLU CA C 13 59.368 0.097 A 86 GLU CB C 13 29.231 0.070 A 86 GLU CG C 13 34.897 0.079 A 86 GLU N N 15 121.936 0.045 A 87 GLU H H 1 8.605 0.006 A 87 GLU HA H 1 3.966 0.007 A 87 GLU HBy H 1 2.049 0.005 A 87 GLU HBx H 1 1.938 0.005 A 87 GLU HGy H 1 2.321 0.005 A 87 GLU HGx H 1 2.313 0.009 A 87 GLU C C 13 179.914 0.000 A 87 GLU CA C 13 59.653 0.102 A 87 GLU CB C 13 29.187 0.087 A 87 GLU CG C 13 36.425 0.080 A 87 GLU N N 15 118.177 0.041 A 88 GLN H H 1 7.896 0.022 A 88 GLN HA H 1 3.990 0.033 A 88 GLN HBy H 1 2.381 0.024 A 88 GLN HBx H 1 2.378 0.025 A 88 GLN HGy H 1 2.507 0.005 A 88 GLN HGx H 1 2.344 0.009 A 88 GLN C C 13 177.840 0.000 A 88 GLN CA C 13 58.644 0.098 A 88 GLN CB C 13 27.924 0.092 A 88 GLN CG C 13 34.511 0.039 A 88 GLN N N 15 120.253 0.063 A 89 ALA H H 1 8.294 0.004 A 89 ALA HA H 1 3.861 0.000 A 89 ALA HB% H 1 1.435 0.000 A 89 ALA C C 13 179.303 0.000 A 89 ALA CA C 13 55.596 0.149 A 89 ALA CB C 13 18.258 0.014 A 89 ALA N N 15 121.648 0.073 A 90 LYS H H 1 8.399 0.013 A 90 LYS HA H 1 3.940 0.003 A 90 LYS HBy H 1 1.869 0.005 A 90 LYS HBx H 1 1.545 0.000 A 90 LYS HDx H 1 1.663 0.003 A 90 LYS HEx H 1 2.971 0.011 A 90 LYS HEy H 1 2.971 0.011 A 90 LYS HGx H 1 1.388 0.014 A 90 LYS C C 13 179.016 0.000 A 90 LYS CA C 13 59.692 0.010 A 90 LYS CB C 13 32.519 0.063 A 90 LYS CD C 13 28.963 0.000 A 90 LYS CG C 13 24.926 0.095 A 90 LYS N N 15 117.755 0.040 A 91 ALA H H 1 8.147 0.011 A 91 ALA HA H 1 4.217 0.006 A 91 ALA HB% H 1 1.557 0.008 A 91 ALA C C 13 180.243 0.000 A 91 ALA CA C 13 54.661 0.057 A 91 ALA CB C 13 18.243 0.050 A 91 ALA N N 15 121.452 0.056 A 92 TYR H H 1 8.625 0.008 A 92 TYR HA H 1 3.874 0.004 A 92 TYR HBx H 1 3.035 0.008 A 92 TYR HBy H 1 3.261 0.004 A 92 TYR HDx H 1 7.008 0.006 A 92 TYR HDy H 1 7.008 0.006 A 92 TYR C C 13 177.894 0.000 A 92 TYR CA C 13 62.328 0.031 A 92 TYR CB C 13 39.046 0.088 A 92 TYR N N 15 120.671 0.053 A 93 LYS H H 1 8.359 0.005 A 93 LYS HA H 1 3.948 0.005 A 93 LYS HBx H 1 1.948 0.000 A 93 LYS HDx H 1 1.436 0.000 A 93 LYS HEx H 1 2.951 0.000 A 93 LYS HEy H 1 2.953 0.002 A 93 LYS HGx H 1 1.697 0.012 A 93 LYS C C 13 178.109 0.000 A 93 LYS CA C 13 60.113 0.035 A 93 LYS CB C 13 32.053 0.007 A 93 LYS CD C 13 29.035 0.000 A 93 LYS CE C 13 41.784 0.098 A 93 LYS CG C 13 24.907 0.132 A 93 LYS N N 15 121.376 0.063 A 94 GLU H H 1 8.297 0.023 A 94 GLU HA H 1 4.018 0.012 A 94 GLU HBy H 1 2.101 0.002 A 94 GLU HBx H 1 2.007 0.019 A 94 GLU HGy H 1 2.449 0.004 A 94 GLU HGx H 1 2.213 0.008 A 94 GLU C C 13 178.620 0.000 A 94 GLU CA C 13 59.237 0.020 A 94 GLU CB C 13 29.473 0.035 A 94 GLU CG C 13 36.220 0.035 A 94 GLU N N 15 118.394 0.039 A 95 TYR H H 1 8.140 0.005 A 95 TYR HA H 1 4.082 0.000 A 95 TYR HBy H 1 3.026 0.000 A 95 TYR HBx H 1 2.808 0.000 A 95 TYR HDx H 1 7.079 0.000 A 95 TYR HDy H 1 7.079 0.000 A 95 TYR HEx H 1 6.815 0.000 A 95 TYR HEy H 1 6.815 0.000 A 95 TYR C C 13 177.729 0.000 A 95 TYR CA C 13 60.931 0.069 A 95 TYR CB C 13 38.178 0.050 A 95 TYR N N 15 119.027 0.031 A 96 ASN H H 1 7.745 0.008 A 96 ASN HA H 1 4.242 0.006 A 96 ASN HBy H 1 2.589 0.018 A 96 ASN HBx H 1 2.520 0.015 A 96 ASN HD2x H 1 6.815 0.000 A 96 ASN HD2y H 1 6.962 0.000 A 96 ASN C C 13 176.655 0.000 A 96 ASN CA C 13 55.923 0.065 A 96 ASN CB C 13 39.149 0.062 A 96 ASN N N 15 117.094 0.036 A 97 ASP H H 1 8.705 0.012 A 97 ASP HA H 1 4.317 0.007 A 97 ASP HBy H 1 2.764 0.006 A 97 ASP HBx H 1 2.625 0.009 A 97 ASP C C 13 178.791 0.000 A 97 ASP CA C 13 56.681 0.018 A 97 ASP CB C 13 39.994 0.018 A 97 ASP N N 15 121.247 0.034 A 98 LYS H H 1 7.752 0.011 A 98 LYS HA H 1 4.128 0.010 A 98 LYS HBx H 1 1.788 0.005 A 98 LYS HDx H 1 1.609 0.000 A 98 LYS HEx H 1 2.756 0.011 A 98 LYS HGx H 1 1.445 0.000 A 98 LYS C C 13 177.151 0.000 A 98 LYS CA C 13 57.747 0.046 A 98 LYS CB C 13 32.426 0.034 A 98 LYS CD C 13 28.757 0.000 A 98 LYS CE C 13 41.965 0.124 A 98 LYS CG C 13 24.716 0.000 A 98 LYS N N 15 118.464 0.093 A 99 ASN H H 1 7.552 0.005 A 99 ASN HA H 1 4.736 0.014 A 99 ASN HBy H 1 2.618 0.016 A 99 ASN HBx H 1 2.574 0.008 A 99 ASN C C 13 175.985 0.000 A 99 ASN CA C 13 52.786 0.116 A 99 ASN CB C 13 38.815 0.076 A 99 ASN N N 15 115.752 0.020 A 100 GLY H H 1 7.929 0.005 A 100 GLY HAy H 1 4.081 0.009 A 100 GLY HAx H 1 3.880 0.007 A 100 GLY C C 13 175.191 0.000 A 100 GLY CA C 13 45.969 0.014 A 100 GLY N N 15 108.830 0.033 A 101 GLY H H 1 8.499 0.012 A 101 GLY HAx H 1 3.813 0.010 A 101 GLY HAy H 1 3.964 0.017 A 101 GLY C C 13 174.987 0.000 A 101 GLY CA C 13 45.889 0.029 A 101 GLY N N 15 108.870 0.061 A 102 ALA H H 1 7.934 0.005 A 102 ALA HA H 1 4.175 0.023 A 102 ALA HB% H 1 1.381 0.012 A 102 ALA C C 13 177.810 0.000 A 102 ALA CA C 13 53.402 0.095 A 102 ALA CB C 13 18.676 0.105 A 102 ALA N N 15 123.298 0.048 A 103 ASN H H 1 8.759 0.006 A 103 ASN HA H 1 4.661 0.006 A 103 ASN HBy H 1 2.891 0.000 A 103 ASN HBx H 1 2.695 0.000 A 103 ASN C C 13 174.511 0.000 A 103 ASN CA C 13 52.692 0.002 A 103 ASN CB C 13 38.583 0.046 A 103 ASN N N 15 115.815 0.039 A 104 ARG H H 1 7.782 0.022 A 104 ARG HA H 1 4.087 0.013 A 104 ARG HBx H 1 1.803 0.002 A 104 ARG HDx H 1 3.151 0.016 A 104 ARG HDy H 1 3.151 0.016 A 104 ARG HGy H 1 1.576 0.012 A 104 ARG HGx H 1 1.442 0.001 A 104 ARG C C 13 176.481 0.000 A 104 ARG CA C 13 56.717 0.106 A 104 ARG CB C 13 30.535 0.067 A 104 ARG CD C 13 43.714 0.011 A 104 ARG CG C 13 27.300 0.038 A 104 ARG N N 15 121.423 0.045 A 105 LYS H H 1 8.336 0.013 A 105 LYS HA H 1 4.346 0.028 A 105 LYS HBy H 1 1.864 0.029 A 105 LYS HBx H 1 1.701 0.006 A 105 LYS HDx H 1 1.661 0.016 A 105 LYS HEx H 1 2.968 0.012 A 105 LYS HEy H 1 2.969 0.011 A 105 LYS HGx H 1 1.488 0.037 A 105 LYS HGy H 1 1.498 0.029 A 105 LYS C C 13 176.131 0.000 A 105 LYS CA C 13 57.021 0.079 A 105 LYS CB C 13 33.988 0.046 A 105 LYS CD C 13 28.814 0.096 A 105 LYS CE C 13 41.944 0.007 A 105 LYS CG C 13 24.974 0.109 A 105 LYS N N 15 124.411 0.105 A 106 VAL H H 1 7.720 0.012 A 106 VAL HA H 1 4.225 0.011 A 106 VAL HB H 1 1.763 0.011 A 106 VAL HGx% H 1 0.615 0.010 A 106 VAL HGy% H 1 0.893 0.023 A 106 VAL C C 13 174.901 0.000 A 106 VAL CA C 13 61.124 0.077 A 106 VAL CB C 13 32.368 0.074 A 106 VAL CGx C 13 21.277 0.044 A 106 VAL CGy C 13 23.649 0.172 A 106 VAL N N 15 118.938 0.038 A 107 ASN H H 1 8.997 0.006 A 107 ASN HA H 1 