data_nef_c18229_2lox 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 2GS0 PDB 2L2I PDB 1Y5O BMRB 6225 PDB 2K2U 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 1 PRO start . false 2 A 2 SER middle . . 3 A 3 HIS middle . . 4 A 4 SER middle . . 5 A 5 GLY middle . false 6 A 6 ALA middle . . 7 A 7 ALA middle . . 8 A 8 ILE middle . . 9 A 9 PHE middle . . 10 A 10 GLU middle . . 11 A 11 LYS middle . . 12 A 12 VAL middle . . 13 A 13 SER middle . . 14 A 14 GLY middle . false 15 A 15 ILE middle . . 16 A 16 ILE middle . . 17 A 17 ALA middle . . 18 A 18 ILE middle . . 19 A 19 ASN middle . . 20 A 20 GLU middle . . 21 A 21 ASP middle . . 22 A 22 VAL middle . . 23 A 23 SER middle . . 24 A 24 PRO middle . true 25 A 25 ALA middle . . 26 A 26 GLU middle . . 27 A 27 LEU middle . . 28 A 28 THR middle . . 29 A 29 TRP middle . . 30 A 30 ARG middle . . 31 A 31 SER middle . . 32 A 32 THR middle . . 33 A 33 ASP middle . . 34 A 34 GLY middle . false 35 A 35 ASP middle . . 36 A 36 LYS middle . . 37 A 37 VAL middle . . 38 A 38 HIS middle . . 39 A 39 THR middle . . 40 A 40 VAL middle . . 41 A 41 VAL middle . . 42 A 42 LEU middle . . 43 A 43 SER middle . . 44 A 44 THR middle . . 45 A 45 ILE middle . . 46 A 46 ASP middle . . 47 A 47 LYS middle . . 48 A 48 LEU middle . . 49 A 49 GLN middle . . 50 A 50 ALA middle . . 51 A 51 THR middle . . 52 A 52 PRO middle . false 53 A 53 ALA middle . . 54 A 54 SER middle . . 55 A 55 SER middle . . 56 A 56 GLU middle . . 57 A 57 LYS middle . . 58 A 58 MET middle . . 59 A 59 MET middle . . 60 A 60 LEU middle . . 61 A 61 ARG middle . . 62 A 62 LEU middle . . 63 A 63 ILE middle . . 64 A 64 GLY middle . false 65 A 65 LYS middle . . 66 A 66 VAL middle . . 67 A 67 ASP middle . . 68 A 68 GLU middle . . 69 A 69 SER middle . . 70 A 70 LYS middle . . 71 A 71 LYS middle . . 72 A 72 ARG middle . . 73 A 73 LYS middle . . 74 A 74 ASP middle . . 75 A 75 ASN middle . . 76 A 76 GLU middle . . 77 A 77 GLY middle . false 78 A 78 ASN middle . . 79 A 79 GLU middle . . 80 A 80 VAL middle . . 81 A 81 VAL middle . . 82 A 82 PRO middle . false 83 A 83 LYS middle . . 84 A 84 PRO middle . false 85 A 85 GLN middle . . 86 A 86 ARG middle . . 87 A 87 HIS middle . . 88 A 88 MET middle . . 89 A 89 PHE middle . . 90 A 90 SER middle . . 91 A 91 PHE middle . . 92 A 92 ASN middle . . 93 A 93 ASN middle . . 94 A 94 ARG middle . . 95 A 95 THR middle . . 96 A 96 VAL middle . . 97 A 97 MET middle . . 98 A 98 ASP middle . . 99 A 99 ASN middle . . 100 A 100 ILE middle . . 101 A 101 LYS middle . . 102 A 102 MET middle . . 103 A 103 THR middle . . 104 A 104 LEU middle . . 105 A 105 GLN middle . . 106 A 106 GLN middle . . 107 A 107 ILE middle . . 108 A 108 ILE middle . . 109 A 109 SER middle . . 110 A 110 ARG middle . . 111 A 111 TYR middle . . 112 A 112 LYS middle . . 113 A 113 ASP middle . . 114 A 114 ALA middle . . 115 A 115 ASP middle . . 116 A 116 GLY middle . false 117 A 117 ASN middle . . 118 A 118 SER middle . . 119 A 119 SER end . . 120 B 640 GLY start . false 121 B 641 SER middle . . 122 B 642 GLU middle . . 123 B 643 ILE middle . . 124 B 644 LEU middle . . 125 B 645 GLU middle . . 126 B 646 ARG middle . . 127 B 647 GLU middle . . 128 B 648 SER middle . . 129 B 649 GLU middle . . 130 B 650 LYS middle . . 131 B 651 GLU middle . . 132 B 652 SER middle . . 133 B 653 SER middle . . 134 B 654 ASN middle . . 135 B 655 ASP middle . . 136 B 656 GLU middle . . 137 B 657 ASN middle . . 138 B 658 LYS middle . . 139 B 659 ASP middle . . 140 B 660 ASP middle . . 141 B 661 ASP middle . . 142 B 662 LEU middle . . 143 B 663 GLU middle . . 144 B 664 VAL middle . . 145 B 665 LEU middle . . 146 B 666 SER middle . . 147 B 667 GLU middle . . 148 B 668 GLU middle . . 149 B 669 LEU middle . . 150 B 670 PHE middle . . 151 B 671 GLU middle . . 152 B 672 ASP middle . . 153 B 673 VAL middle . . 154 B 674 PRO middle . false 155 B 675 THR middle . . 156 B 676 LYS middle . . 157 B 677 SER middle . . 158 B 678 GLN middle . . 159 B 679 ILE middle . . 160 B 680 SER middle . . 161 B 681 LYS middle . . 162 B 682 GLU middle . . 163 B 683 ALA middle . . 164 B 684 GLU middle . . 165 B 685 ASP middle . . 166 B 686 ASN middle . . 167 B 687 ASP middle . . 168 B 688 SER middle . . 169 B 689 ARG middle . . 170 B 690 LYS middle . . 171 B 691 TYR end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 PRO HA H 1 4.535 0.001 A 1 PRO HBx H 1 1.919 0.002 A 1 PRO HBy H 1 2.335 0.003 A 1 PRO HDx H 1 3.780 0.002 A 1 PRO HDy H 1 3.876 0.002 A 1 PRO HGy H 1 2.063 0.013 A 1 PRO HGx H 1 2.023 0.012 A 1 PRO C C 13 176.914 . A 1 PRO CA C 13 63.706 0.042 A 1 PRO CB C 13 32.167 0.046 A 1 PRO CD C 13 50.909 0.043 A 1 PRO CG C 13 27.533 0.053 A 2 SER H H 1 8.061 . A 2 SER HA H 1 4.418 0.002 A 2 SER HBx H 1 3.823 0.005 A 2 SER HBy H 1 3.876 0.005 A 2 SER C C 13 174.994 . A 2 SER CA C 13 58.540 0.029 A 2 SER CB C 13 63.748 0.054 A 2 SER N N 15 113.055 . A 3 HIS H H 1 8.410 . A 3 HIS HA H 1 4.735 0.002 A 3 HIS HBy H 1 3.597 0.005 A 3 HIS HBx H 1 3.174 0.005 A 3 HIS HD2 H 1 7.278 0.004 A 3 HIS C C 13 173.417 . A 3 HIS CA C 13 55.304 0.027 A 3 HIS CB C 13 29.547 0.032 A 3 HIS N N 15 119.062 . A 4 SER H H 1 7.817 . A 4 SER HA H 1 5.516 0.001 A 4 SER HBy H 1 3.897 0.002 A 4 SER HBx H 1 3.843 0.003 A 4 SER C C 13 173.602 . A 4 SER CA C 13 57.005 0.009 A 4 SER CB C 13 65.989 0.038 A 4 SER N N 15 113.520 . A 5 GLY H H 1 8.356 . A 5 GLY HAx H 1 4.106 0.004 A 5 GLY HAy H 1 4.270 0.006 A 5 GLY C C 13 171.058 . A 5 GLY CA C 13 45.471 0.011 A 5 GLY N N 15 106.959 . A 6 ALA H H 1 8.641 . A 6 ALA HA H 1 4.961 0.002 A 6 ALA HB% H 1 1.555 0.002 A 6 ALA C C 13 176.831 . A 6 ALA CA C 13 52.745 0.055 A 6 ALA CB C 13 19.380 0.018 A 6 ALA N N 15 125.264 . A 7 ALA H H 1 8.370 . A 7 ALA HA H 1 4.655 0.007 A 7 ALA HB% H 1 1.006 0.002 A 7 ALA C C 13 176.683 . A 7 ALA CA C 13 51.745 0.046 A 7 ALA CB C 13 24.037 0.033 A 7 ALA N N 15 119.937 . A 8 ILE H H 1 9.349 . A 8 ILE HA H 1 4.995 0.004 A 8 ILE HB H 1 1.578 0.004 A 8 ILE HD1% H 1 0.771 0.002 A 8 ILE HG1y H 1 1.494 0.005 A 8 ILE HG1x H 1 0.964 0.004 A 8 ILE HG2% H 1 0.610 0.004 A 8 ILE C C 13 175.310 . A 8 ILE CA C 13 59.952 0.06 A 8 ILE CB C 13 39.687 0.037 A 8 ILE CD1 