4.643 0.001 A 107 ASN HBy H 1 2.964 0.006 A 107 ASN HBx H 1 2.732 0.003 A 107 ASN C C 13 174.171 0.000 A 107 ASN CA C 13 52.978 0.018 A 107 ASN CB C 13 39.329 0.057 A 107 ASN N N 15 126.898 0.029 A 108 ASP H H 1 8.596 0.006 A 108 ASP HA H 1 4.146 0.003 A 108 ASP HBy H 1 2.646 0.012 A 108 ASP HBx H 1 2.517 0.006 A 108 ASP C C 13 181.519 0.000 A 108 ASP CA C 13 58.361 0.074 A 108 ASP CB C 13 41.083 0.039 A 108 ASP N N 15 125.496 0.033 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 107 ASN H A 106 VAL HGx% 1.0 0.0 4.94 2 2 A 107 ASN H A 106 VAL HB 1.0 0.0 4.62 3 3 A 107 ASN H A 107 ASN HBy 1.0 0.0 3.70 4 4 A 107 ASN H A 107 ASN HBx 1.0 0.0 3.70 5 5 A 107 ASN H A 106 VAL HA 1.0 0.0 3.55 6 6 A 108 ASP H A 108 ASP HBy 1.0 0.0 3.78 7 7 A 104 ARG HA A 105 LYS H 1.0 0.0 3.46 8 8 A 80 ALA H A 80 ALA HB% 1.0 0.0 2.78 9 9 A 80 ALA H A 77 LYS HA 1.0 0.0 3.84 10 10 A 80 ALA H A 81 ASP H 1.0 0.0 3.35 11 11 A 74 SER HG A 75 LEU H 1.0 0.0 3.26 12 12 A 75 LEU H A 74 SER HA 1.0 0.0 3.39 13 13 A 102 ALA H A 102 ALA HB% 1.0 0.0 3.58 14 14 A 62 ALA H A 62 ALA HB% 1.0 0.0 2.88 15 15 A 62 ALA H A 63 GLU H 1.0 0.0 3.25 16 16 A 73 ALA H A 73 ALA HB% 1.0 0.0 2.91 17 17 A 73 ALA H A 72 ASP HA 1.0 0.0 2.66 18 18 A 44 GLU H A 44 GLU HGx 1.0 0.0 5.35 19 19 A 44 GLU H A 44 GLU HGy 1.0 0.0 5.35 20 20 A 67 LEU H A 68 GLU H 1.0 0.0 4.85 21 21 A 85 THR H A 85 THR HG21 1.0 0.0 3.68 22 22 A 85 THR H A 84 ILE HB 1.0 0.0 2.90 23 23 A 85 THR HA A 86 GLU H 1.0 0.0 2.98 24 24 A 86 GLU H A 87 GLU H 1.0 0.0 3.25 25 25 A 42 GLN H A 42 GLN HGy 1.0 0.0 4.41 26 26 A 88 GLN H A 89 ALA H 1.0 0.0 3.22 27 27 A 42 GLN H A 43 LYS H 1.0 0.0 5.50 28 28 A 91 ALA H A 91 ALA HB% 1.0 0.0 2.92 29 29 A 91 ALA H A 90 LYS HBy 1.0 0.0 3.10 30 30 A 91 ALA H A 88 GLN HA 1.0 0.0 3.96 31 31 A 91 ALA H A 92 TYR H 1.0 0.0 3.47 32 32 A 104 ARG H A 104 ARG HBx 1.0 0.0 4.04 33 33 A 104 ARG H A 104 ARG HBy 1.0 0.0 4.04 34 34 A 92 TYR HDy A 93 LYS H 1.0 0.0 4.17 35 35 A 92 TYR H A 93 LYS H 1.0 0.0 3.70 36 36 A 94 GLU HA A 97 ASP H 1.0 0.0 3.63 37 37 A 97 ASP H A 96 ASN H 1.0 0.0 3.48 38 38 A 97 ASP H A 98 LYS H 1.0 0.0 3.70 39 39 A 97 ASP H A 95 TYR H 1.0 0.0 4.58 40 40 A 47 ASN H A 46 VAL HGx% 1.0 0.0 5.13 41 41 A 47 ASN H A 46 VAL HGy% 1.0 0.0 5.13 42 42 A 91 ALA HB% A 92 TYR H 1.0 0.0 3.43 43 43 A 92 TYR H A 92 TYR HDx 1.0 0.0 5.32 44 44 A 92 TYR H A 92 TYR HDy 1.0 0.0 5.50 45 45 A 92 TYR H A 90 LYS H 1.0 0.0 4.43 46 46 A 85 THR HG21 A 88 GLN H 1.0 0.0 3.99 47 47 A 88 GLN H A 88 GLN HBy 1.0 0.0 3.46 48 48 A 88 GLN H A 88 GLN HBx 1.0 0.0 3.46 49 49 A 88 GLN H A 85 THR HG1 1.0 0.0 4.30 50 50 A 87 GLU H A 88 GLN H 1.0 0.0 3.26 51 51 A 77 LYS H A 78 LEU H 1.0 0.0 3.13 52 52 A 57 VAL H A 57 VAL HG21 1.0 0.0 4.41 53 53 A 46 VAL H A 46 VAL HB 1.0 0.0 3.70 54 54 A 57 VAL H A 57 VAL HB 1.0 0.0 3.85 55 55 A 71 GLU H A 72 ASP H 1.0 0.0 4.56 56 56 A 75 LEU HA A 79 GLN H 1.0 0.0 4.09 57 57 A 95 TYR H A 95 TYR HBy 1.0 0.0 3.52 58 58 A 95 TYR H A 95 TYR HBx 1.0 0.0 3.52 59 59 A 95 TYR H A 96 ASN HA 1.0 0.0 5.50 60 60 A 95 TYR H A 95 TYR HDx 1.0 0.0 5.33 61 61 A 95 TYR H A 95 TYR HDy 1.0 0.0 5.50 62 62 A 96 ASN H A 95 TYR H 1.0 0.0 3.58 63 63 A 106 VAL HB A 106 VAL H 1.0 0.0 3.98 64 64 A 76 ARG H A 75 LEU HBy 1.0 0.0 3.76 65 65 A 76 ARG H A 75 LEU HBx 1.0 0.0 3.76 66 66 A 75 LEU H A 76 ARG H 1.0 0.0 3.75 67 67 A 76 ARG H A 76 ARG HDy 1.0 0.0 5.50 68 68 A 76 ARG H A 76 ARG HDx 1.0 0.0 5.50 69 69 A 85 THR HG21 A 87 GLU H 1.0 0.0 4.49 70 70 A 87 GLU H A 87 GLU HGy 1.0 0.0 4.26 71 71 A 87 GLU H A 87 GLU HGx 1.0 0.0 4.26 72 72 A 85 THR HA A 87 GLU H 1.0 0.0 4.27 73 73 A 87 GLU H A 85 THR HG1 1.0 0.0 3.79 74 74 A 68 GLU H A 66 SER H 1.0 0.0 4.62 75 75 A 90 LYS H A 89 ALA HB% 1.0 0.0 3.32 76 76 A 90 LYS HBy A 90 LYS H 1.0 0.0 2.90 77 77 A 91 ALA H A 90 LYS H 1.0 0.0 3.04 78 78 A 56 LYS H A 56 LYS HBx 1.0 0.0 3.60 79 79 A 56 LYS H A 56 LYS HBy 1.0 0.0 3.60 80 80 A 83 ARG H A 81 ASP HBy 1.0 0.0 4.39 81 81 A 83 ARG H A 81 ASP HBx 1.0 0.0 4.39 82 82 A 83 ARG H A 79 GLN HA 1.0 0.0 4.06 83 83 A 81 ASP H A 83 ARG H 1.0 0.0 4.48 84 84 A 83 ARG H A 82 GLY H 1.0 0.0 2.70 85 85 A 96 ASN H A 95 TYR HBy 1.0 0.0 4.03 86 86 A 96 ASN H A 95 TYR HBx 1.0 0.0 4.03 87 87 A 96 ASN H A 93 LYS HA 1.0 0.0 4.92 88 88 A 78 LEU H A 78 LEU HDx% 1.0 0.0 4.69 89 89 A 78 LEU H A 78 LEU HDy% 1.0 0.0 4.69 90 90 A 66 SER HA A 70 ASN H 1.0 0.0 4.99 91 91 A 71 GLU H A 70 ASN H 1.0 0.0 3.81 92 92 A 60 SER H A 59 GLU HBx 1.0 0.0 4.89 93 93 A 60 SER H A 59 GLU HBy 1.0 0.0 4.89 94 94 A 67 LEU H A 66 SER H 1.0 0.0 3.46 95 95 A 66 SER H A 65 TYR H 1.0 0.0 3.10 96 96 A 80 ALA HB% A 81 ASP H 1.0 0.0 3.35 97 97 A 69 LYS H A 69 LYS HBx 1.0 0.0 3.70 98 98 A 69 LYS H A 69 LYS HBy 1.0 0.0 3.70 99 99 A 66 SER HA A 69 LYS H 1.0 0.0 5.33 100 100 A 71 GLU H A 69 LYS H 1.0 0.0 4.70 101 101 A 70 ASN H A 69 LYS H 1.0 0.0 2.85 102 102 A 99 ASN H A 100 GLY H 1.0 0.0 4.31 103 103 A 100 GLY H A 101 GLY H 1.0 0.0 4.78 104 104 A 82 GLY H A 81 ASP HBy 1.0 0.0 4.53 105 105 A 82 GLY H A 81 ASP HBx 1.0 0.0 4.53 106 106 A 79 GLN HA A 82 GLY H 1.0 0.0 4.17 107 107 A 82 GLY H A 84 ILE H 1.0 0.0 4.58 108 108 A 81 ASP H A 82 GLY H 1.0 0.0 3.36 109 109 A 84 ILE H A 84 ILE HG2% 1.0 0.0 3.70 110 110 A 83 ARG H A 84 ILE H 1.0 0.0 3.04 111 111 A 65 TYR H A 65 TYR HBy 1.0 0.0 4.14 112 112 A 85 THR HA A 88 GLN H 1.0 0.0 5.06 113 113 A 86 GLU H A 85 THR HG1 1.0 0.0 4.66 114 114 A 85 THR H A 88 GLN H 1.0 0.0 5.24 115 115 A 86 GLU H A 88 GLN H 1.0 0.0 5.50 116 116 A 101 GLY H A 102 ALA HA 1.0 0.0 5.44 117 117 A 102 ALA H A 101 GLY H 1.0 0.0 2.96 118 118 A 102 ALA HB% A 103 ASN H 1.0 0.0 4.85 119 119 A 104 ARG H A 103 ASN HBy 1.0 0.0 5.05 120 120 A 104 ARG H A 103 ASN HBx 1.0 0.0 5.05 121 121 A 104 ARG H A 104 ARG HDx 1.0 0.0 5.50 122 122 A 104 ARG H A 104 ARG HDy 1.0 0.0 5.50 123 123 A 104 ARG H A 103 ASN H 1.0 0.0 4.91 124 124 A 107 ASN H A 106 VAL H 1.0 0.0 4.60 125 125 A 107 ASN H A 106 VAL HGy% 1.0 0.0 4.94 126 126 A 45 ALA H A 45 ALA HB% 1.0 0.0 2.58 127 127 A 53 ALA H A 53 ALA HB1 1.0 0.0 2.77 128 128 A 45 ALA H A 44 GLU HA 1.0 0.0 3.31 129 129 A 60 SER H A 61 GLN H 1.0 0.0 3.55 130 130 A 73 ALA HA A 74 SER H 1.0 0.0 3.00 131 131 A 74 SER H A 77 LYS HEx 1.0 0.0 5.50 132 132 A 74 SER H A 77 LYS HEy 1.0 0.0 