C 13 13.691 0.027 A 8 ILE CG1 C 13 29.001 0.03 A 8 ILE CG2 C 13 17.311 0.031 A 8 ILE N N 15 125.430 . A 9 PHE H H 1 8.450 . A 9 PHE HA H 1 4.292 0.006 A 9 PHE HBx H 1 2.497 . A 9 PHE HBy H 1 2.637 . A 9 PHE HDx H 1 6.215 0.003 A 9 PHE HDy H 1 6.215 0.003 A 9 PHE HEx H 1 6.602 0.005 A 9 PHE HEy H 1 6.602 0.005 A 9 PHE HZ H 1 6.357 0.002 A 9 PHE C C 13 173.925 . A 9 PHE CA C 13 56.271 0.03 A 9 PHE CB C 13 39.567 . A 9 PHE CDx C 13 132.032 . A 9 PHE CDy C 13 132.032 . A 9 PHE CEx C 13 129.881 . A 9 PHE CEy C 13 129.881 . A 9 PHE CZ C 13 128.256 . A 9 PHE N N 15 128.906 . A 10 GLU H H 1 8.749 . A 10 GLU HA H 1 3.204 0.003 A 10 GLU HBx H 1 1.244 0.003 A 10 GLU HBy H 1 1.583 0.003 A 10 GLU HGy H 1 1.111 0.003 A 10 GLU HGx H 1 0.606 0.002 A 10 GLU C C 13 175.157 . A 10 GLU CA C 13 56.779 0.043 A 10 GLU CB C 13 26.449 0.046 A 10 GLU CG C 13 34.886 0.011 A 10 GLU N N 15 126.509 . A 11 LYS H H 1 7.931 . A 11 LYS HA H 1 3.403 0.003 A 11 LYS HBx H 1 1.954 0.002 A 11 LYS HBy H 1 2.174 0.006 A 11 LYS HDy H 1 1.627 0.01 A 11 LYS HDx H 1 1.557 0.006 A 11 LYS HEy H 1 2.889 0.003 A 11 LYS HEx H 1 2.888 0.002 A 11 LYS HGx H 1 1.190 0.005 A 11 LYS HGy H 1 1.190 0.004 A 11 LYS C C 13 175.543 . A 11 LYS CA C 13 58.554 0.013 A 11 LYS CB C 13 30.177 0.028 A 11 LYS CD C 13 29.138 0.022 A 11 LYS CE C 13 41.902 0.064 A 11 LYS CG C 13 25.704 0.052 A 11 LYS N N 15 105.729 . A 12 VAL H H 1 7.901 . A 12 VAL HA H 1 4.417 0.002 A 12 VAL HB H 1 2.546 0.003 A 12 VAL HGx% H 1 1.484 0.002 A 12 VAL HGy% H 1 1.132 0.005 A 12 VAL C C 13 175.120 . A 12 VAL CA C 13 61.772 0.053 A 12 VAL CB C 13 34.281 0.024 A 12 VAL CGy C 13 22.551 0.022 A 12 VAL CGx C 13 22.205 0.043 A 12 VAL N N 15 123.753 . A 13 SER H H 1 8.876 . A 13 SER HA H 1 4.627 0.001 A 13 SER HBx H 1 3.989 0.001 A 13 SER HBy H 1 4.033 0.005 A 13 SER C C 13 175.339 . A 13 SER CA C 13 59.813 0.053 A 13 SER CB C 13 63.763 0.031 A 13 SER N N 15 121.941 . A 14 GLY H H 1 8.277 . A 14 GLY HAx H 1 4.178 0.002 A 14 GLY HAy H 1 4.345 0.001 A 14 GLY C C 13 172.742 . A 14 GLY CA C 13 46.520 0.004 A 14 GLY N N 15 113.199 . A 15 ILE H H 1 8.298 . A 15 ILE HA H 1 4.810 0.002 A 15 ILE HB H 1 1.632 0.005 A 15 ILE HD1% H 1 0.774 0.001 A 15 ILE HG1x H 1 1.095 0.002 A 15 ILE HG1y H 1 1.368 0.003 A 15 ILE HG2% H 1 0.778 0.002 A 15 ILE C C 13 175.370 . A 15 ILE CA C 13 59.320 0.018 A 15 ILE CB C 13 41.606 0.022 A 15 ILE CD1 C 13 11.981 0.021 A 15 ILE CG1 C 13 27.413 0.015 A 15 ILE CG2 C 13 17.369 0.045 A 15 ILE N N 15 123.240 . A 16 ILE H H 1 9.428 . A 16 ILE HA H 1 5.000 0.008 A 16 ILE HB H 1 1.627 0.006 A 16 ILE HD1% H 1 0.134 0.009 A 16 ILE HG1x H 1 0.779 0.005 A 16 ILE HG1y H 1 1.543 0.008 A 16 ILE HG2% H 1 0.795 0.003 A 16 ILE C C 13 173.119 . A 16 ILE CA C 13 59.755 0.07 A 16 ILE CB C 13 41.868 0.056 A 16 ILE CD1 C 13 13.926 0.039 A 16 ILE CG1 C 13 29.805 0.033 A 16 ILE CG2 C 13 16.567 0.031 A 16 ILE N N 15 127.865 . A 17 ALA H H 1 8.966 . A 17 ALA HA H 1 5.074 0.005 A 17 ALA HB% H 1 1.353 0.002 A 17 ALA C C 13 176.203 . A 17 ALA CA C 13 51.391 0.074 A 17 ALA CB C 13 22.190 0.018 A 17 ALA N N 15 127.742 . A 18 ILE H H 1 8.672 . A 18 ILE HA H 1 4.621 0.003 A 18 ILE HB H 1 1.800 0.005 A 18 ILE HD1% H 1 0.803 0.004 A 18 ILE HG1y H 1 1.535 0.005 A 18 ILE HG1x H 1 0.877 0.003 A 18 ILE HG2% H 1 0.694 0.003 A 18 ILE C C 13 174.306 . A 18 ILE CA C 13 60.500 0.03 A 18 ILE CB C 13 39.147 0.062 A 18 ILE CD1 C 13 14.865 0.024 A 18 ILE CG1 C 13 28.753 0.031 A 18 ILE CG2 C 13 18.060 0.027 A 18 ILE N N 15 122.269 . A 19 ASN H H 1 9.350 . A 19 ASN HA H 1 5.062 0.002 A 19 ASN HBy H 1 3.107 0.005 A 19 ASN HBx H 1 2.734 0.003 A 19 ASN HD21 H 1 6.844 . A 19 ASN HD22 H 1 7.688 . A 19 ASN C C 13 174.730 . A 19 ASN CA C 13 51.729 0.015 A 19 ASN CB C 13 39.496 0.04 A 19 ASN N N 15 127.575 . A 19 ASN ND2 N 15 110.812 . A 20 GLU H H 1 9.037 . A 20 GLU HA H 1 4.677 0.002 A 20 GLU HBy H 1 2.394 0.004 A 20 GLU HBx H 1 2.000 0.005 A 20 GLU HGx H 1 2.080 0.004 A 20 GLU HGy H 1 2.196 0.003 A 20 GLU C C 13 176.091 . A 20 GLU CA C 13 55.802 0.043 A 20 GLU CB C 13 30.672 0.031 A 20 GLU CG C 13 38.538 0.014 A 20 GLU N N 15 121.547 . A 21 ASP H H 1 8.706 . A 21 ASP HA H 1 4.629 0.003 A 21 ASP HBy H 1 2.886 0.003 A 21 ASP HBx H 1 2.812 0.004 A 21 ASP C C 13 175.651 . A 21 ASP CA C 13 55.499 0.044 A 21 ASP CB C 13 40.550 0.052 A 21 ASP N N 15 121.086 . A 22 VAL H H 1 6.819 . A 22 VAL HA H 1 4.316 0.001 A 22 VAL HB H 1 2.005 0.001 A 22 VAL HGx% H 1 0.830 0.003 A 22 VAL HGy% H 1 0.778 0.002 A 22 VAL C C 13 173.407 . A 22 VAL CA C 13 59.153 0.028 A 22 VAL CB C 13 34.029 0.008 A 22 VAL CGx C 13 17.995 0.02 A 22 VAL CGy C 13 21.240 0.012 A 22 VAL N N 15 113.108 . A 23 SER H H 1 8.032 . A 23 SER HA H 1 4.735 0.002 A 23 SER HBy H 1 3.733 0.001 A 23 SER HBx H 1 3.605 0.003 A 23 SER CA C 13 53.848 0.036 A 23 SER CB C 13 64.810 0.027 A 23 SER N N 15 115.009 . A 24 PRO HA H 1 4.784 0.003 A 24 PRO HBx H 1 1.856 0.005 A 24 PRO HBy H 1 2.208 0.004 A 24 PRO HD2 H 1 3.480 0.005 A 24 PRO HD3 H 1 3.480 0.005 A 24 PRO HGy H 1 1.844 0.005 A 24 PRO HGx H 1 1.788 0.003 A 24 PRO C C 13 174.825 . A 24 PRO CA C 13 62.848 0.023 A 24 PRO CB C 13 34.801 0.052 A 24 PRO CD C 13 49.769 0.023 A 24 PRO CG C 13 26.010 0.036 A 25 ALA H H 1 8.013 . A 25 ALA HA H 1 4.515 0.002 A 25 ALA HB% H 1 1.545 0.002 A 25 ALA C C 13 175.878 . A 25 ALA CA C 13 52.608 0.019 A 25 ALA CB C 13 20.454 0.019 A 25 ALA N N 15 120.477 . A 26 GLU H H 1 7.821 . A 26 GLU HA H 1 5.071 0.003 A 26 GLU HBy H 1 1.803 0.004 A 26 GLU HBx H 1 1.724 0.005 A 26 GLU HGy H 1 2.385 0.003 A 26 GLU HGx H 1 2.016 0.003 A 26 GLU C C 13 174.599 . A 26 GLU CA C 13 53.987 0.053 A 26 GLU CB C 13 34.265 0.031 A 26 GLU CG C 13 35.688 0.071 A 26 GLU N N 15 115.417 . A 27 LEU H H 1 8.863 . A 27 LEU HA H 1 5.038 0.004 A 27 LEU HBy H 1 1.656 0.007 A 27 LEU HBx H 1 1.384 0.006 A 27 LEU HDx% H 1 0.590 0.006 A 27 LEU HDy% H 1 0.675 0.008 A 27 LEU HG H 1 1.394 0.008 A 27 LEU C C 13 174.704 . A 27 LEU CA C 13 53.757 0.027 A 27 LEU CB C 13 45.646 0.032 A 27 LEU CDy C 13 27.196 0.008 A 27 LEU CDx C 13 25.949 0.039 A 27 LEU CG C 13 27.265 0.031 A 27 LEU N N 15 124.622 . A 28 THR H H 1 9.276 . A 28 THR HA H 1 5.152 0.003 A 28 THR HB H 1 3.956 