5.50 133 133 A 99 ASN H A 98 LYS HBx 1.0 0.0 4.56 134 134 A 99 ASN H A 98 LYS HBy 1.0 0.0 4.56 135 135 A 65 TYR H A 64 LEU H 1.0 0.0 3.24 136 136 A 66 SER H A 66 SER HG 1.0 0.0 5.26 137 137 A 54 VAL HB A 55 VAL H 1.0 0.0 4.96 138 138 A 43 LYS H A 42 GLN HBy 1.0 0.0 5.50 139 139 A 78 LEU H A 74 SER H 1.0 0.0 4.81 140 140 A 43 LYS H A 42 GLN HBx 1.0 0.0 5.50 141 141 A 53 ALA HB1 A 54 VAL H 1.0 0.0 4.87 142 142 A 61 GLN H A 60 SER HG 1.0 0.0 4.21 143 143 A 105 LYS H A 105 LYS HEx 1.0 0.0 5.50 144 144 A 105 LYS H A 105 LYS HEy 1.0 0.0 5.50 145 145 A 90 LYS H A 90 LYS HEx 1.0 0.0 5.50 146 146 A 90 LYS H A 90 LYS HEy 1.0 0.0 5.50 147 147 A 77 LYS H A 77 LYS HEx 1.0 0.0 5.50 148 148 A 77 LYS H A 77 LYS HEy 1.0 0.0 5.50 149 149 A 79 GLN H A 84 ILE H 1.0 0.0 5.50 150 150 A 60 SER H A 59 GLU H 1.0 0.0 5.07 151 151 A 71 GLU H A 69 LYS HA 1.0 0.0 5.50 152 152 A 71 GLU H A 66 SER HA 1.0 0.0 4.61 153 153 A 71 GLU H A 69 LYS HBy 1.0 0.0 5.50 154 154 A 71 GLU H A 69 LYS HBx 1.0 0.0 5.50 155 155 A 73 ALA H A 74 SER H 1.0 0.0 5.50 156 156 A 75 LEU H A 74 SER H 1.0 0.0 5.50 157 157 A 76 ARG H A 74 SER H 1.0 0.0 5.50 158 158 A 74 SER HA A 76 ARG H 1.0 0.0 5.50 159 159 A 77 LYS H A 74 SER H 1.0 0.0 5.50 160 160 A 79 GLN H A 75 LEU HG 1.0 0.0 5.50 161 161 A 85 THR H A 84 ILE H 1.0 0.0 5.50 162 162 A 87 GLU H A 89 ALA HB% 1.0 0.0 5.50 163 163 A 93 LYS H A 93 LYS HGy 1.0 0.0 4.86 164 164 A 97 ASP H A 94 GLU H 1.0 0.0 5.50 165 165 A 100 GLY H A 98 LYS HBx 1.0 0.0 5.50 166 166 A 100 GLY H A 98 LYS HBy 1.0 0.0 5.50 167 167 A 102 ALA HB% A 101 GLY H 1.0 0.0 5.50 168 168 A 74 SER HG A 75 LEU HA 1.0 0.0 4.95 169 169 A 74 SER HA A 73 ALA HB% 1.0 0.0 4.50 170 170 A 73 ALA HB% A 72 ASP HA 1.0 0.0 4.25 171 171 A 73 ALA HB% A 74 SER H 1.0 0.0 3.46 172 172 A 61 GLN HA A 61 GLN HGy 1.0 0.0 4.01 173 173 A 91 ALA HB% A 93 LYS H 1.0 0.0 4.83 174 174 A 79 GLN H A 84 ILE HD1% 1.0 0.0 3.76 175 175 A 84 ILE H A 84 ILE HD1% 1.0 0.0 4.49 176 176 A 75 LEU HG A 84 ILE HD1% 1.0 0.0 4.37 177 177 A 104 ARG HE A 104 ARG HBx 1.0 0.0 4.38 178 178 A 52 ALA H A 52 ALA HB1 1.0 0.0 4.06 179 179 A 80 ALA HB% A 77 LYS HA 1.0 0.0 3.10 180 180 A 88 GLN H A 89 ALA HB% 1.0 0.0 4.36 181 181 A 80 ALA HB% A 81 ASP HBy 1.0 0.0 5.50 182 182 A 80 ALA HB% A 81 ASP HBx 1.0 0.0 5.50 183 183 A 42 GLN H A 42 GLN HGx 1.0 0.0 4.41 184 184 A 64 LEU HA A 64 LEU HG 1.0 0.0 3.81 185 185 A 76 ARG HA A 76 ARG HGx 1.0 0.0 3.69 186 186 A 76 ARG HA A 76 ARG HGy 1.0 0.0 3.69 187 187 A 75 LEU H A 75 LEU HG 1.0 0.0 4.52 188 188 A 85 THR HG21 A 85 THR HG1 1.0 0.0 3.22 189 189 A 79 GLN HA A 79 GLN HGx 1.0 0.0 3.89 190 190 A 79 GLN H A 79 GLN HGx 1.0 0.0 4.86 191 191 A 43 LYS H A 43 LYS HGx 1.0 0.0 5.40 192 192 A 43 LYS H A 43 LYS HGy 1.0 0.0 5.40 193 193 A 90 LYS HA A 90 LYS HDy 1.0 0.0 3.59 194 194 A 90 LYS HA A 90 LYS HGx 1.0 0.0 4.11 195 195 A 69 LYS HA A 69 LYS HDy 1.0 0.0 3.74 196 196 A 69 LYS HA A 69 LYS HDx 1.0 0.0 3.74 197 197 A 79 GLN H A 84 ILE HG2% 1.0 0.0 4.98 198 198 A 85 THR HA A 84 ILE HG2% 1.0 0.0 5.50 199 199 A 75 LEU HA A 84 ILE HG2% 1.0 0.0 4.92 200 200 A 108 ASP H A 108 ASP HBx 1.0 0.0 3.78 201 201 A 89 ALA H A 89 ALA HB% 1.0 0.0 2.80 202 202 A 57 VAL HA A 57 VAL HG11 1.0 0.0 3.64 203 203 A 57 VAL HA A 57 VAL HG21 1.0 0.0 3.64 204 204 A 75 LEU HBx A 75 LEU HDx% 1.0 0.0 3.52 205 205 A 58 VAL H A 58 VAL HB 1.0 0.0 3.83 206 206 A 65 TYR H A 65 TYR HBx 1.0 0.0 4.14 207 207 A 104 ARG HE A 104 ARG HBy 1.0 0.0 4.38 208 208 A 79 GLN H A 79 GLN HGy 1.0 0.0 4.86 209 209 A 71 GLU H A 71 GLU HGx 1.0 0.0 5.50 210 210 A 71 GLU H A 71 GLU HGy 1.0 0.0 5.50 211 211 A 75 LEU HBy A 75 LEU HDx% 1.0 0.0 3.52 212 212 A 90 LYS HA A 90 LYS HGy 1.0 0.0 4.11 213 213 A 93 LYS H A 93 LYS HGx 1.0 0.0 4.86 214 214 A 61 GLN HA A 61 GLN HGx 1.0 0.0 4.01 215 215 A 94 GLU HA A 97 ASP HBx 1.0 0.0 4.05 216 216 A 94 GLU HA A 97 ASP HBy 1.0 0.0 4.05 217 217 A 105 LYS HA A 105 LYS HDx 1.0 0.0 5.50 218 218 A 105 LYS HA A 105 LYS HDy 1.0 0.0 5.50 219 219 A 98 LYS H A 98 LYS HDx 1.0 0.0 5.50 220 220 A 98 LYS H A 98 LYS HDy 1.0 0.0 5.50 221 221 A 76 ARG HA A 76 ARG HDy 1.0 0.0 5.50 222 222 A 76 ARG HA A 76 ARG HDx 1.0 0.0 5.50 223 223 A 90 LYS HA A 90 LYS HDx 1.0 0.0 3.59 224 224 A 92 TYR HDx A 92 TYR HA 1.0 0.0 4.24 225 225 A 79 GLN HA A 79 GLN HGy 1.0 0.0 3.89 226 226 A 57 VAL H A 57 VAL HG11 1.0 0.0 4.41 227 227 A 43 LYS H A 43 LYS HGx 1.0 0.0 4.60 228 227 A 43 LYS H A 43 LYS HGy 1.0 0.0 4.60 229 228 A 44 GLU H A 44 GLU HBy 1.0 0.0 3.46 230 228 A 44 GLU H A 44 GLU HBx 1.0 0.0 3.46 231 229 A 44 GLU H A 44 GLU HGy 1.0 0.0 4.56 232 229 A 44 GLU H A 44 GLU HGx 1.0 0.0 4.56 233 230 A 45 ALA H A 44 GLU HBy 1.0 0.0 4.37 234 230 A 45 ALA H A 44 GLU HBx 1.0 0.0 4.37 235 231 A 46 VAL H A 46 VAL HGx% 1.0 0.0 3.79 236 231 A 46 VAL H A 46 VAL HGy% 1.0 0.0 3.79 237 232 A 46 VAL HA A 46 VAL HGx% 1.0 0.0 3.07 238 232 A 46 VAL HGy% A 46 VAL HA 1.0 0.0 3.07 239 233 A 47 ASN H A 46 VAL HGx% 1.0 0.0 4.30 240 233 A 47 ASN H A 46 VAL HGy% 1.0 0.0 4.30 241 234 A 47 ASN H A 47 ASN HBx 1.0 0.0 3.12 242 234 A 47 ASN H A 47 ASN HBy 1.0 0.0 3.12 243 235 A 49 LYS H A 49 LYS HGx 1.0 0.0 5.34 244 235 A 49 LYS H A 49 LYS HGy 1.0 0.0 5.34 245 236 A 50 GLY H A 50 GLY HAx 1.0 0.0 2.57 246 236 A 50 GLY H A 50 GLY HAy 1.0 0.0 2.57 247 237 A 51 LYS H A 51 LYS HGx 1.0 0.0 5.34 248 237 A 51 LYS H A 51 LYS HGy 1.0 0.0 5.34 249 238 A 55 VAL H A 54 VAL HGx% 1.0 0.0 4.07 250 238 A 55 VAL H A 54 VAL HG21 1.0 0.0 4.07 251 239 A 55 VAL H A 55 VAL HG11 1.0 0.0 4.26 252 239 A 55 VAL H A 55 VAL HG21 1.0 0.0 4.26 253 240 A 56 LYS H A 56 LYS HBx 1.0 0.0 2.99 254 240 A 56 LYS H A 56 LYS HBy 1.0 0.0 2.99 255 241 A 57 VAL H A 57 VAL HG11 1.0 0.0 3.55 256 241 A 57 VAL H A 57 VAL HG21 1.0 0.0 3.55 257 242 A 58 VAL H A 58 VAL HGx% 1.0 0.0 3.76 258 242 A 58 VAL H A 58 VAL HGy% 1.0 0.0 3.76 259 243 A 59 GLU H A 58 VAL HGx% 1.0 0.0 3.98 260 243 A 59 GLU H A 58 VAL HGy% 1.0 0.0 3.98 261 244 A 59 GLU H A 59 GLU HBy 1.0 0.0 3.60 262 244 A 59 GLU H A 59 GLU HBx 1.0 0.0 3.60 263 245 A 59 GLU H A 59 GLU HGx 1.0 0.0 3.32 264 245 A 59 GLU H A 59 GLU HGy 1.0 0.0 3.32 265 246 A 60 SER H A 59 GLU HBy 1.0 0.0 4.07 266 246 A 60 SER H A 59 GLU HBx 1.0 0.0 4.07 267 247 A 60 SER H A 59 GLU HGx 1.0 0.0 4.56 268 247 A 60 SER H A 59 GLU HGy 1.0 0.0 4.56 269 248 A 60 SER H A 60 SER HBx 1.0 0.0 2.95 270 248 A 60 SER H A 60 SER HBy 1.0 0.0 2.95 271 249 A 61 GLN H A 61 GLN HBx 1.0 0.0 3.49 272 249 A 61 GLN H A 61 GLN HBy 1.0 0.0 3.49 273 250 A 61 GLN HA A 61 GLN HGx 1.0 0.0 3.52 274 250 A 61 GLN HA A 61 GLN HGy 1.0 0.0 3.52 275 251 A 63 GLU H A 63 GLU HBx 1.0 0.0 2.85 276 251 A 63 GLU H A 63 GLU HBy 1.0 0.0 2.85 277 252 A 64 LEU H A 64 LEU HDx% 1.0 0.0 3.49 278 252 A 64 LEU H A 64 LEU HDy% 1.0 0.0 3.49 279 253 A 64 LEU HA A 64 LEU HDx% 1.0 0.0 4.19 280 253 A 64 LEU HA A 64 LEU HDy% 1.0 0.0 4.19 281 254 A 65 TYR H A 65 TYR HBx 1.0 0.0 3.42 282 254 A 65 TYR H A 65 TYR HBy 1.0 0.0 3.42 283 255 A 66 SER H A 65 TYR HBx 1.0 0.0 3.29 284 255 A 66 SER H A 65 TYR HBy 1.0 0.0 3.29 285 256 A 66 SER H A 66 SER HBy 1.0 0.0 3.01 286 256 A 66 SER H A 66 SER HBx 1.0 0.0 3.01 287 257 A 66 SER H A 67 LEU HDx% 1.0 0.0 5.44 288 257 A 66 SER H A 67 LEU HD21 1.0 0.0 5.44 289 258 A 71 GLU H A 66 SER HBy 1.0 0.0 5.34 290 258 A 71 GLU H A 66 SER HBx 1.0 0.0 5.34 291 259 A 67 LEU H A 67 LEU HDx% 1.0 0.0 5.44 292 259 A 67 LEU H A 67 LEU HD21 1.0 0.0 5.44 293 260 A 68 GLU H A 67 LEU HBy 1.0 0.0 3.88 294 260 A 68 GLU H A 67 LEU HBx 1.0 0.0 3.88 295 261 A 68 GLU H A 67 LEU HDx% 1.0 0.0 4.37 296 261 A 68 GLU H A 67 LEU HD21 1.0 0.0 4.37 297 262 A 68 GLU H A 68 GLU HBx 1.0 0.0 3.49 298 262 A 68 GLU H A 68 GLU HBy 1.0 0.0 3.49 299 263 A 68 GLU H A 68 GLU HGx 1.0 0.0 5.34 300 263 A 68 GLU H A 68 GLU HGy 1.0 0.0 5.34 301 264 A 69 LYS H A 68 GLU HBx 1.0 0.0 3.73 302 264 A 69 LYS H A 68 GLU HBy 1.0 0.0 3.73 303 265 A 69 LYS H A 69 LYS HBx 1.0 0.0 2.86 304 265 A 69 LYS H A 69 LYS HBy 1.0 0.0 2.86 305 266 A 69 LYS H A 69 LYS HGx 1.0 0.0 4.46 306 266 A 69 LYS H A 69 LYS HGy 1.0 0.0 4.46 307 267 A 69 LYS H A 70 ASN HBy 1.0 0.0 5.34 308 267 A 69 LYS H A 70 ASN HBx 1.0 0.0 5.34 309 268 A 69 LYS HBy A 71 GLU HGy 1.0 1.8 3.60 310 268 A 69 LYS HBx A 71 GLU HGy 1.0 1.8 3.60 311 268 A 71 GLU HGx A 69 LYS HBx 1.0 1.8 3.60 312 268 A 69 LYS HBy A 71 GLU HGx 1.0 1.8 3.60 313 269 A 71 GLU H A 71 GLU HGy 1.0 0.0 4.68 314 269 A 71 GLU H A 71 GLU HGx 1.0 0.0 4.68 315 270 A 71 GLU H A 72 ASP HBy 1.0 0.0 5.34 316 270 A 71 GLU H A 72 ASP HBx 1.0 0.0 5.34 317 271 A 72 ASP H A 71 GLU HBx 1.0 0.0 4.16 318 271 A 72 ASP H A 71 GLU HBy 1.0 0.0 4.16 319 272 A 74 SER H A 77 LYS HBx 1.0 0.0 5.34 320 272 A 74 SER H A 77 LYS HBy 1.0 0.0 5.34 321 273 A 74 SER H A 77 LYS HGx 1.0 0.0 3.97 322 273 A 74 SER H A 77 LYS HGy 1.0 0.0 3.97 323 274 A 74 SER H A 77 LYS HDx 1.0 0.0 4.00 324 274 A 74 SER H A 77 LYS HDy 1.0 0.0 4.00 325 275 A 75 LEU H A 75 LEU HBx 1.0 0.0 3.37 326 275 A 75 LEU H A 75 LEU HBy 1.0 0.0 3.37 327 276 A 75 LEU H A 75 LEU HDx% 1.0 0.0 4.49 328 276 A 75 LEU H A 75 LEU HD21 1.0 0.0 4.49 329 277 A 75 LEU HA A 75 LEU HDx% 1.0 0.0 2.93 330 277 A 75 LEU HA A 75 LEU HD21 1.0 0.0 2.93 331 278 A 75 LEU HA A 78 LEU HBy 1.0 0.0 4.13 332 278 A 75 LEU HA A 78 LEU HBx 1.0 0.0 4.13 333 279 A 75 LEU HBx A 75 LEU HDx% 1.0 1.8 3.60 334 279 A 75 LEU HBy A 75 LEU HDx% 1.0 1.8 3.60 335 279 A 75 LEU HD21 A 75 LEU HBx 1.0 1.8 3.60 336 279 A 75 LEU HBy A 75 LEU HD21 1.0 1.8 3.60 337 280 A 75 LEU HBy A 75 LEU HD21 1.0 0.0 3.52 338 281 A 75 LEU HD21 A 75 LEU HBx 1.0 0.0 3.52 339 282 A 76 ARG HA A 75 LEU HBx 1.0 0.0 5.10 340 282 A 76 ARG HA A 75 LEU HBy 1.0 0.0 5.10 341 283 A 84 ILE HD1% A 75 LEU HBx 1.0 0.0 5.04 342 283 A 84 ILE HD1% A 75 LEU HBy 1.0 0.0 5.04 343 284 A 76 ARG H A 75 LEU HDx% 1.0 0.0 5.15 344 284 A 76 ARG H A 75 LEU HD21 1.0 0.0 5.15 345 285 A 76 ARG H A 76 ARG HBy 1.0 0.0 2.78 346 285 A 76 ARG H A 76 ARG HBx 1.0 0.0 2.78 347 286 A 76 ARG H A 76 ARG HGx 1.0 0.0 4.31 348 286 A 76 ARG H A 76 ARG HGy 1.0 0.0 4.31 349 287 A 76 ARG HA A 76 ARG HDx 1.0 0.0 4.80 350 287 A 76 ARG HA A 76 ARG HDy 1.0 0.0 4.80 351 288 A 77 LYS H A 76 ARG HBy 1.0 0.0 3.23 352 288 A 77 LYS H A 76 ARG HBx 1.0 0.0 3.23 353 289 A 76 ARG HE A 76 ARG HGx 1.0 0.0 3.50 354 289 A 76 ARG HGy A 76 ARG HE 1.0 0.0 3.50 355 290 A 77 LYS H A 77 LYS HBx 1.0 0.0 3.02 356 290 A 77 LYS H A 77 LYS HBy 1.0 0.0 3.02 357 291 A 77 LYS H A 77 LYS HGx 1.0 0.0 2.85 358 291 A 77 LYS H A 77 LYS HGy 1.0 0.0 2.85 359 292 A 78 LEU H A 78 LEU HBy 1.0 0.0 2.94 360 292 A 78 LEU H A 78 LEU HBx 1.0 0.0 2.94 361 293 A 78 LEU HA A 78 LEU HDx% 1.0 0.0 3.63 362 293 A 78 LEU HA A 78 LEU HDy% 1.0 0.0 3.63 363 294 A 78 LEU HA A 81 ASP HBx 1.0 0.0 4.58 364 294 A 78 LEU HA A 81 ASP HBy 1.0 0.0 4.58 365 295 A 78 LEU HA A 83 ARG HBy 1.0 0.0 5.08 366 295 A 78 LEU HA A 83 ARG HBx 1.0 0.0 5.08 367 296 A 78 LEU HA A 83 ARG HGx 1.0 0.0 5.25 368 296 A 78 LEU HA A 83 ARG HGy 1.0 0.0 5.25 369 297 A 78 LEU HA A 83 ARG HDx 1.0 0.0 5.34 370 297 A 78 LEU HA A 83 ARG HDy 1.0 0.0 5.34 371 298 A 84 ILE HG2% A 78 LEU HBy 1.0 0.0 3.99 372 298 A 84 ILE HG2% A 78 LEU HBx 1.0 0.0 3.99 373 299 A 84 ILE HD1% A 78 LEU HBy 1.0 0.0 4.11 374 299 A 84 ILE HD1% A 78 LEU HBx 1.0 0.0 4.11 375 300 A 83 ARG H A 78 LEU HDx% 1.0 0.0 4.83 376 300 A 83 ARG H A 78 LEU HDy% 1.0 0.0 4.83 377 301 A 78 LEU HDx% A 83 ARG HBy 1.0 0.0 2.75 378 301 A 78 LEU HDy% A 83 ARG HBy 1.0 0.0 2.75 379 301 A 83 ARG HBx A 78 LEU HDx% 1.0 0.0 2.75 380 301 A 78 LEU HDy% A 83 ARG HBx 1.0 0.0 2.75 381 302 A 79 GLN H A 79 GLN HBy 1.0 0.0 2.98 382 302 A 79 GLN H A 79 GLN HBx 1.0 0.0 2.98 383 303 A 79 GLN H A 79 GLN HGx 1.0 0.0 4.11 384 303 A 79 GLN H A 79 GLN HGy 1.0 0.0 4.11 385 304 A 79 GLN H A 81 ASP HBx 1.0 0.0 5.34 386 304 A 79 GLN H A 81 ASP HBy 1.0 0.0 5.34 387 305 A 79 GLN H A 84 ILE HG1x 1.0 0.0 4.05 388 305 A 79 GLN H A 84 ILE HG1y 1.0 0.0 4.05 389 306 A 80 ALA H A 79 GLN HBy 1.0 0.0 3.30 390 306 A 80 ALA H A 79 GLN HBx 1.0 0.0 3.30 391 307 A 80 ALA HB% A 79 GLN HBy 1.0 0.0 4.58 392 307 A 80 ALA HB% A 79 GLN HBx 1.0 0.0 4.58 393 308 A 80 ALA H A 79 GLN HGx 1.0 0.0 5.34 394 308 A 80 ALA H A 79 GLN HGy 1.0 0.0 5.34 395 309 A 84 ILE H A 79 GLN HGx 1.0 0.0 5.34 396 309 A 84 ILE H A 79 GLN HGy 1.0 0.0 5.34 397 310 A 84 ILE HD1% A 79 GLN HGx 1.0 0.0 3.53 398 310 A 84 ILE HD1% A 79 GLN HGy 1.0 0.0 3.53 399 311 A 89 ALA HB% A 79 GLN HGx 1.0 0.0 5.07 400 311 A 89 ALA HB% A 79 GLN HGy 1.0 0.0 5.07 401 312 A 80 ALA HB% A 81 ASP HBx 1.0 0.0 4.78 402 312 A 80 ALA HB% A 81 