0.002 A 28 THR HG2% H 1 1.120 0.003 A 28 THR C C 13 172.573 . A 28 THR CA C 13 61.452 0.036 A 28 THR CB C 13 71.480 0.02 A 28 THR CG2 C 13 21.893 0.038 A 28 THR N N 15 121.755 . A 29 TRP H H 1 9.383 . A 29 TRP HA H 1 5.448 0.007 A 29 TRP HBy H 1 3.169 0.008 A 29 TRP HBx H 1 2.821 0.006 A 29 TRP HD1 H 1 6.667 0.003 A 29 TRP HE1 H 1 9.485 . A 29 TRP HE3 H 1 7.293 . A 29 TRP HH2 H 1 7.108 0.005 A 29 TRP HZ2 H 1 7.641 0.007 A 29 TRP HZ3 H 1 6.882 . A 29 TRP C C 13 173.881 . A 29 TRP CA C 13 55.790 0.027 A 29 TRP CB C 13 32.330 0.016 A 29 TRP CD1 C 13 124.496 0.0 A 29 TRP CH2 C 13 124.597 0.031 A 29 TRP CZ2 C 13 114.833 0.04 A 29 TRP N N 15 128.764 . A 29 TRP NE1 N 15 126.258 . A 30 ARG H H 1 7.579 . A 30 ARG HA H 1 4.807 0.003 A 30 ARG HBx H 1 1.431 0.006 A 30 ARG HBy H 1 1.542 0.005 A 30 ARG HDy H 1 3.099 0.002 A 30 ARG HDx H 1 3.036 0.003 A 30 ARG HE H 1 7.113 . A 30 ARG HGx H 1 1.443 0.005 A 30 ARG HGy H 1 1.604 0.007 A 30 ARG C C 13 174.712 . A 30 ARG CA C 13 53.468 0.045 A 30 ARG CB C 13 33.818 0.017 A 30 ARG CD C 13 43.328 0.039 A 30 ARG CG C 13 27.324 0.026 A 30 ARG N N 15 126.417 . A 30 ARG NE N 15 84.731 . A 31 SER H H 1 8.078 . A 31 SER HA H 1 4.480 0.005 A 31 SER HB2 H 1 3.877 0.003 A 31 SER HB3 H 1 3.877 0.003 A 31 SER C C 13 176.360 . A 31 SER CA C 13 58.070 . A 31 SER CB C 13 64.272 . A 31 SER N N 15 118.415 . A 32 THR H H 1 8.520 . A 32 THR HA H 1 3.847 0.001 A 32 THR HB H 1 4.121 0.002 A 32 THR HG2% H 1 1.225 0.001 A 32 THR C C 13 175.602 . A 32 THR CA C 13 66.265 0.012 A 32 THR CB C 13 68.557 0.026 A 32 THR CG2 C 13 22.208 0.056 A 32 THR N N 15 119.175 . A 33 ASP H H 1 8.223 . A 33 ASP HA H 1 4.617 0.002 A 33 ASP HBy H 1 2.822 0.002 A 33 ASP HBx H 1 2.717 0.0 A 33 ASP C C 13 177.056 . A 33 ASP CA C 13 54.225 0.021 A 33 ASP CB C 13 40.878 0.05 A 33 ASP N N 15 117.286 . A 34 GLY H H 1 7.914 . A 34 GLY HAy H 1 4.129 0.002 A 34 GLY HAx H 1 3.521 0.008 A 34 GLY C C 13 173.762 . A 34 GLY CA C 13 45.399 0.051 A 34 GLY N N 15 109.197 . A 35 ASP H H 1 8.238 . A 35 ASP HA H 1 4.519 0.003 A 35 ASP HBy H 1 2.751 0.001 A 35 ASP HBx H 1 2.677 0.001 A 35 ASP C C 13 175.366 . A 35 ASP CA C 13 54.860 0.038 A 35 ASP CB C 13 40.973 0.043 A 35 ASP N N 15 118.081 . A 36 LYS H H 1 7.749 . A 36 LYS HA H 1 4.834 0.003 A 36 LYS HBx H 1 1.936 0.004 A 36 LYS HBy H 1 2.202 0.002 A 36 LYS HD2 H 1 1.993 0.004 A 36 LYS HD3 H 1 1.993 0.004 A 36 LYS HEx H 1 3.192 0.004 A 36 LYS HEy H 1 3.193 0.004 A 36 LYS HGx H 1 1.628 0.004 A 36 LYS HGy H 1 1.741 0.004 A 36 LYS C C 13 174.568 . A 36 LYS CA C 13 55.536 0.025 A 36 LYS CB C 13 35.779 0.056 A 36 LYS CD C 13 29.603 0.012 A 36 LYS CE C 13 42.223 0.012 A 36 LYS CG C 13 25.369 0.027 A 36 LYS N N 15 120.362 . A 37 VAL H H 1 8.526 . A 37 VAL HA H 1 5.271 0.003 A 37 VAL HB H 1 2.035 0.002 A 37 VAL HGx% H 1 0.922 0.004 A 37 VAL HGy% H 1 0.922 0.004 A 37 VAL C C 13 175.209 . A 37 VAL CA C 13 60.263 0.031 A 37 VAL CB C 13 35.983 0.034 A 37 VAL CG1 C 13 20.927 0.028 A 37 VAL CG2 C 13 20.927 0.028 A 37 VAL N N 15 121.758 . A 38 HIS H H 1 9.633 . A 38 HIS HA H 1 5.021 0.001 A 38 HIS HBy H 1 2.833 . A 38 HIS HBx H 1 2.762 . A 38 HIS C C 13 173.116 . A 38 HIS CA C 13 55.808 0.056 A 38 HIS CB C 13 32.983 . A 38 HIS N N 15 126.087 . A 39 THR H H 1 8.415 . A 39 THR HA H 1 5.155 0.004 A 39 THR HB H 1 3.766 0.004 A 39 THR HG2% H 1 0.994 0.003 A 39 THR C C 13 173.102 . A 39 THR CA C 13 61.637 0.048 A 39 THR CB C 13 70.716 0.05 A 39 THR CG2 C 13 21.662 0.04 A 39 THR N N 15 124.455 . A 40 VAL H H 1 9.387 . A 40 VAL HA H 1 3.953 0.002 A 40 VAL HB H 1 1.836 0.003 A 40 VAL HGx% H 1 0.358 0.005 A 40 VAL HGy% H 1 0.349 0.007 A 40 VAL C C 13 174.693 . A 40 VAL CA C 13 60.348 0.03 A 40 VAL CB C 13 34.274 0.01 A 40 VAL CGy C 13 21.281 0.021 A 40 VAL CGx C 13 19.966 0.031 A 40 VAL N N 15 126.066 . A 41 VAL H H 1 9.021 . A 41 VAL HA H 1 3.988 0.004 A 41 VAL HB H 1 2.031 0.003 A 41 VAL HGx% H 1 1.018 0.006 A 41 VAL HGy% H 1 0.948 0.002 A 41 VAL C C 13 179.424 . A 41 VAL CA C 13 63.744 0.048 A 41 VAL CB C 13 30.951 0.024 A 41 VAL CGy C 13 22.035 0.032 A 41 VAL CGx C 13 21.259 0.027 A 41 VAL N N 15 129.775 . A 42 LEU H H 1 9.147 . A 42 LEU HA H 1 3.973 0.005 A 42 LEU HBy H 1 1.825 0.004 A 42 LEU HBx H 1 1.455 0.002 A 42 LEU HDx% H 1 0.751 0.004 A 42 LEU HDy% H 1 0.701 0.004 A 42 LEU HG H 1 1.710 0.004 A 42 LEU C C 13 176.259 . A 42 LEU CA C 13 58.643 0.061 A 42 LEU CB C 13 40.828 0.068 A 42 LEU CDy C 13 26.457 0.025 A 42 LEU CDx C 13 23.006 0.012 A 42 LEU CG C 13 27.339 0.064 A 42 LEU N N 15 129.645 . A 43 SER H H 1 7.006 . A 43 SER HA H 1 4.310 0.001 A 43 SER HBx H 1 3.883 0.003 A 43 SER HBy H 1 3.884 0.003 A 43 SER C C 13 175.263 . A 43 SER CA C 13 59.620 . A 43 SER CB C 13 61.543 . A 43 SER N N 15 110.158 . A 44 THR H H 1 7.571 . A 44 THR HA H 1 4.504 0.003 A 44 THR HB H 1 4.661 0.002 A 44 THR HG2% H 1 1.205 0.001 A 44 THR C C 13 173.489 . A 44 THR CA C 13 62.024 0.01 A 44 THR CB C 13 69.805 0.014 A 44 THR CG2 C 13 21.048 0.034 A 44 THR N N 15 110.206 . A 45 ILE H H 1 6.975 . A 45 ILE HA H 1 4.267 0.001 A 45 ILE HB H 1 2.255 0.004 A 45 ILE HD1% H 1 0.577 0.003 A 45 ILE HG1y H 1 1.739 0.004 A 45 ILE HG1x H 1 1.099 0.007 A 45 ILE HG2% H 1 0.901 0.003 A 45 ILE C C 13 174.103 . A 45 ILE CA C 13 57.970 0.017 A 45 ILE CB C 13 36.560 0.007 A 45 ILE CD1 C 13 8.791 0.01 A 45 ILE CG1 C 13 27.081 0.021 A 45 ILE CG2 C 13 19.003 0.037 A 45 ILE N N 15 120.322 . A 46 ASP H H 1 9.262 . A 46 ASP HA H 1 4.711 0.005 A 46 ASP HBy H 1 2.513 0.006 A 46 ASP HBx H 1 2.434 0.004 A 46 ASP C C 13 175.431 . A 46 ASP CA C 13 54.833 0.027 A 46 ASP CB C 13 44.535 0.025 A 46 ASP N N 15 126.492 . A 47 LYS H H 1 7.572 . A 47 LYS HA H 1 4.707 0.005 A 47 LYS HBy H 1 1.735 0.002 A 47 LYS HBx H 1 1.616 0.002 A 47 LYS HDy H 1 1.693 0.003 A 47 LYS HDx H 1 1.611 0.002 A 47 LYS HEy H 1 2.927 0.002 A 47 LYS HEx H 1 2.876 0.009 A 47 LYS HG2 H 1 1.289 0.005 A 47 LYS HG3 H 1 1.289 0.005 A 47 LYS C C 13 172.673 . A 47 LYS CA C 13 54.821 0.056 A 47 LYS CB C 13 36.609 0.037 A 47 LYS CD C 13 29.643 0.028 A 47 LYS CE C 13 42.061 0.027 A 47 LYS CG C 13 24.543 0.029 A 47 LYS N N 15 112.726 . A 48 LEU H H 1 9.013 . A 48 LEU HA H 1 5.051 0.005 A 48 LEU HBx H 1 1.187 0.007 