ASP HBy 1.0 0.0 4.78 403 313 A 81 ASP H A 81 ASP HBx 1.0 0.0 2.88 404 313 A 81 ASP H A 81 ASP HBy 1.0 0.0 2.88 405 314 A 81 ASP H A 83 ARG HBy 1.0 0.0 5.34 406 314 A 81 ASP H A 83 ARG HBx 1.0 0.0 5.34 407 315 A 81 ASP H A 84 ILE HG1x 1.0 0.0 5.34 408 315 A 81 ASP H A 84 ILE HG1y 1.0 0.0 5.34 409 316 A 82 GLY H A 81 ASP HBx 1.0 0.0 3.73 410 316 A 82 GLY H A 81 ASP HBy 1.0 0.0 3.73 411 317 A 83 ARG H A 81 ASP HBx 1.0 0.0 3.61 412 317 A 83 ARG H A 81 ASP HBy 1.0 0.0 3.61 413 318 A 82 GLY H A 83 ARG HBy 1.0 0.0 5.33 414 318 A 82 GLY H A 83 ARG HBx 1.0 0.0 5.33 415 319 A 83 ARG H A 83 ARG HBy 1.0 0.0 3.37 416 319 A 83 ARG H A 83 ARG HBx 1.0 0.0 3.37 417 320 A 83 ARG H A 83 ARG HGx 1.0 0.0 3.39 418 320 A 83 ARG H A 83 ARG HGy 1.0 0.0 3.39 419 321 A 83 ARG H A 83 ARG HDx 1.0 0.0 5.34 420 321 A 83 ARG H A 83 ARG HDy 1.0 0.0 5.34 421 322 A 83 ARG H A 84 ILE HG1x 1.0 0.0 4.24 422 322 A 83 ARG H A 84 ILE HG1y 1.0 0.0 4.24 423 323 A 83 ARG HA A 83 ARG HGx 1.0 0.0 3.59 424 323 A 83 ARG HGy A 83 ARG HA 1.0 0.0 3.59 425 324 A 84 ILE H A 84 ILE HG1x 1.0 0.0 3.40 426 324 A 84 ILE H A 84 ILE HG1y 1.0 0.0 3.40 427 325 A 86 GLU H A 86 GLU HBx 1.0 0.0 3.58 428 325 A 86 GLU H A 86 GLU HBy 1.0 0.0 3.58 429 326 A 87 GLU H A 87 GLU HBy 1.0 0.0 2.62 430 326 A 87 GLU H A 87 GLU HBx 1.0 0.0 2.62 431 327 A 87 GLU HA A 87 GLU HGx 1.0 0.0 3.58 432 327 A 87 GLU HA A 87 GLU HGy 1.0 0.0 3.58 433 328 A 88 GLN H A 88 GLN HBx 1.0 0.0 2.95 434 328 A 88 GLN H A 88 GLN HBy 1.0 0.0 2.95 435 329 A 88 GLN H A 88 GLN HGy 1.0 0.0 4.50 436 329 A 88 GLN H A 88 GLN HGx 1.0 0.0 4.50 437 330 A 88 GLN HA A 88 GLN HGy 1.0 0.0 3.49 438 330 A 88 GLN HA A 88 GLN HGx 1.0 0.0 3.49 439 331 A 89 ALA H A 88 GLN HBx 1.0 0.0 3.37 440 331 A 89 ALA H A 88 GLN HBy 1.0 0.0 3.37 441 332 A 90 LYS H A 88 GLN HGy 1.0 0.0 5.34 442 332 A 90 LYS H A 88 GLN HGx 1.0 0.0 5.34 443 333 A 91 ALA H A 88 GLN HGy 1.0 0.0 5.34 444 333 A 91 ALA H A 88 GLN HGx 1.0 0.0 5.34 445 334 A 89 ALA HA A 92 TYR HBx 1.0 0.0 3.98 446 334 A 89 ALA HA A 92 TYR HBy 1.0 0.0 3.98 447 335 A 90 LYS H A 90 LYS HGx 1.0 0.0 3.62 448 335 A 90 LYS H A 90 LYS HGy 1.0 0.0 3.62 449 336 A 90 LYS H A 90 LYS HDx 1.0 0.0 3.47 450 336 A 90 LYS H A 90 LYS HDy 1.0 0.0 3.47 451 337 A 90 LYS HA A 90 LYS HGx 1.0 0.0 3.43 452 337 A 90 LYS HA A 90 LYS HGy 1.0 0.0 3.43 453 338 A 90 LYS HA A 90 LYS HDx 1.0 0.0 2.91 454 338 A 90 LYS HA A 90 LYS HDy 1.0 0.0 2.91 455 339 A 91 ALA H A 90 LYS HGx 1.0 0.0 5.20 456 339 A 91 ALA H A 90 LYS HGy 1.0 0.0 5.20 457 340 A 92 TYR H A 92 TYR HBx 1.0 0.0 3.12 458 340 A 92 TYR H A 92 TYR HBy 1.0 0.0 3.12 459 341 A 92 TYR H A 93 LYS HBx 1.0 0.0 5.24 460 341 A 92 TYR H A 93 LYS HBy 1.0 0.0 5.24 461 342 A 93 LYS H A 92 TYR HBx 1.0 0.0 3.41 462 342 A 93 LYS H A 92 TYR HBy 1.0 0.0 3.41 463 343 A 93 LYS H A 93 LYS HBx 1.0 0.0 2.89 464 343 A 93 LYS H A 93 LYS HBy 1.0 0.0 2.89 465 344 A 93 LYS H A 93 LYS HGx 1.0 0.0 4.17 466 344 A 93 LYS H A 93 LYS HGy 1.0 0.0 4.17 467 345 A 93 LYS HA A 93 LYS HGx 1.0 0.0 3.65 468 345 A 93 LYS HA A 93 LYS HGy 1.0 0.0 3.65 469 346 A 93 LYS HA A 96 ASN HBy 1.0 0.0 4.85 470 346 A 93 LYS HA A 96 ASN HBx 1.0 0.0 4.85 471 347 A 94 GLU H A 93 LYS HGx 1.0 0.0 4.82 472 347 A 94 GLU H A 93 LYS HGy 1.0 0.0 4.82 473 348 A 96 ASN H A 93 LYS HGx 1.0 0.0 5.34 474 348 A 96 ASN H A 93 LYS HGy 1.0 0.0 5.34 475 349 A 94 GLU H A 93 LYS HDx 1.0 0.0 5.34 476 349 A 94 GLU H A 93 LYS HDy 1.0 0.0 5.34 477 350 A 94 GLU H A 94 GLU HBy 1.0 0.0 2.96 478 350 A 94 GLU H A 94 GLU HBx 1.0 0.0 2.96 479 351 A 94 GLU H A 94 GLU HGy 1.0 0.0 4.49 480 351 A 94 GLU H A 94 GLU HGx 1.0 0.0 4.49 481 352 A 94 GLU H A 95 TYR HBx 1.0 0.0 5.20 482 352 A 94 GLU H A 95 TYR HBy 1.0 0.0 5.20 483 353 A 94 GLU H A 97 ASP HBx 1.0 0.0 5.34 484 353 A 94 GLU H A 97 ASP HBy 1.0 0.0 5.34 485 354 A 94 GLU HA A 94 GLU HGy 1.0 0.0 3.02 486 354 A 94 GLU HA A 94 GLU HGx 1.0 0.0 3.02 487 355 A 94 GLU HA A 97 ASP HBx 1.0 0.0 3.54 488 355 A 94 GLU HA A 97 ASP HBy 1.0 0.0 3.54 489 356 A 95 TYR H A 94 GLU HBy 1.0 0.0 3.40 490 356 A 95 TYR H A 94 GLU HBx 1.0 0.0 3.40 491 357 A 97 ASP H A 94 GLU HBy 1.0 0.0 5.34 492 357 A 97 ASP H A 94 GLU HBx 1.0 0.0 5.34 493 358 A 95 TYR H A 94 GLU HGy 1.0 0.0 5.34 494 358 A 95 TYR H A 94 GLU HGx 1.0 0.0 5.34 495 359 A 97 ASP H A 94 GLU HGy 1.0 0.0 5.34 496 359 A 97 ASP H A 94 GLU HGx 1.0 0.0 5.34 497 360 A 95 TYR H A 95 TYR HBx 1.0 0.0 2.82 498 360 A 95 TYR H A 95 TYR HBy 1.0 0.0 2.82 499 361 A 95 TYR H A 96 ASN HBy 1.0 0.0 5.06 500 361 A 95 TYR H A 96 ASN HBx 1.0 0.0 5.06 501 362 A 96 ASN H A 95 TYR HBx 1.0 0.0 3.44 502 362 A 96 ASN H A 95 TYR HBy 1.0 0.0 3.44 503 363 A 97 ASP H A 95 TYR HBx 1.0 0.0 5.34 504 363 A 97 ASP H A 95 TYR HBy 1.0 0.0 5.34 505 364 A 96 ASN H A 96 ASN HBy 1.0 0.0 3.04 506 364 A 96 ASN H A 96 ASN HBx 1.0 0.0 3.04 507 365 A 97 ASP H A 96 ASN HBy 1.0 0.0 3.39 508 365 A 97 ASP H A 96 ASN HBx 1.0 0.0 3.39 509 366 A 97 ASP H A 97 ASP HBx 1.0 0.0 3.01 510 366 A 97 ASP H A 97 ASP HBy 1.0 0.0 3.01 511 367 A 97 ASP H A 98 LYS HBx 1.0 0.0 5.03 512 367 A 97 ASP H A 98 LYS HBy 1.0 0.0 5.03 513 368 A 98 LYS H A 98 LYS HBx 1.0 0.0 2.96 514 368 A 98 LYS H A 98 LYS HBy 1.0 0.0 2.96 515 369 A 98 LYS H A 98 LYS HGx 1.0 0.0 4.37 516 369 A 98 LYS H A 98 LYS HGy 1.0 0.0 4.37 517 370 A 98 LYS HA A 98 LYS HGx 1.0 0.0 3.47 518 370 A 98 LYS HGy A 98 LYS HA 1.0 0.0 3.47 519 371 A 99 ASN H A 98 LYS HBx 1.0 0.0 3.95 520 371 A 99 ASN H A 98 LYS HBy 1.0 0.0 3.95 521 372 A 99 ASN H A 99 ASN HBy 1.0 0.0 3.46 522 372 A 99 ASN H A 99 ASN HBx 1.0 0.0 3.46 523 373 A 99 ASN H A 100 GLY HAy 1.0 0.0 5.34 524 373 A 99 ASN H A 100 GLY HAx 1.0 0.0 5.34 525 374 A 100 GLY H A 99 ASN HBy 1.0 0.0 4.43 526 374 A 100 GLY H A 99 ASN HBx 1.0 0.0 4.43 527 375 A 104 ARG H A 103 ASN HBx 1.0 0.0 4.28 528 375 A 104 ARG H A 103 ASN HBy 1.0 0.0 4.28 529 376 A 104 ARG H A 104 ARG HBy 1.0 0.0 3.34 530 376 A 104 ARG H A 104 ARG HBx 1.0 0.0 3.34 531 377 A 104 ARG H A 104 ARG HGy 1.0 0.0 4.44 532 377 A 104 ARG H A 104 ARG HGx 1.0 0.0 4.44 533 378 A 104 ARG HA A 104 ARG HGy 1.0 0.0 3.69 534 378 A 104 ARG HA A 104 ARG HGx 1.0 0.0 3.69 535 379 A 104 ARG HE A 104 ARG HBy 1.0 0.0 3.74 536 379 A 104 ARG HE A 104 ARG HBx 1.0 0.0 3.74 537 380 A 105 LYS H A 105 LYS HGx 1.0 0.0 3.24 538 380 A 105 LYS H A 105 LYS HGy 1.0 0.0 3.24 539 381 A 105 LYS H A 106 VAL HGx% 1.0 0.0 4.99 540 381 A 105 LYS H A 106 VAL HGy% 1.0 0.0 4.99 541 382 A 106 VAL H A 106 VAL HGx% 1.0 0.0 3.46 542 382 A 106 VAL H A 106 VAL HGy% 1.0 0.0 3.46 543 383 A 107 ASN H A 106 VAL HGx% 1.0 0.0 4.04 544 383 A 107 ASN H A 106 VAL HGy% 1.0 0.0 4.04 545 384 A 107 ASN H A 107 ASN HBx 1.0 0.0 3.08 546 384 A 107 ASN H A 107 ASN HBy 1.0 0.0 3.08 547 385 A 108 ASP H A 107 ASN HBx 1.0 0.0 3.60 548 385 A 108 ASP H A 107 ASN HBy 1.0 0.0 3.60 549 386 A 108 ASP H A 108 ASP HBx 1.0 0.0 2.91 550 386 A 108 ASP H A 108 ASP HBy 1.0 0.0 2.91 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type . 