A 48 LEU HBy H 1 1.875 0.008 A 48 LEU HDx% H 1 1.013 0.005 A 48 LEU HDy% H 1 0.855 0.005 A 48 LEU HG H 1 1.464 0.008 A 48 LEU C C 13 173.965 . A 48 LEU CA C 13 53.020 0.048 A 48 LEU CB C 13 45.564 0.04 A 48 LEU CDx C 13 24.503 0.045 A 48 LEU CDy C 13 27.103 0.032 A 48 LEU CG C 13 27.620 0.017 A 48 LEU N N 15 124.840 . A 49 GLN H H 1 9.260 . A 49 GLN HA H 1 5.518 0.004 A 49 GLN HB2 H 1 1.913 0.018 A 49 GLN HB3 H 1 1.913 0.018 A 49 GLN HE21 H 1 7.810 . A 49 GLN HE22 H 1 6.939 . A 49 GLN HGy H 1 2.442 0.009 A 49 GLN HGx H 1 1.912 0.006 A 49 GLN C C 13 174.700 . A 49 GLN CA C 13 53.599 0.009 A 49 GLN CB C 13 34.026 . A 49 GLN CG C 13 33.756 0.042 A 49 GLN N N 15 121.648 . A 49 GLN NE2 N 15 112.398 . A 50 ALA H H 1 9.286 . A 50 ALA HA H 1 5.747 0.004 A 50 ALA HB% H 1 1.381 0.002 A 50 ALA C C 13 177.167 . A 50 ALA CA C 13 50.592 0.029 A 50 ALA CB C 13 24.363 0.039 A 50 ALA N N 15 122.020 . A 51 THR H H 1 8.340 . A 51 THR HA H 1 4.735 0.003 A 51 THR HB H 1 4.237 0.004 A 51 THR HG2% H 1 0.838 0.008 A 51 THR CA C 13 59.228 0.038 A 51 THR CB C 13 67.954 0.04 A 51 THR CG2 C 13 23.448 0.048 A 51 THR N N 15 114.222 . A 52 PRO HA H 1 4.570 0.002 A 52 PRO HBx H 1 2.012 0.003 A 52 PRO HBy H 1 2.402 0.004 A 52 PRO HGy H 1 2.011 0.008 A 52 PRO HGx H 1 1.957 0.006 A 52 PRO C C 13 178.621 . A 52 PRO CA C 13 62.428 0.014 A 52 PRO CB C 13 32.719 0.05 A 52 PRO CD C 13 51.275 . A 52 PRO CG C 13 27.537 0.039 A 53 ALA H H 1 9.109 . A 53 ALA HA H 1 4.055 0.001 A 53 ALA HB% H 1 1.444 0.004 A 53 ALA C C 13 177.578 . A 53 ALA CA C 13 54.820 0.028 A 53 ALA CB C 13 17.857 0.079 A 53 ALA N N 15 126.566 . A 54 SER H H 1 7.595 . A 54 SER HA H 1 4.235 0.003 A 54 SER HBy H 1 4.055 0.001 A 54 SER HBx H 1 3.804 0.004 A 54 SER C C 13 174.838 . A 54 SER CA C 13 58.116 0.019 A 54 SER CB C 13 63.021 0.025 A 54 SER N N 15 107.184 . A 55 SER H H 1 7.613 . A 55 SER HA H 1 4.484 0.003 A 55 SER HBy H 1 3.953 0.007 A 55 SER HBx H 1 3.873 0.005 A 55 SER C C 13 174.833 . A 55 SER CA C 13 57.510 0.004 A 55 SER CB C 13 64.121 0.058 A 55 SER N N 15 117.098 . A 56 GLU H H 1 8.849 . A 56 GLU HA H 1 4.129 0.009 A 56 GLU HBy H 1 2.185 0.016 A 56 GLU HBx H 1 1.987 0.001 A 56 GLU HGx H 1 2.282 0.009 A 56 GLU HGy H 1 2.394 0.007 A 56 GLU C C 13 177.852 . A 56 GLU CA C 13 57.612 0.052 A 56 GLU CB C 13 29.424 0.042 A 56 GLU CG C 13 36.199 0.047 A 56 GLU N N 15 125.258 . A 57 LYS H H 1 8.060 . A 57 LYS HA H 1 4.299 0.003 A 57 LYS HBy H 1 1.753 0.005 A 57 LYS HBx H 1 1.660 0.007 A 57 LYS HDx H 1 1.570 0.003 A 57 LYS HDy H 1 1.632 0.011 A 57 LYS HEy H 1 2.944 0.003 A 57 LYS HEx H 1 2.943 0.003 A 57 LYS HGy H 1 1.454 0.005 A 57 LYS HGx H 1 1.394 0.004 A 57 LYS C C 13 175.699 . A 57 LYS CA C 13 55.645 0.041 A 57 LYS CB C 13 33.270 0.035 A 57 LYS CD C 13 28.758 0.029 A 57 LYS CE C 13 42.052 0.051 A 57 LYS CG C 13 25.286 0.062 A 57 LYS N N 15 119.058 . A 58 MET H H 1 8.828 . A 58 MET HA H 1 4.345 0.004 A 58 MET HBy H 1 2.448 0.005 A 58 MET HBx H 1 2.133 0.005 A 58 MET HE% H 1 2.138 0.002 A 58 MET HGy H 1 2.285 . A 58 MET HGx H 1 2.038 . A 58 MET C C 13 174.213 . A 58 MET CA C 13 55.170 0.025 A 58 MET CB C 13 35.330 0.012 A 58 MET CE C 13 19.120 0.033 A 58 MET N N 15 123.967 . A 59 MET H H 1 8.528 . A 59 MET HA H 1 5.905 0.005 A 59 MET HBx H 1 1.993 0.008 A 59 MET HBy H 1 2.294 0.011 A 59 MET HE% H 1 1.873 0.004 A 59 MET HGy H 1 2.859 0.007 A 59 MET HGx H 1 2.389 0.008 A 59 MET C C 13 174.521 . A 59 MET CA C 13 55.038 0.022 A 59 MET CB C 13 39.549 0.035 A 59 MET CE C 13 17.777 0.028 A 59 MET CG C 13 32.674 0.064 A 59 MET N N 15 120.929 . A 60 LEU H H 1 9.052 . A 60 LEU HA H 1 5.665 0.004 A 60 LEU HBy H 1 1.900 0.005 A 60 LEU HBx H 1 1.660 0.003 A 60 LEU HDx% H 1 0.891 0.003 A 60 LEU HDy% H 1 1.104 0.002 A 60 LEU HG H 1 1.936 0.006 A 60 LEU C C 13 175.763 . A 60 LEU CA C 13 53.185 0.031 A 60 LEU CB C 13 47.561 0.056 A 60 LEU CDy C 13 25.925 0.021 A 60 LEU CDx C 13 24.671 0.033 A 60 LEU CG C 13 26.826 0.091 A 60 LEU N N 15 117.623 . A 61 ARG H H 1 9.180 . A 61 ARG HA H 1 5.471 0.006 A 61 ARG HBy H 1 1.345 0.004 A 61 ARG HBx H 1 0.956 0.005 A 61 ARG HD2 H 1 3.107 0.002 A 61 ARG HD3 H 1 3.107 0.002 A 61 ARG HG2 H 1 1.463 . A 61 ARG HG3 H 1 1.463 . A 61 ARG C C 13 173.286 . A 61 ARG CA C 13 54.931 0.052 A 61 ARG CB C 13 35.335 0.031 A 61 ARG CD C 13 43.280 . A 61 ARG N N 15 120.407 . A 62 LEU H H 1 9.203 . A 62 LEU HA H 1 5.198 0.006 A 62 LEU HBx H 1 1.739 0.007 A 62 LEU HBy H 1 1.853 0.009 A 62 LEU HDx% H 1 1.030 0.003 A 62 LEU HDy% H 1 0.957 0.005 A 62 LEU HG H 1 1.847 0.003 A 62 LEU C C 13 175.447 . A 62 LEU CA C 13 54.408 0.037 A 62 LEU CB C 13 43.433 0.013 A 62 LEU CDy C 13 27.519 0.011 A 62 LEU CDx C 13 25.494 0.022 A 62 LEU CG C 13 29.255 0.059 A 62 LEU N N 15 126.471 . A 63 ILE H H 1 8.983 . A 63 ILE HA H 1 4.697 0.005 A 63 ILE HB H 1 1.904 0.006 A 63 ILE HD1% H 1 0.614 0.002 A 63 ILE HG1y H 1 1.263 0.002 A 63 ILE HG1x H 1 0.983 0.005 A 63 ILE HG2% H 1 1.049 0.002 A 63 ILE C C 13 176.525 . A 63 ILE CA C 13 59.676 0.015 A 63 ILE CB C 13 38.705 0.058 A 63 ILE CD1 C 13 11.729 0.017 A 63 ILE CG1 C 13 27.281 0.032 A 63 ILE CG2 C 13 17.446 0.04 A 63 ILE N N 15 123.282 . A 64 GLY H H 1 9.372 . A 64 GLY HAx H 1 3.962 . A 64 GLY HAy H 1 4.006 0.001 A 64 GLY C C 13 172.300 . A 64 GLY CA C 13 45.662 . A 64 GLY N N 15 115.647 . A 65 LYS H H 1 8.289 . A 65 LYS HA H 1 4.306 0.004 A 65 LYS HBy H 1 1.882 0.002 A 65 LYS HBx H 1 1.610 0.003 A 65 LYS HDy H 1 1.691 0.003 A 65 LYS HDx H 1 1.610 0.002 A 65 LYS HEy H 1 2.935 0.006 A 65 LYS HEx H 1 2.865 0.002 A 65 LYS HGx H 1 1.261 0.006 A 65 LYS HGy H 1 1.416 0.004 A 65 LYS C C 13 177.404 . A 65 LYS CA C 13 56.501 0.026 A 65 LYS CB C 13 34.418 0.036 A 65 LYS CD C 13 29.623 0.035 A 65 LYS CE C 13 42.045 0.042 A 65 LYS CG C 13 26.113 0.044 A 65 LYS N N 15 119.107 . A 66 VAL H H 1 8.607 . A 66 VAL HA H 1 4.079 0.003 A 66 VAL HB H 1 1.964 0.004 A 66 VAL HGx% H 1 0.834 0.002 A 66 VAL HGy% H 1 0.899 0.002 A 66 VAL C C 13 175.253 . A 66 VAL CA C 13 62.136 0.027 A 66 VAL CB C 13 33.284 0.02 A 66 VAL CGx C 13 21.048 0.051 A 66 VAL CGy C 13 21.274 0.03 A 66 VAL N N 15 122.231 . A 67 ASP H H 1 8.457 . A 67 ASP HA H 1 4.699 0.003 A 67 ASP HBy H 1 2.829 0.003 A 67 ASP HBx H 1 2.584 0.001 A 67 ASP C C 13 176.601 . A 67 ASP CA C 13 53.058 0.032 A 67 ASP CB C 13 40.872 0.039 A 67 ASP N N 15 125.538 . A 68 GLU H H 1 8.712 . A 68 GLU HA H 1 4.124 0.002 A 68 GLU HBy H 1 2.147 . A 68 GLU HBx H 1 1.952 . A 68 GLU HGx H 1 2.209 . A 68 GLU HGy H 1 2.322 . A 68 GLU C C 13 177.344 . A 68 GLU CA C 13 57.635 0.076 A 68 GLU CB C 13 29.680 . A 68 GLU CG C 13 36.350 . A 68 GLU N N 15 124.433 . A 69 SER H H 1 8.467 . A 69 SER HA H 1 4.328 0.001 A 69 SER HBy H 1 3.989 0.004 A 69 SER HBx H 1 3.934 0.0 A 69 SER C C 13 175.180 . A 69 SER CA C 13 60.146 0.034 A 69 SER CB C 13 63.383 0.027 A 69 SER N N 15 115.596 . A 70 LYS H H 1 7.675 . A 70 LYS HA H 1 4.406 0.003 A 70 LYS HBy H 1 1.935 0.003 A 70 LYS HBx H 1 1.759 0.008 A 70 LYS HDy H 1 1.672 0.011 A 70 LYS HDx H 1 1.670 0.011 A 70 LYS HEx H 1 2.997 0.004 A 70 LYS HEy H 1 2.997 0.004 A 70 LYS HGx H 1 1.355 0.005 A 70 LYS HGy H 1 1.466 0.004 A 70 LYS C C 13 176.165 . A 70 LYS CA C 13 55.410 0.011 A 70 LYS CB C 13 32.500 0.039 A 70 LYS CD C 13 28.773 0.059 A 70 LYS CE C 13 42.124 0.069 A 70 LYS CG C 13 24.926 0.06 A 70 LYS N N 15 121.738 . A 71 LYS H H 1 7.739 . A 71 LYS HA H 1 4.408 0.001 A 71 LYS HBx H 1 1.757 0.008 A 71 LYS HBy H 1 1.804 0.008 A 71 LYS HD2 H 1 1.661 0.002 A 71 LYS HD3 H 1 1.661 0.002 A 71 LYS HE2 H 1 2.919 . A 71 LYS HE3 H 1 2.919 . A 71 LYS HGx H 1 1.374 0.005 A 71 LYS HGy H 1 1.467 0.004 A 71 LYS C C 13 176.134 . A 71 LYS CA C 13 56.605 0.038 A 71 LYS CB C 13 33.283 0.031 A 71 LYS CD C 13 29.287 . A 71 LYS CE C 13 42.024 . A 71 LYS CG C 13 25.112 0.043 A 71 LYS N N 15 121.087 . A 72 ARG H H 1 8.402 . A 72 ARG HA H 1 4.584 0.002 A 72 ARG HBx H 1 1.760 0.002 A 72 ARG HBy H 1 1.881 0.002 A 72 ARG HDx H 1 3.198 0.004 A 72 ARG HDy H 1 3.198 0.004 A 72 ARG HGx H 1 1.568 0.013 A 72 ARG HGy H 1 1.590 0.012 A 72 ARG C C 13 175.217 . A 72 ARG CA C 13 55.041 0.02 A 72 ARG CB C 13 32.354 0.037 A 72 ARG CD C 13 43.279 0.026 A 72 ARG CG C 13 26.968 0.025 A 72 ARG N N 15 122.147 . A 73 LYS H H 1 8.386 . A 73 LYS HA H 1 4.899 0.002 A 73 LYS HB2 H 1 1.722 0.002 A 73 LYS HB3 H 1 1.722 0.002 A 73 LYS HD2 H 1 1.620 0.005 A 73 LYS HD3 H 1 1.620 0.005 A 73 LYS HEy H 1 2.964 0.003 A 73 LYS HEx H 1 2.963 0.003 A 73 LYS HGy H 1 1.417 0.002 A 73 LYS HGx H 1 1.308 0.001 A 73 LYS C C 13 176.966 . A 73 LYS CA C 13 55.365 0.028 A 73 LYS CB C 13 34.631 0.045 A 73 LYS CD C 13 29.169 0.045 A 73 LYS CE C 13 41.959 0.0 A 73 LYS CG C 13 25.230 0.008 A 73 LYS N N 15 121.242 . A 74 ASP H H 1 8.559 . A 74 ASP HA H 1 4.651 0.001 A 74 ASP HBy H 1 3.170 0.002 A 74 ASP HBx H 1 2.641 0.001 A 74 ASP C C 13 177.401 . A 74 ASP CA C 13 52.840 0.023 A 74 ASP CB C 13 41.008 0.04 A 74 ASP N N 15 122.007 . A 75 ASN H H 1 8.414 . A 75 ASN HA H 1 4.535 0.001 A 75 ASN HB2 H 1 2.863 0.001 A 75 ASN HB3 H 1 2.863 0.001 A 75 ASN HD21 H 1 6.931 . A 75 ASN HD22 H 1 7.630 . A 75 ASN C C 13 175.944 . A 75 ASN CA C 13 54.877 0.022 A 75 ASN CB C 13 38.110 0.004 A 75 ASN N N 15 116.263 . A 75 ASN ND2 N 15 113.106 . A 76 GLU H H 1 8.133 . A 76 GLU HA H 1 4.393 0.001 A 76 GLU HBy H 1 2.220 0.001 A 76 GLU HBx H 1 1.985 0.001 A 76 GLU HGy H 1 2.275 0.013 A 76 GLU HGx H 1 2.269 0.002 A 76 GLU C C 13 176.512 . A 76 GLU CA C 13 56.166 0.051 A 76 GLU CB C 13 30.010 0.07 A 76 GLU CG C 13 36.132 0.026 A 76 GLU N N 15 118.940 . A 77 GLY H H 1 8.083 . A 77 GLY HAy H 1 4.199 0.003 A 77 GLY HAx H 1 3.665 0.001 A 77 GLY C C 13 174.193 . A 77 GLY CA C 13 45.287 0.023 A 77 GLY N N 15 108.056 . A 78 ASN H H 1 8.537 . A 78 ASN HA H 1 4.742 0.001 A 78 ASN HBy H 1 2.856 0.003 A 78 ASN HBx H 1 2.659 0.001 A 78 ASN HD21 H 1 8.226 . A 78 ASN HD22 H 1 7.049 . A 78 ASN C C 13 175.006 . A 78 ASN CA C 13 52.827 0.018 A 78 ASN CB C 13 38.996 0.034 A 78 ASN N N 15 119.896 . A 78 ASN ND2 N 15 117.172 . A 79 GLU H H 1 8.674 . A 79 GLU HA H 1 4.471 0.002 A 79 GLU HBx H 1 1.932 0.004 A 79 GLU HBy H 1 1.932 0.003 A 79 GLU HGx H 1 2.146 0.003 A 79 GLU HGy H 1 2.300 0.001 A 79 GLU C C 13 176.268 . A 79 GLU CA C 13 56.610 0.05 A 79 GLU CB C 13 30.307 0.025 A 79 GLU CG C 13 36.250 0.046 A 79 GLU N N 15 121.648 . A 80 VAL H H 1 8.554 . A 80 VAL HA H 1 4.248 0.001 A 80 VAL HB H 1 1.960 0.002 A 80 VAL HGx% H 1 0.860 0.006 A 80 VAL HGy% H 1 0.867 0.003 A 80 VAL C C 13 175.537 . A 80 VAL CA C 13 61.465 0.005 A 80 VAL CB C 13 33.553 0.063 A 80 VAL CGy C 13 20.908 0.055 A 80 VAL CGx C 13 20.481 0.018 A 80 VAL N N 15 124.083 . A 81 VAL H H 1 8.390 . A 81 VAL HA H 1 4.427 0.003 A 81 VAL HB H 1 2.035 0.002 A 81 VAL HGx% H 1 0.972 . A 81 VAL HGy% H 1 0.976 0.006 A 81 VAL CA C 13 59.605 0.041 A 81 VAL CB C 13 32.876 0.031 A 81 VAL CG2 C 13 21.177 0.032 A 81 VAL N N 15 126.640 . A 82 PRO HA H 1 4.427 0.003 A 82 PRO HBx H 1 1.869 0.003 A 82 PRO HBy H 1 2.274 0.001 A 82 PRO HDx H 1 3.632 0.002 A 82 PRO HDy H 1 3.853 0.002 A 82 PRO HGy H 1 2.039 0.003 A 82 PRO HGx H 1 1.951 0.004 A 82 PRO C C 13 176.034 . A 82 PRO CA C 13 62.710 0.038 A 82 PRO CB C 13 32.352 0.015 A 82 PRO CD C 13 51.159 0.032 A 82 PRO CG C 13 27.574 0.031 A 83 LYS H H 1 8.308 . A 83 LYS HA H 1 4.548 0.005 A 83 LYS HBx H 1 1.678 0.005 A 83 LYS HBy H 1 1.794 0.003 A 83 LYS HD2 H 1 1.639 . A 83 LYS HD3 H 1 1.639 . A 83 LYS HEx H 1 2.993 0.002 A 83 LYS HEy H 1 2.993 0.002 A 83 LYS HGx H 1 1.474 0.002 A 83 LYS HGy H 1 1.548 0.002 A 83 LYS CA C 13 53.856 0.052 A 83 LYS CB C 13 32.330 0.013 A 83 LYS CE C 13 41.991 . A 83 LYS CG C 13 24.869 0.019 A 83 LYS N N 15 121.719 . A 84 PRO HA H 1 4.296 0.003 A 84 PRO HBy H 1 2.208 0.004 A 84 PRO HBx H 1 1.789 0.007 A 84 PRO HDy H 1 3.752 0.003 A 84 PRO HDx H 1 3.616 0.004 A 84 PRO HG2 H 1 1.906 0.004 A 84 PRO HG3 H 1 1.906 0.004 A 84 PRO C C 13 176.773 . A 84 PRO CA C 13 62.556 0.023 A 84 PRO CB C 13 32.618 0.052 A 84 PRO CD C 13 50.502 0.038 A 84 PRO CG C 13 27.277 0.025 A 85 GLN H H 1 8.464 . A 85 GLN HA H 1 4.141 0.002 A 85 GLN HBx H 1 1.838 0.002 A 85 GLN HBy H 1 1.936 0.002 A 85 GLN HE21 H 1 6.999 . A 85 GLN HE22 H 1 7.610 . A 85 GLN HGy H 1 2.360 0.001 A 85 GLN HGx H 1 2.202 0.001 A 85 GLN C C 13 174.940 . A 85 GLN CA C 13 56.062 0.026 A 85 GLN CB C 13 29.730 0.039 A 85 GLN CG C 13 34.097 0.012 A 85 GLN N N 15 121.395 . A 85 GLN NE2 