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 44 GLU C A 45 ALA N A 45 ALA CA A 45 ALA C 1.0 -110.0 -40.0 PHI 2 2 A 45 ALA N A 45 ALA CA A 45 ALA C A 46 VAL N 1.0 -60.0 30.0 PSI 3 3 A 46 VAL C A 47 ASN N A 47 ASN CA A 47 ASN C 1.0 -100.0 -40.0 PHI 4 4 A 47 ASN N A 47 ASN CA A 47 ASN C A 48 ASP N 1.0 110.0 180.0 PSI 5 5 A 48 ASP C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -120.0 -40.0 PHI 6 6 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 GLY N 1.0 -50.0 20.0 PSI 7 7 A 49 LYS C A 50 GLY N A 50 GLY CA A 50 GLY C 1.0 40.0 100.0 PHI 8 8 A 50 GLY N A 50 GLY CA A 50 GLY C A 51 LYS N 1.0 0.0 60.0 PSI 9 9 A 50 GLY C A 51 LYS N A 51 LYS CA A 51 LYS C 1.0 -110.0 -40.0 PHI 10 10 A 51 LYS N A 51 LYS CA A 51 LYS C A 52 ALA N 1.0 -50.0 30.0 PSI 11 11 A 51 LYS C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -90.0 -30.0 PHI 12 12 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 ALA N 1.0 -60.0 10.0 PSI 13 13 A 52 ALA C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -110.0 -40.0 PHI 14 14 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 VAL N 1.0 100.0 180.0 PSI 15 15 A 53 ALA C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -110.0 -40.0 PHI 16 16 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 VAL N 1.0 120.0 180.0 PSI 17 17 A 54 VAL C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -80.0 -30.0 PHI 18 18 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 LYS N 1.0 -70.0 -10.0 PSI 19 19 A 55 VAL C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -90.0 -40.0 PHI 20 20 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 VAL N 1.0 -70.0 -10.0 PSI 21 21 A 56 LYS C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -90.0 -40.0 PHI 22 22 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 VAL N 1.0 -70.0 -20.0 PSI 23 23 A 57 VAL C A 58 VAL N A 58 VAL CA A 58 VAL C 1.0 -90.0 -40.0 PHI 24 24 A 58 VAL N A 58 VAL CA A 58 VAL C A 59 GLU N 1.0 -70.0 -20.0 PSI 25 25 A 58 VAL C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 -90.0 -40.0 PHI 26 26 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 SER N 1.0 -70.0 -20.0 PSI 27 27 A 59 GLU C A 60 SER N A 60 SER CA A 60 SER C 1.0 -90.0 -40.0 PHI 28 28 A 60 SER N A 60 SER CA A 60 SER C A 61 GLN N 1.0 -70.0 -20.0 PSI 29 29 A 60 SER C A 61 GLN N A 61 GLN CA A 61 GLN C 1.0 -90.0 -40.0 PHI 30 30 A 61 GLN N A 61 GLN CA A 61 GLN C A 62 ALA N 1.0 -70.0 -20.0 PSI 31 31 A 61 GLN C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -90.0 -40.0 PHI 32 32 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 GLU N 1.0 -60.0 -10.0 PSI 33 33 A 62 ALA C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -90.0 -40.0 PHI 34 34 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 LEU N 1.0 -70.0 -10.0 PSI 35 35 A 63 GLU C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -90.0 -40.0 PHI 36 36 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 TYR N 1.0 -60.0 -10.0 PSI 37 37 A 64 LEU C A 65 TYR N A 65 TYR CA A 65 TYR C 1.0 -90.0 -40.0 PHI 38 38 A 65 TYR N A 65 TYR CA A 65 TYR C A 66 SER N 1.0 -70.0 -20.0 PSI 39 39 A 65 TYR C A 66 SER N A 66 SER CA A 66 SER C 1.0 -90.0 -40.0 PHI 40 40 A 66 SER N A 66 SER CA A 66 SER C A 67 LEU N 1.0 -70.0 -10.0 PSI 41 41 A 66 SER C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -90.0 -40.0 PHI 42 42 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 GLU N 1.0 -70.0 -20.0 PSI 43 43 A 67 LEU C A 68 GLU N A 68 GLU CA A 68 GLU C 1.0 -90.0 -40.0 PHI 44 44 A 68 GLU N A 68 GLU CA A 68 GLU C A 69 LYS N 1.0 -60.0 10.0 PSI 45 45 A 68 GLU C A 69 LYS N A 69 LYS CA A 69 LYS C 1.0 -120.0 -70.0 PHI 46 46 A 69 LYS N A 69 LYS CA A 69 LYS C A 70 ASN N 1.0 -40.0 30.0 PSI 47 47 A 69 LYS C A 70 ASN N A 70 ASN CA A 70 ASN C 1.0 40.0 80.0 PHI 48 48 A 70 ASN N A 70 ASN CA A 70 ASN C A 71 GLU N 1.0 10.0 60.0 PSI 49 49 A 71 GLU C A 72 ASP N A 72 ASP CA A 72 ASP C 1.0 -160.0 -50.0 PHI 50 50 A 72 ASP N A 72 ASP CA A 72 ASP C A 73 ALA N 1.0 90.0 180.0 PSI 51 51 A 72 ASP C A 73 ALA N A 73 ALA CA A 73 ALA C 1.0 -160.0 -50.0 PHI 52 52 A 73 ALA N A 73 ALA CA A 73 ALA C A 74 SER N 1.0 100.0 180.0 PSI 53 53 A 73 ALA C A 74 SER N A 74 SER CA A 74 SER C 1.0 -110.0 -60.0 PHI 54 54 A 74 SER N A 74 SER CA A 74 SER C A 75 LEU N 1.0 150.0 190.0 PSI 55 55 A 74 SER C A 75 LEU N A 75 LEU CA A 75 LEU C 1.0 -90.0 -40.0 PHI 56 56 A 75 LEU N A 75 LEU CA A 75 LEU C A 76 ARG N 1.0 -60.0 -10.0 PSI 57 57 A 75 LEU C A 76 ARG N A 76 ARG CA A 76 ARG C 1.0 -90.0 -40.0 PHI 58 58 A 76 ARG N A 76 ARG CA A 76 ARG C A 77 LYS N 1.0 -60.0 -20.0 PSI 59 59 A 76 ARG C A 77 LYS N A 77 LYS CA A 77 LYS C 1.0 -90.0 -40.0 PHI 60 60 A 77 LYS N A 77 LYS CA A 77 LYS C A 78 LEU N 1.0 -70.0 -20.0 PSI 61 61 A 77 LYS C A 78 LEU N A 78 LEU CA A 78 LEU C 1.0 -90.0 -40.0 PHI 62 62 A 78 LEU N A 78 LEU CA A 78 LEU C A 79 GLN N 1.0 -70.0 -10.0 PSI 63 63 A 78 LEU C A 79 GLN N A 79 GLN CA A 79 GLN C 1.0 -90.0 -40.0 PHI 64 64 A 79 GLN N A 79 GLN CA A 79 GLN C A 80 ALA N 1.0 -60.0 -20.0 PSI 65 65 A 79 GLN C A 80 ALA N A 80 ALA CA A 80 ALA C 1.0 -90.0 -40.0 PHI 66 66 A 80 ALA N A 80 ALA CA A 80 ALA C A 81 ASP N 1.0 -60.0 0.0 PSI 67 67 A 80 ALA C A 81 ASP N A 81 ASP CA A 81 ASP C 1.0 -120.0 -60.0 PHI 68 68 A 81 ASP N A 81 ASP CA A 81 ASP C A 82 GLY N 1.0 -30.0 30.0 PSI 69 69 A 81 ASP C A 82 GLY N A 82 GLY CA A 82 GLY C 1.0 50.0 110.0 PHI 70 70 A 82 GLY N A 82 GLY CA A 82 GLY C A 83 ARG N 1.0 -30.0 40.0 PSI 71 71 A 83 ARG C A 84 ILE N A 84 ILE CA A 84 ILE C 1.0 -170.0 -50.0 PHI 72 72 A 84 ILE N A 84 ILE CA A 84 ILE C A 85 THR N 1.0 110.0 180.0 PSI 73 73 A 84 ILE C A 85 THR N A 85 THR CA A 85 THR C 1.0 -110.0 -50.0 PHI 74 74 A 85 THR N A 85 THR CA A 85 THR C A 86 GLU N 1.0 130.0 180.0 PSI 75 75 A 85 THR C A 86 GLU N A 86 GLU CA A 86 GLU C 1.0 -90.0 -40.0 PHI 76 76 A 86 GLU N A 86 GLU CA A 86 GLU C A 87 GLU N 1.0 -70.0 -10.0 PSI 77 77 A 86 GLU C A 87 GLU N A 87 GLU CA A 87 GLU C 1.0 -90.0 -40.0 PHI 78 78 A 87 GLU N A 87 GLU CA A 87 GLU C A 88 GLN N 1.0 -70.0 -20.0 PSI 79 79 A 87 GLU C A 88 GLN N A 88 GLN CA A 88 GLN C 1.0 -90.0 -40.0 PHI 80 80 A 88 GLN N A 88 GLN CA A 88 GLN C A 89 ALA N 1.0 -70.0 -20.0 PSI 81 81 A 88 GLN C A 89 ALA N A 89 ALA CA A 89 ALA C 1.0 -80.0 -40.0 PHI 82 82 A 89 ALA N A 89 ALA CA A 89 ALA C A 90 LYS N 1.0 -70.0 -20.0 PSI 83 83 A 89 ALA C A 90 LYS N A 90 LYS CA A 90 LYS C 1.0 -80.0 -40.0 PHI 84 84 A 90 LYS N A 90 LYS CA A 90 LYS C A 91 ALA N 1.0 -70.0 -20.0 PSI 85 85 A 90 LYS C A 91 ALA N A 91 ALA CA A 91 ALA C 1.0 -90.0 -40.0 PHI 86 86 A 91 ALA N A 91 ALA CA A 91 ALA C A 92 TYR N 1.0 -60.0 -20.0 PSI 87 87 A 91 ALA C A 92 TYR N A 92 TYR CA A 92 TYR C 1.0 -80.0 -40.0 PHI 88 88 A 92 TYR N A 92 TYR CA A 92 TYR C A 93 LYS N 1.0 -70.0 -20.0 PSI 89 89 A 92 TYR C A 93 LYS N A 93 LYS CA A 93 LYS C 1.0 -90.0 -40.0 PHI 90 90 A 93 LYS N A 93 LYS CA A 93 LYS C A 94 GLU N 1.0 -60.0 -10.0 PSI 91 91 A 93 LYS C A 94 GLU N A 94 GLU CA A 94 GLU C 1.0 -90.0 -40.0 PHI 92 92 A 94 GLU N A 94 GLU CA A 94 GLU C A 95 TYR N 1.0 -70.0 -20.0 PSI 93 93 A 94 GLU C A 95 TYR N A 95 TYR CA A 95 TYR C 1.0 -90.0 -40.0 PHI 94 94 A 95 TYR N A 95 TYR CA A 95 TYR C A 96 ASN N 1.0 -70.0 -20.0 PSI 95 95 A 95 TYR C A 96 ASN N A 96 ASN CA A 96 ASN C 1.0 -80.0 -40.0 PHI 96 96 A 96 ASN N A 96 ASN CA A 96 ASN C A 97 ASP N 1.0 -70.0 -10.0 PSI 97 97 A 96 ASN C A 97 ASP N A 97 ASP CA A 97 ASP C 1.0 -90.0 -40.0 PHI 98 98 A 97 ASP N A 97 ASP CA A 97 ASP C A 98 LYS N 1.0 -70.0 -20.0 PSI 99 99 A 97 ASP C A 98 LYS N A 98 LYS CA A 98 LYS C 1.0 -90.0 -40.0 PHI 100 100 A 98 LYS N A 98 LYS CA A 98 LYS C A 99 ASN N 1.0 -60.0 0.0 PSI 101 101 A 98 LYS C A 99 ASN N A 99 ASN CA A 99 ASN C 1.0 -120.0 -60.0 PHI 102 102 A 99 ASN N A 99 ASN CA A 99 ASN C A 100 GLY N 1.0 -30.0 20.0 PSI 103 103 A 100 GLY C A 101 GLY N A 101 GLY CA A 101 GLY C 1.0 -110.0 -50.0 PHI 104 104 A 101 GLY N A 101 GLY CA A 101 GLY C A 102 ALA N 1.0 -40.0 20.0 PSI 105 105 A 101 GLY C A 102 ALA N A 102 ALA CA A 102 ALA C 1.0 -110.0 -40.0 PHI 106 106 A 102 ALA N A 102 ALA CA A 102 ALA C A 103 ASN N 1.0 -70.0 10.0 PSI stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _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 44 GLU C A 45 ALA N A 45 ALA CA A 45 ALA C 1.0 -110.0 -40.0 PHI 2 2 A 45 ALA N A 45 ALA CA A 45 ALA C A 46 VAL N 1.0 -60.0 30.0 PSI 3 3 A 46 VAL C A 47 ASN N A 47 ASN CA A 47 ASN C 1.0 -100.0 -40.0 PHI 4 4 A 47 ASN N A 47 ASN CA A 47 ASN C A 48 ASP N 1.0 110.0 180.0 PSI 5 5 A 48 ASP C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -120.0 -40.0 PHI 6 6 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 GLY N 1.0 -50.0 20.0 PSI 7 7 A 49 LYS C A 50 GLY N A 50 GLY CA A 50 GLY C 1.0 40.0 100.0 PHI 8 8 A 50 GLY N A 50 GLY CA A 50 GLY C A 51 LYS N 1.0 0.0 60.0 PSI 9 9 A 50 GLY C A 51 LYS N A 51 LYS CA A 51 LYS C 1.0 -110.0 -40.0 PHI 10 10 A 51 LYS N A 51 LYS CA A 51 LYS C A 52 ALA N 1.0 -50.0 30.0 PSI 11 11 A 51 LYS C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -90.0 -30.0 PHI 12 12 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 ALA N 1.0 -60.0 10.0 PSI 13 13 A 52 ALA C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -110.0 -40.0 PHI 14 14 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 VAL N 1.0 100.0 180.0 PSI 15 15 A 53 ALA C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -110.0 -40.0 PHI 16 16 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 VAL N 1.0 120.0 180.0 PSI 17 17 A 54 VAL C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -80.0 -30.0 PHI 18 18 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 LYS N 1.0 -70.0 -10.0 PSI 19 19 A 55 VAL C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -90.0 -40.0 PHI 20 20 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 VAL N 1.0 -70.0 -10.0 PSI 21 21 A 56 LYS C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -90.0 -40.0 PHI 22 22 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 VAL N 1.0 -70.0 -20.0 PSI 23 23 A 57 VAL C A 58 VAL N A 58 VAL CA A 58 VAL C 1.0 -90.0 -40.0 PHI 24 24 A 58 VAL N A 58 VAL CA A 58 VAL C A 59 GLU N 1.0 -70.0 -20.0 PSI 25 25 A 58 VAL C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 -90.0 -40.0 PHI 26 26 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 SER N 1.0 -70.0 -20.0 PSI 27 27 A 59 GLU C A 60 SER N A 60 SER CA A 60 SER C 1.0 -90.0 -40.0 PHI 28 28 A 60 SER N A 60 SER CA A 60 SER C A 61 GLN N 1.0 -70.0 -20.0 PSI 29 29 A 60 SER C A 61 GLN N A 61 GLN CA A 61 GLN C 1.0 -90.0 -40.0 PHI 30 30 A 61 GLN N A 61 GLN CA A 61 GLN C A 62 ALA N 1.0 -70.0 -20.0 PSI 31 31 A 61 GLN C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -90.0 -40.0 PHI 32 32 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 GLU N 1.0 -60.0 -10.0 PSI 33 33 A 62 ALA C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -90.0 -40.0 PHI 34 34 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 LEU N 1.0 -70.0 -10.0 PSI 35 35 A 63 GLU C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -90.0 -40.0 PHI 36 36 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 TYR N 1.0 -60.0 -10.0 PSI 37 37 A 64 LEU C A 65 TYR N A 65 TYR CA A 65 TYR C 1.0 -90.0 -40.0 PHI 38 38 A 65 TYR N A 65 TYR CA A 65 TYR C A 66 SER N 1.0 -70.0 -20.0 PSI 39 39 A 65 TYR C A 66 SER N A 66 SER CA A 66 SER C 1.0 -90.0 -40.0 PHI 40 40 A 66 SER N A 66 SER CA A 66 SER C A 67 LEU N 1.0 -70.0 -10.0 PSI 41 41 A 66 SER C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -90.0 -40.0 PHI 42 42 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 GLU N 1.0 -70.0 -20.0 PSI 43 43 A 67 LEU C A 68 GLU N A 68 GLU CA A 68 GLU C 1.0 -90.0 -40.0 PHI 44 44 A 68 GLU N A 68 GLU CA A 68 GLU C A 69 LYS N 1.0 -60.0 10.0 PSI 45 45 A 68 GLU C A 69 LYS N A 69 LYS CA A 69 LYS C 1.0 -120.0 -70.0 PHI 46 46 A 69 LYS N A 69 LYS CA A 69 LYS C A 70 ASN N 1.0 -40.0 30.0 PSI 47 47 A 69 LYS C