N 15 112.636 . A 86 ARG H H 1 8.248 . A 86 ARG HA H 1 5.127 0.003 A 86 ARG HBy H 1 1.661 0.004 A 86 ARG HBx H 1 1.335 0.007 A 86 ARG HDy H 1 2.979 0.015 A 86 ARG HDx H 1 2.960 0.012 A 86 ARG HGy H 1 1.601 0.006 A 86 ARG HGx H 1 1.359 0.005 A 86 ARG C C 13 175.052 . A 86 ARG CA C 13 54.534 0.023 A 86 ARG CB C 13 33.333 0.037 A 86 ARG CD C 13 43.648 0.047 A 86 ARG CG C 13 27.326 0.023 A 86 ARG N N 15 121.035 . A 87 HIS H H 1 8.659 . A 87 HIS HA H 1 4.682 0.005 A 87 HIS HBy H 1 3.256 0.01 A 87 HIS HBx H 1 2.703 0.006 A 87 HIS HD2 H 1 6.697 0.007 A 87 HIS C C 13 173.558 . A 87 HIS CA C 13 54.192 0.019 A 87 HIS CB C 13 33.054 0.004 A 87 HIS CD2 C 13 118.420 0.023 A 87 HIS N N 15 120.780 . A 88 MET H H 1 8.710 . A 88 MET HA H 1 5.283 0.004 A 88 MET HBy H 1 1.986 0.005 A 88 MET HBx H 1 1.558 0.004 A 88 MET HE% H 1 1.974 0.004 A 88 MET HGx H 1 2.349 0.006 A 88 MET HGy H 1 2.412 0.007 A 88 MET C C 13 173.297 . A 88 MET CA C 13 54.835 0.011 A 88 MET CB C 13 35.794 0.048 A 88 MET CE C 13 17.724 0.029 A 88 MET CG C 13 32.482 0.03 A 88 MET N N 15 126.780 . A 89 PHE H H 1 8.969 . A 89 PHE HA H 1 5.195 0.005 A 89 PHE HBy H 1 2.646 0.006 A 89 PHE HBx H 1 2.573 0.008 A 89 PHE HDx H 1 6.817 0.003 A 89 PHE HDy H 1 6.817 0.003 A 89 PHE HEx H 1 6.595 0.006 A 89 PHE HEy H 1 6.595 0.006 A 89 PHE HZ H 1 6.165 0.007 A 89 PHE C C 13 174.410 . A 89 PHE CA C 13 56.379 0.035 A 89 PHE CB C 13 44.189 0.029 A 89 PHE CDx C 13 131.495 0.005 A 89 PHE CDy C 13 131.495 0.005 A 89 PHE CEx C 13 127.896 0.0 A 89 PHE CEy C 13 127.896 0.0 A 89 PHE CZ C 13 117.693 . A 89 PHE N N 15 122.543 . A 90 SER H H 1 8.657 . A 90 SER HA H 1 5.696 0.004 A 90 SER HBy H 1 3.834 0.003 A 90 SER HBx H 1 3.724 0.005 A 90 SER C C 13 173.030 . A 90 SER CA C 13 56.771 0.033 A 90 SER CB C 13 64.961 0.044 A 90 SER N N 15 116.192 . A 91 PHE H H 1 9.001 . A 91 PHE HA H 1 4.887 0.004 A 91 PHE HBy H 1 3.322 0.005 A 91 PHE HBx H 1 2.828 0.004 A 91 PHE HDx H 1 7.487 0.005 A 91 PHE HDy H 1 7.487 0.005 A 91 PHE HEx H 1 7.101 0.006 A 91 PHE HEy H 1 7.101 0.006 A 91 PHE HZ H 1 6.811 0.005 A 91 PHE C C 13 174.442 . A 91 PHE CA C 13 57.425 0.01 A 91 PHE CB C 13 43.392 0.014 A 91 PHE CDx C 13 132.850 0.004 A 91 PHE CDy C 13 132.850 0.004 A 91 PHE CEx C 13 130.994 0.026 A 91 PHE CEy C 13 130.994 0.026 A 91 PHE CZ C 13 127.491 0.041 A 91 PHE N N 15 120.710 . A 92 ASN H H 1 9.093 . A 92 ASN HA H 1 5.107 0.0 A 92 ASN HBy H 1 2.914 0.006 A 92 ASN HBx H 1 2.913 0.006 A 92 ASN HD21 H 1 6.792 . A 92 ASN HD22 H 1 7.592 . A 92 ASN C C 13 174.835 . A 92 ASN CA C 13 52.251 0.001 A 92 ASN CB C 13 39.889 0.021 A 92 ASN N N 15 115.967 . A 92 ASN ND2 N 15 111.267 . A 93 ASN H H 1 7.252 . A 93 ASN HA H 1 4.922 0.001 A 93 ASN HBy H 1 2.909 0.006 A 93 ASN HBx H 1 2.845 0.003 A 93 ASN HD21 H 1 7.893 . A 93 ASN HD22 H 1 7.192 . A 93 ASN C C 13 174.524 . A 93 ASN CA C 13 53.013 0.007 A 93 ASN CB C 13 41.761 0.005 A 93 ASN N N 15 118.401 . A 93 ASN ND2 N 15 113.937 . A 94 ARG H H 1 9.309 . A 94 ARG HA H 1 3.865 0.006 A 94 ARG HBy H 1 2.033 0.004 A 94 ARG HBx H 1 1.817 0.006 A 94 ARG HDx H 1 3.113 0.004 A 94 ARG HDy H 1 3.392 0.003 A 94 ARG HE H 1 7.367 . A 94 ARG HGy H 1 1.784 0.005 A 94 ARG HGx H 1 1.650 0.004 A 94 ARG C C 13 176.797 . A 94 ARG CA C 13 59.483 0.077 A 94 ARG CB C 13 30.129 0.008 A 94 ARG CD C 13 42.569 0.015 A 94 ARG CG C 13 26.754 0.039 A 94 ARG N N 15 129.175 . A 94 ARG NE N 15 83.196 . A 95 THR H H 1 7.973 . A 95 THR HA H 1 4.021 0.002 A 95 THR HB H 1 4.345 0.001 A 95 THR HG2% H 1 1.290 0.002 A 95 THR C C 13 176.735 . A 95 THR CA C 13 66.430 0.028 A 95 THR CB C 13 68.357 0.012 A 95 THR CG2 C 13 21.984 0.087 A 95 THR N N 15 115.594 . A 96 VAL H H 1 7.565 . A 96 VAL HA H 1 3.783 0.004 A 96 VAL HB H 1 2.403 0.003 A 96 VAL HGx% H 1 1.284 0.003 A 96 VAL HGy% H 1 1.236 0.002 A 96 VAL C C 13 177.561 . A 96 VAL CA C 13 66.125 0.008 A 96 VAL CB C 13 32.201 0.041 A 96 VAL CGy C 13 22.314 0.039 A 96 VAL CGx C 13 21.461 0.018 A 96 VAL N N 15 121.833 . A 97 MET H H 1 7.336 . A 97 MET HA H 1 4.551 . A 97 MET HBy H 1 2.296 . A 97 MET HBx H 1 1.976 0.002 A 97 MET HE% H 1 2.069 0.003 A 97 MET HGy H 1 2.320 . A 97 MET HGx H 1 1.920 . A 97 MET C C 13 177.257 . A 97 MET CA C 13 59.753 . A 97 MET CB C 13 32.515 . A 97 MET CE C 13 17.700 0.038 A 97 MET N N 15 117.429 . A 98 ASP H H 1 8.712 . A 98 ASP HA H 1 4.315 0.007 A 98 ASP HBy H 1 2.755 0.006 A 98 ASP HBx H 1 2.591 0.005 A 98 ASP C C 13 178.771 . A 98 ASP CA C 13 57.604 0.051 A 98 ASP CB C 13 39.664 0.065 A 98 ASP N N 15 118.159 . A 99 ASN H H 1 8.084 . A 99 ASN HA H 1 4.480 0.005 A 99 ASN HBx H 1 2.859 0.006 A 99 ASN HBy H 1 3.059 0.003 A 99 ASN HD21 H 1 7.430 . A 99 ASN HD22 H 1 6.949 . A 99 ASN C C 13 178.232 . A 99 ASN CA C 13 56.300 0.029 A 99 ASN CB C 13 38.448 0.05 A 99 ASN N N 15 120.354 . A 99 ASN ND2 N 15 111.554 . A 100 ILE H H 1 8.017 . A 100 ILE HA H 1 3.637 0.003 A 100 ILE HB H 1 1.946 0.004 A 100 ILE HD1% H 1 0.540 0.004 A 100 ILE HG1y H 1 1.665 0.006 A 100 ILE HG1x H 1 1.291 0.002 A 100 ILE HG2% H 1 0.734 0.005 A 100 ILE C C 13 177.463 . A 100 ILE CA C 13 62.773 0.01 A 100 ILE CB C 13 35.467 0.031 A 100 ILE CD1 C 13 9.304 0.025 A 100 ILE CG1 C 13 28.212 0.048 A 100 ILE CG2 C 13 17.395 0.021 A 100 ILE N N 15 120.990 . A 101 LYS H H 1 8.944 . A 101 LYS HA H 1 3.635 0.004 A 101 LYS HBx H 1 1.913 0.006 A 101 LYS HBy H 1 2.148 0.001 A 101 LYS HDy H 1 1.767 0.005 A 101 LYS HDx H 1 1.539 0.004 A 101 LYS HEy H 1 2.908 0.004 A 101 LYS HEx H 1 2.856 0.012 A 101 LYS HGx H 1 0.773 . A 101 LYS HGy H 1 0.887 . A 101 LYS C C 13 177.365 . A 101 LYS CA C 13 60.636 0.038 A 101 LYS CB C 13 32.991 . A 101 LYS CD C 13 29.259 0.052 A 101 LYS CE C 13 41.026 0.035 A 101 LYS CG C 13 19.142 . A 101 LYS N N 15 120.814 . A 102 MET H H 1 8.123 . A 102 MET HA H 1 4.209 0.004 A 102 MET HBy H 1 2.260 0.006 A 102 MET HBx H 1 2.159 0.003 A 102 MET HE% H 1 2.095 0.004 A 102 MET HGy H 1 2.739 0.003 A 102 MET HGx H 1 2.645 0.004 A 102 MET C C 13 178.925 . A 102 MET CA C 13 58.720 0.032 A 102 MET CB C 13 32.299 0.057 A 102 MET CE C 13 16.904 0.024 A 102 MET CG C 13 32.150 0.03 A 102 MET N N 15 116.514 . A 103 THR H H 1 7.768 . A 103 THR HA H 1 3.882 0.004 A 103 THR HB H 1 3.975 0.005 A 103 THR HG2% H 1 0.818 0.003 A 103 THR C C 13 176.474 . A 103 THR CA C 13 66.489 0.041 A 103 THR CB C 13 67.864 0.025 A 103 THR CG2 C 13 22.262 0.039 A 103 THR N N 15 118.583 . A 104 LEU H H 1 8.537 . A 104 LEU HA H 1 3.882 0.004 A 104 LEU HB2 H 1 1.661 0.001 A 104 LEU HB3 H 1 1.661 0.001 A 104 LEU HDx% H 1 0.774 0.012 A 104 LEU HDy% H 1 0.828 0.005 A 104 LEU HG H 1 1.930 0.008 A 104 LEU C C 13 177.935 . A 104 LEU CA C 13 57.976 0.028 A 104 LEU CB C 13 42.322 . A 104 LEU CDx C 13 24.658 0.03 A 104 LEU CDy C 13 27.055 0.026 A 104 LEU CG C 13 26.621 0.036 A 104 LEU N N 15 119.575 . A 105 GLN H H 1 8.736 . A 105 GLN HA H 1 3.709 0.004 A 105 GLN HBy H 1 2.390 0.009 A 105 GLN HBx H 1 1.919 0.004 A 105 GLN HE21 H 1 6.787 . A 105 GLN HE22 H 1 7.869 . A 105 GLN HGy H 1 2.420 0.005 A 105 GLN HGx H 1 2.197 0.004 A 105 GLN C C 13 178.507 . A 105 GLN CA C 13 59.740 0.042 A 105 GLN CB C 13 28.639 0.059 A 105 GLN CG C 13 33.421 0.046 A 105 GLN N N 15 119.463 . A 105 GLN NE2 N 15 111.303 . A 106 GLN H H 1 7.689 . A 106 GLN HA H 1 3.976 0.003 A 106 GLN HBy H 1 2.320 0.002 A 106 GLN HBx H 1 2.172 0.001 A 106 GLN HE21 H 1 7.370 . A 106 GLN HE22 H 1 6.820 . A 106 GLN HGx H 1 2.402 0.002 A 106 GLN HGy H 1 2.603 0.002 A 106 GLN C C 13 178.454 . A 106 GLN CA C 13 59.018 0.022 A 106 GLN CB C 13 28.452 0.016 A 106 GLN CG C 13 33.901 0.021 A 106 GLN N N 15 118.984 . A 106 GLN NE2 N 15 111.272 . A 107 ILE H H 1 7.910 . A 107 ILE HA H 1 3.463 0.003 A 107 ILE HB H 1 1.603 0.004 A 107 ILE HD1% H 1 0.628 0.003 A 107 ILE HG1y H 1 1.906 0.005 A 107 ILE HG1x H 1 0.892 0.002 A 107 ILE HG2% H 1 0.787 0.003 A 107 ILE C C 13 177.492 . A 107 ILE CA C 13 65.442 0.034 A 107 ILE CB C 13 39.495 0.035 A 107 ILE CD1 C 13 15.857 0.012 A 107 ILE CG1 C 13 28.816 0.007 A 107 ILE CG2 C 13 18.758 0.028 A 107 ILE N N 15 119.928 . A 108 ILE H H 1 8.767 . A 108 ILE HA H 1 3.759 0.004 A 108 ILE HB H 1 1.804 0.005 A 108 ILE HD1% H 1 0.833 0.004 A 108 ILE HG1x H 1 1.231 0.013 A 108 ILE HG1y H 1 1.800 0.003 A 108 ILE HG2% H 1 0.965 0.003 A 108 ILE C C 13 178.625 . A 108 ILE CA C 13 65.579 0.069 A 108 ILE CB C 13 38.252 0.013 A 108 ILE CD1 C 13 15.461 0.03 A 108 ILE CG1 C 13 29.974 0.032 A 108 ILE CG2 C 13 17.294 0.04 A 108 ILE N N 15 117.958 . A 109 SER H H 1 7.797 . A 109 SER HA H 1 4.271 0.008 A 109 SER HBx H 1 3.893 0.006 A 109 SER HBy H 1 3.973 0.005 A 109 SER C C 13 175.966 . A 109 SER CA C 13 62.205 0.038 A 109 SER CB C 13 63.094 0.04 A 109 SER N N 15 113.450 . A 110 ARG H H 1 7.450 . A 110 ARG HA H 1 4.119 0.003 A 110 ARG HBx H 1 1.751 0.002 A 110 ARG HBy H 1 1.751 0.002 A 110 ARG HDy H 1 3.155 0.004 A 110 ARG HDx H 1 3.046 0.003 A 110 ARG HE H 1 7.076 . A 110 ARG HGy H 1 1.708 0.002 A 110 ARG HGx H 1 1.537 0.002 A 110 ARG C C 13 179.056 . A 110 ARG CA C 13 58.820 0.032 A 110 ARG CB C 13 29.799 0.042 A 110 ARG CD C 13 43.852 0.016 A 110 ARG CG C 13 27.276 0.02 A 110 ARG N N 15 120.739 . A 110 ARG NE N 15 84.757 . A 111 TYR H H 1 7.558 . A 111 TYR HA H 1 4.706 0.002 A 111 TYR HBy H 1 3.377 0.007 A 111 TYR HBx H 1 3.129 0.007 A 111 TYR HDx H 1 7.093 0.005 A 111 TYR HDy H 1 7.093 0.005 A 111 TYR HEx H 1 6.712 0.005 A 111 TYR HEy H 1 6.712 0.005 A 111 TYR C C 13 177.853 . A 111 TYR CA C 13 58.613 0.026 A 111 TYR CB C 13 37.308 0.038 A 111 TYR CDx C 13 132.218 0.0 A 111 TYR CDy C 13 132.218 0.0 A 111 TYR CEx C 13 117.885 0.036 A 111 TYR CEy C 13 117.885 0.036 A 111 TYR N N 15 117.972 . A 112 LYS H H 1 8.080 . A 112 LYS HA H 1 4.381 0.002 A 112 LYS HBy H 1 2.026 0.002 A 112 LYS HBx H 1 1.971 0.003 A 112 LYS HDy H 1 1.785 0.004 A 112 LYS HDx H 1 1.680 0.001 A 112 LYS HEy H 1 3.080 0.003 A 112 LYS HEx H 1 3.010 0.018 A 112 LYS HGy H 1 1.748 0.005 A 112 LYS HGx H 1 1.622 0.004 A 112 LYS C C 13 177.893 . A 112 LYS CA C 13 57.589 0.033 A 112 LYS CB C 13 32.603 0.011 A 112 LYS CD C 13 28.922 0.05 A 112 LYS CE C 13 42.110 0.073 A 112 LYS CG C 13 25.121 0.027 A 112 LYS N N 15 120.615 . A 113 ASP H H 1 8.191 . A 113 ASP HA H 1 4.644 0.002 A 113 ASP HBx H 1 2.810 0.005 A 113 ASP HBy H 1 2.810 0.005 A 113 ASP C C 13 176.950 . A 113 ASP CA C 13 55.263 . A 113 ASP CB C 13 40.891 0.028 A 113 ASP N N 15 120.325 . A 114 ALA H H 1 7.900 . A 114 ALA HA H 1 4.348 0.005 A 114 ALA HB% H 1 1.507 0.003 A 114 ALA C C 13 178.055 . A 114 ALA CA C 13 53.174 0.053 A 114 ALA CB C 13 19.100 0.028 A 114 ALA N N 15 122.906 . A 115 ASP H H 1 8.119 . A 115 ASP HA H 1 4.651 0.003 A 115 ASP HBy H 1 2.810 0.002 A 115 ASP HBx H 1 2.761 0.002 A 115 ASP C C 13 177.090 . A 115 ASP CA C 13 54.948 0.043 A 115 ASP CB C 13 41.469 . A 115 ASP N N 15 118.919 . A 116 GLY H H 1 8.217 . A 116 GLY HA2 H 1 4.003 0.001 A 116 GLY HA3 H 1 4.003 0.001 A 116 GLY C C 13 174.366 . A 116 GLY CA C 13 45.802 . A 116 GLY N N 15 108.816 . A 117 ASN H H 1 8.317 . A 117 ASN HA H 1 4.852 0.001 A 117 ASN HBx H 1 2.822 0.002 A 117 ASN HBy H 1 2.900 0.003 A 117 ASN HD21 H 1 7.663 . A 117 ASN HD22 H 1 6.941 . A 117 ASN C C 13 175.359 . A 117 ASN CA C 13 53.229 0.022 A 117 ASN CB C 13 39.193 0.012 A 117 ASN N N 15 118.871 . A 117 ASN ND2 N 15 113.528 . A 118 SER H H 1 8.329 . A 118 SER HA H 1 4.557 0.003 A 118 SER HBx H 1 3.931 0.005 A 118 SER HBy H 1 3.931 0.005 A 118 SER C C 13 173.789 . A 118 SER CA C 13 58.410 0.013 A 118 SER CB C 13 63.939 0.001 A 118 SER N N 15 116.555 . A 119 SER H H 1 8.016 . A 119 SER HA H 1 4.306 0.002 A 119 SER HBx H 1 3.875 0.002 A 119 SER HBy H 1 3.875 0.002 A 119 SER CA C 13 60.007 0.019 A 119 SER CB C 13 64.719 0.043 A 119 SER N N 15 123.353 . B 643 ILE C C 13 176.117 . B 643 ILE CA C 13 61.194 . B 643 ILE CB C 13 38.518 . B 644 LEU H H 1 8.243 . B 644 LEU HA H 1 4.372 . B 644 LEU HB2 H 1 1.685 . B 644 LEU HB3 H 1 1.685 . B 644 LEU HD1% H 1 0.967 . B 644 LEU HD2% H 1 0.967 . B 644 LEU HG H 1 1.685 . B 644 LEU C C 13 176.764 . B 644 LEU CA C 13 55.212 . B 644 LEU CB C 13 42.369 . B 644 LEU CDy C 13 24.882 . B 644 LEU CDx C 13 23.922 . B 644 LEU CG C 13 27.089 . B 644 LEU N N 15 126.349 . B 645 GLU H H 1 8.640 . B 645 GLU HA H 1 4.314 . B 645 GLU HBx H 1 2.007 . B 645 GLU HBy H 1 2.112 . B 645 GLU HG2 H 1 2.338 . B 645 GLU HG3 H 1 2.338 . B 645 GLU C C 13 176.413 . B 645 GLU CA C 13 56.974 . B 645 GLU CB