A 70 ASN N A 70 ASN CA A 70 ASN C 1.0 40.0 80.0 PHI 48 48 A 70 ASN N A 70 ASN CA A 70 ASN C A 71 GLU N 1.0 10.0 60.0 PSI 49 49 A 71 GLU C A 72 ASP N A 72 ASP CA A 72 ASP C 1.0 -160.0 -50.0 PHI 50 50 A 72 ASP N A 72 ASP CA A 72 ASP C A 73 ALA N 1.0 90.0 180.0 PSI 51 51 A 72 ASP C A 73 ALA N A 73 ALA CA A 73 ALA C 1.0 -160.0 -50.0 PHI 52 52 A 73 ALA N A 73 ALA CA A 73 ALA C A 74 SER N 1.0 100.0 180.0 PSI 53 53 A 73 ALA C A 74 SER N A 74 SER CA A 74 SER C 1.0 -110.0 -60.0 PHI 54 54 A 74 SER N A 74 SER CA A 74 SER C A 75 LEU N 1.0 150.0 190.0 PSI 55 55 A 74 SER C A 75 LEU N A 75 LEU CA A 75 LEU C 1.0 -90.0 -40.0 PHI 56 56 A 75 LEU N A 75 LEU CA A 75 LEU C A 76 ARG N 1.0 -60.0 -10.0 PSI 57 57 A 75 LEU C A 76 ARG N A 76 ARG CA A 76 ARG C 1.0 -90.0 -40.0 PHI 58 58 A 76 ARG N A 76 ARG CA A 76 ARG C A 77 LYS N 1.0 -60.0 -20.0 PSI 59 59 A 76 ARG C A 77 LYS N A 77 LYS CA A 77 LYS C 1.0 -90.0 -40.0 PHI 60 60 A 77 LYS N A 77 LYS CA A 77 LYS C A 78 LEU N 1.0 -70.0 -20.0 PSI 61 61 A 77 LYS C A 78 LEU N A 78 LEU CA A 78 LEU C 1.0 -90.0 -40.0 PHI 62 62 A 78 LEU N A 78 LEU CA A 78 LEU C A 79 GLN N 1.0 -70.0 -10.0 PSI 63 63 A 78 LEU C A 79 GLN N A 79 GLN CA A 79 GLN C 1.0 -90.0 -40.0 PHI 64 64 A 79 GLN N A 79 GLN CA A 79 GLN C A 80 ALA N 1.0 -60.0 -20.0 PSI 65 65 A 79 GLN C A 80 ALA N A 80 ALA CA A 80 ALA C 1.0 -90.0 -40.0 PHI 66 66 A 80 ALA N A 80 ALA CA A 80 ALA C A 81 ASP N 1.0 -60.0 0.0 PSI 67 67 A 80 ALA C A 81 ASP N A 81 ASP CA A 81 ASP C 1.0 -120.0 -60.0 PHI 68 68 A 81 ASP N A 81 ASP CA A 81 ASP C A 82 GLY N 1.0 -30.0 30.0 PSI 69 69 A 81 ASP C A 82 GLY N A 82 GLY CA A 82 GLY C 1.0 50.0 110.0 PHI 70 70 A 82 GLY N A 82 GLY CA A 82 GLY C A 83 ARG N 1.0 -30.0 40.0 PSI 71 71 A 83 ARG C A 84 ILE N A 84 ILE CA A 84 ILE C 1.0 -170.0 -50.0 PHI 72 72 A 84 ILE N A 84 ILE CA A 84 ILE C A 85 THR N 1.0 110.0 180.0 PSI 73 73 A 84 ILE C A 85 THR N A 85 THR CA A 85 THR C 1.0 -110.0 -50.0 PHI 74 74 A 85 THR N A 85 THR CA A 85 THR C A 86 GLU N 1.0 130.0 180.0 PSI 75 75 A 85 THR C A 86 GLU N A 86 GLU CA A 86 GLU C 1.0 -90.0 -40.0 PHI 76 76 A 86 GLU N A 86 GLU CA A 86 GLU C A 87 GLU N 1.0 -70.0 -10.0 PSI 77 77 A 86 GLU C A 87 GLU N A 87 GLU CA A 87 GLU C 1.0 -90.0 -40.0 PHI 78 78 A 87 GLU N A 87 GLU CA A 87 GLU C A 88 GLN N 1.0 -70.0 -20.0 PSI 79 79 A 87 GLU C A 88 GLN N A 88 GLN CA A 88 GLN C 1.0 -90.0 -40.0 PHI 80 80 A 88 GLN N A 88 GLN CA A 88 GLN C A 89 ALA N 1.0 -70.0 -20.0 PSI 81 81 A 88 GLN C A 89 ALA N A 89 ALA CA A 89 ALA C 1.0 -80.0 -40.0 PHI 82 82 A 89 ALA N A 89 ALA CA A 89 ALA C A 90 LYS N 1.0 -70.0 -20.0 PSI 83 83 A 89 ALA C A 90 LYS N A 90 LYS CA A 90 LYS C 1.0 -80.0 -40.0 PHI 84 84 A 90 LYS N A 90 LYS CA A 90 LYS C A 91 ALA N 1.0 -70.0 -20.0 PSI 85 85 A 90 LYS C A 91 ALA N A 91 ALA CA A 91 ALA C 1.0 -90.0 -40.0 PHI 86 86 A 91 ALA N A 91 ALA CA A 91 ALA C A 92 TYR N 1.0 -60.0 -20.0 PSI 87 87 A 91 ALA C A 92 TYR N A 92 TYR CA A 92 TYR C 1.0 -80.0 -40.0 PHI 88 88 A 92 TYR N A 92 TYR CA A 92 TYR C A 93 LYS N 1.0 -70.0 -20.0 PSI 89 89 A 92 TYR C A 93 LYS N A 93 LYS CA A 93 LYS C 1.0 -90.0 -40.0 PHI 90 90 A 93 LYS N A 93 LYS CA A 93 LYS C A 94 GLU N 1.0 -60.0 -10.0 PSI 91 91 A 93 LYS C A 94 GLU N A 94 GLU CA A 94 GLU C 1.0 -90.0 -40.0 PHI 92 92 A 94 GLU N A 94 GLU CA A 94 GLU C A 95 TYR N 1.0 -70.0 -20.0 PSI 93 93 A 94 GLU C A 95 TYR N A 95 TYR CA A 95 TYR C 1.0 -90.0 -40.0 PHI 94 94 A 95 TYR N A 95 TYR CA A 95 TYR C A 96 ASN N 1.0 -70.0 -20.0 PSI 95 95 A 95 TYR C A 96 ASN N A 96 ASN CA A 96 ASN C 1.0 -80.0 -40.0 PHI 96 96 A 96 ASN N A 96 ASN CA A 96 ASN C A 97 ASP N 1.0 -70.0 -10.0 PSI 97 97 A 96 ASN C A 97 ASP N A 97 ASP CA A 97 ASP C 1.0 -90.0 -40.0 PHI 98 98 A 97 ASP N A 97 ASP CA A 97 ASP C A 98 LYS N 1.0 -70.0 -20.0 PSI 99 99 A 97 ASP C A 98 LYS N A 98 LYS CA A 98 LYS C 1.0 -90.0 -40.0 PHI 100 100 A 98 LYS N A 98 LYS CA A 98 LYS C A 99 ASN N 1.0 -60.0 0.0 PSI 101 101 A 98 LYS C A 99 ASN N A 99 ASN CA A 99 ASN C 1.0 -120.0 -60.0 PHI 102 102 A 99 ASN N A 99 ASN CA A 99 ASN C A 100 GLY N 1.0 -30.0 20.0 PSI 103 103 A 100 GLY C A 101 GLY N A 101 GLY CA A 101 GLY C 1.0 -110.0 -50.0 PHI 104 104 A 101 GLY N A 101 GLY CA A 101 GLY C A 102 ALA N 1.0 -40.0 20.0 PSI 105 105 A 101 GLY C A 102 ALA N A 102 ALA CA A 102 ALA C 1.0 -110.0 -40.0 PHI 106 106 A 102 ALA N A 102 ALA CA A 102 ALA C A 103 ASN N 1.0 -70.0 10.0 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 41 LYS N A 41 LYS H 1.0 . . . 2 2 A 43 LYS N A 43 LYS H 1.0 . . . 3 3 A 44 GLU N A 44 GLU H 1.0 . . . 4 4 A 45 ALA N A 45 ALA H 1.0 . . . 5 5 A 46 VAL N A 46 VAL H 1.0 . . . 6 6 A 48 ASP N A 48 ASP H 1.0 . . . 7 7 A 50 GLY N A 50 GLY H 1.0 . . . 8 8 A 59 GLU N A 59 GLU H 1.0 . . . 9 9 A 60 SER N A 60 SER H 1.0 . . . 10 10 A 62 ALA N A 62 ALA H 1.0 . . . 11 11 A 69 LYS N A 69 LYS H 1.0 . . . 12 12 A 70 ASN N A 70 ASN H 1.0 . . . 13 13 A 72 ASP N A 72 ASP H 1.0 . . . 14 14 A 73 ALA N A 73 ALA H 1.0 . . . 15 15 A 74 SER N A 74 SER H 1.0 . . . 16 16 A 75 LEU N A 75 LEU H 1.0 . . . 17 17 A 76 ARG N A 76 ARG H 1.0 . . . 18 18 A 78 LEU N A 78 LEU H 1.0 . . . 19 19 A 79 GLN N A 79 GLN H 1.0 . . . 20 20 A 80 ALA N A 80 ALA H 1.0 . . . 21 21 A 81 ASP N A 81 ASP H 1.0 . . . 22 22 A 82 GLY N A 82 GLY H 1.0 . . . 23 23 A 84 ILE N A 84 ILE H 1.0 . . . 24 24 A 86 GLU N A 86 GLU H 1.0 . . . 25 25 A 87 GLU N A 87 GLU H 1.0 . . . 26 26 A 90 LYS N A 90 LYS H 1.0 . . . 27 27 A 91 ALA N A 91 ALA H 1.0 . . . 28 28 A 92 TYR N A 92 TYR H 1.0 . . . 29 29 A 94 GLU N A 94 GLU H 1.0 . . . 30 30 A 95 TYR N A 95 TYR H 1.0 . . . 31 31 A 96 ASN N A 96 ASN H 1.0 . . . 32 32 A 97 ASP N A 97 ASP H 1.0 . . . 33 33 A 99 ASN N A 99 ASN H 1.0 . . . 34 34 A 100 GLY N A 100 GLY H 1.0 . . . 35 35 A 102 ALA N A 102 ALA H 1.0 . . . 36 36 A 103 ASN N A 103 ASN H 1.0 . . . 37 37 A 104 ARG N A 104 ARG H 1.0 . . . 38 38 A 105 LYS N A 105 LYS H 1.0 . . . 39 39 A 106 VAL N A 106 VAL H 1.0 . . . 40 40 A 107 ASN N A 107 ASN H 1.0 . . . 41 41 A 108 ASP N A 108 ASP H 1.0 . . . stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 Hz 1H 10000 'not observed' 2 Hz 1H 8333 'not observed' 3 Hz 13C 9672 'not observed' stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 Hz 1H 5000 'not observed' 2 Hz 1H 8333 'not observed' 3 Hz 15N 3012 'not observed' stop_ save_