C 13 30.123 . B 645 GLU CG C 13 36.330 . B 645 GLU N N 15 123.191 . B 646 ARG H H 1 8.307 . B 646 ARG HA H 1 4.372 . B 646 ARG HBx H 1 1.825 . B 646 ARG HBy H 1 1.915 . B 646 ARG HD2 H 1 3.254 . B 646 ARG HD3 H 1 3.254 . B 646 ARG HE H 1 7.272 . B 646 ARG HG2 H 1 1.685 . B 646 ARG HG3 H 1 1.685 . B 646 ARG C C 13 176.494 . B 646 ARG CA C 13 56.161 . B 646 ARG CB C 13 30.988 . B 646 ARG CD C 13 43.331 . B 646 ARG CG C 13 27.089 . B 646 ARG N N 15 121.703 . B 646 ARG NE N 15 124.512 . B 647 GLU H H 1 8.553 . B 647 GLU HA H 1 4.314 . B 647 GLU HBx H 1 2.007 . B 647 GLU HBy H 1 2.112 . B 647 GLU HG2 H 1 2.338 . B 647 GLU HG3 H 1 2.338 . B 647 GLU C C 13 176.799 . B 647 GLU CA C 13 56.974 . B 647 GLU CB C 13 30.123 . B 647 GLU CG C 13 36.330 . B 647 GLU N N 15 122.357 . B 648 SER H H 1 8.326 . B 648 SER HA H 1 4.444 . B 648 SER HB2 H 1 3.924 . B 648 SER HB3 H 1 3.924 . B 648 SER C C 13 174.720 . B 648 SER CA C 13 58.679 . B 648 SER CB C 13 63.770 . B 648 SER N N 15 116.353 . B 649 GLU H H 1 8.430 . B 649 GLU HA H 1 4.314 . B 649 GLU CA C 13 56.974 . B 649 GLU CB C 13 30.196 . B 649 GLU N N 15 122.770 . B 650 LYS C C 13 176.683 . B 650 LYS CA C 13 56.443 . B 650 LYS CB C 13 33.225 . B 650 LYS CD C 13 29.147 . B 650 LYS CE C 13 42.170 . B 650 LYS CG C 13 24.739 . B 651 GLU H H 1 8.459 . B 651 GLU C C 13 176.624 . B 651 GLU CA C 13 56.722 . B 651 GLU CB C 13 30.229 . B 651 GLU CG C 13 36.243 . B 651 GLU N N 15 122.132 . B 652 SER H H 1 8.371 . B 652 SER C C 13 174.620 . B 652 SER CA C 13 58.265 . B 652 SER CB C 13 63.885 . B 652 SER N N 15 117.099 . B 653 SER H H 1 8.409 . B 653 SER C C 13 174.407 . B 653 SER CA C 13 58.293 . B 653 SER CB C 13 63.846 . B 653 SER N N 15 117.859 . B 654 ASN H H 1 8.496 . B 654 ASN HD21 H 1 6.921 . B 654 ASN HD22 H 1 7.640 . B 654 ASN CA C 13 53.414 . B 654 ASN CB C 13 39.171 . B 654 ASN N N 15 120.907 . B 654 ASN ND2 N 15 113.243 . B 656 GLU C C 13 176.309 . B 656 GLU CA C 13 56.864 . B 656 GLU CB C 13 30.300 . B 657 ASN H H 1 8.454 . B 657 ASN HD21 H 1 6.936 . B 657 ASN HD22 H 1 7.639 . B 657 ASN CA C 13 53.394 . B 657 ASN CB C 13 38.994 . B 657 ASN N N 15 119.502 . B 657 ASN ND2 N 15 112.704 . B 660 ASP C C 13 176.172 . B 660 ASP CA C 13 54.605 . B 660 ASP CB C 13 41.226 . B 661 ASP H H 1 8.259 . B 661 ASP HA H 1 4.567 0.004 B 661 ASP HBy H 1 2.742 0.001 B 661 ASP HBx H 1 2.659 0.005 B 661 ASP C C 13 176.486 . B 661 ASP CA C 13 54.452 0.031 B 661 ASP CB C 13 40.864 0.037 B 661 ASP N N 15 120.495 . B 662 LEU H H 1 8.038 . B 662 LEU HA H 1 4.231 0.004 B 662 LEU HBy H 1 1.707 0.007 B 662 LEU HBx H 1 1.601 0.006 B 662 LEU HDx% H 1 0.929 0.001 B 662 LEU HDy% H 1 0.864 0.002 B 662 LEU HG H 1 1.652 0.007 B 662 LEU C C 13 177.967 . B 662 LEU CA C 13 55.826 0.031 B 662 LEU CB C 13 42.173 0.039 B 662 LEU CDy C 13 24.942 0.051 B 662 LEU CDx C 13 23.681 0.078 B 662 LEU CG C 13 27.126 0.023 B 662 LEU N N 15 121.642 . B 663 GLU H H 1 8.294 . B 663 GLU HA H 1 4.202 0.003 B 663 GLU HBy H 1 2.061 0.002 B 663 GLU HBx H 1 2.003 0.001 B 663 GLU HGx H 1 2.226 0.007 B 663 GLU HGy H 1 2.290 0.034 B 663 GLU C C 13 176.916 . B 663 GLU CA C 13 57.278 0.055 B 663 GLU CB C 13 29.760 0.015 B 663 GLU CG C 13 35.909 . B 663 GLU N N 15 120.920 . B 664 VAL H H 1 7.954 . B 664 VAL HA H 1 4.037 0.002 B 664 VAL HB H 1 2.111 0.006 B 664 VAL HG1% H 1 0.964 0.006 B 664 VAL HG2% H 1 0.964 0.006 B 664 VAL C C 13 176.560 . B 664 VAL CA C 13 63.066 0.007 B 664 VAL CB C 13 32.388 0.003 B 664 VAL CGx C 13 21.229 0.043 B 664 VAL CGy C 13 21.241 0.045 B 664 VAL N N 15 120.421 . B 665 LEU H H 1 8.128 . B 665 LEU HA H 1 4.359 0.003 B 665 LEU HBy H 1 1.710 0.012 B 665 LEU HBx H 1 1.602 0.006 B 665 LEU HDx% H 1 0.863 0.002 B 665 LEU HDy% H 1 0.925 0.003 B 665 LEU HG H 1 1.653 0.001 B 665 LEU C C 13 177.484 . B 665 LEU CA C 13 55.274 0.009 B 665 LEU CB C 13 42.247 0.05 B 665 LEU CG C 13 27.142 . B 665 LEU N N 15 124.228 . B 666 SER H H 1 8.061 . B 666 SER HA H 1 4.411 0.003 B 666 SER HBx H 1 3.870 0.004 B 666 SER HBy H 1 3.950 0.003 B 666 SER C C 13 175.105 . B 666 SER CA C 13 58.661 0.021 B 666 SER CB C 13 63.545 0.024 B 666 SER N N 15 116.084 . B 667 GLU H H 1 8.373 . B 667 GLU HA H 1 4.279 0.008 B 667 GLU HBx H 1 2.068 0.014 B 667 GLU HBy H 1 2.172 0.009 B 667 GLU HG2 H 1 2.394 0.004 B 667 GLU HG3 H 1 2.394 0.004 B 667 GLU C C 13 177.515 . B 667 GLU CA C 13 57.815 0.133 B 667 GLU CB C 13 30.102 0.052 B 667 GLU CG C 13 36.120 . B 667 GLU N N 15 122.929 . B 668 GLU H H 1 8.380 . B 668 GLU HA H 1 4.282 0.003 B 668 GLU HBy H 1 2.084 0.003 B 668 GLU HBx H 1 1.987 0.006 B 668 GLU HG2 H 1 2.309 0.007 B 668 GLU HG3 H 1 2.309 0.007 B 668 GLU C C 13 176.343 . B 668 GLU CA C 13 57.058 . B 668 GLU CB C 13 29.675 0.0 B 668 GLU CG C 13 36.359 0.05 B 668 GLU N N 15 118.383 . B 669 LEU H H 1 7.725 . B 669 LEU HA H 1 4.213 0.003 B 669 LEU HBx H 1 1.320 0.004 B 669 LEU HBy H 1 1.495 0.002 B 669 LEU HDx% H 1 0.806 0.003 B 669 LEU HDy% H 1 0.878 0.004 B 669 LEU HG H 1 1.487 0.005 B 669 LEU C C 13 175.886 . B 669 LEU CA C 13 55.396 0.006 B 669 LEU CB C 13 42.972 0.02 B 669 LEU CDy C 13 24.928 0.033 B 669 LEU CDx C 13 23.867 0.029 B 669 LEU CG C 13 27.133 0.03 B 669 LEU N N 15 120.695 . B 670 PHE H H 1 7.484 . B 670 PHE HA H 1 4.310 0.006 B 670 PHE HBx H 1 2.746 0.01 B 670 PHE HBy H 1 2.746 0.01 B 670 PHE HDx H 1 7.029 0.009 B 670 PHE HDy H 1 7.029 0.009 B 670 PHE HEx H 1 7.225 0.008 B 670 PHE HEy H 1 7.225 0.008 B 670 PHE C C 13 175.312 . B 670 PHE CA C 13 58.760 0.072 B 670 PHE CB C 13 41.836 0.0 B 670 PHE CDx C 13 130.578 0.056 B 670 PHE CDy C 13 130.578 0.056 B 670 PHE CEx C 13 128.135 0.025 B 670 PHE CEy C 13 128.135 0.025 B 670 PHE N N 15 115.047 . B 671 GLU H H 1 8.878 . B 671 GLU HA H 1 4.775 0.004 B 671 GLU HBx H 1 2.105 0.009 B 671 GLU HBy H 1 2.105 0.009 B 671 GLU HGy H 1 2.370 0.009 B 671 GLU HGx H 1 2.275 0.006 B 671 GLU C C 13 175.971 . B 671 GLU CA C 13 53.871 0.065 B 671 GLU CB C 13 32.501 0.031 B 671 GLU CG C 13 35.591 0.158 B 671 GLU N N 15 120.366 . B 672 ASP H H 1 8.871 . B 672 ASP HA H 1 4.754 0.006 B 672 ASP HBy H 1 2.663 0.006 B 672 ASP HBx H 1 2.575 0.006 B 672 ASP C C 13 176.406 . B 672 ASP CA C 13 55.638 0.06 B 672 ASP CB C 13 40.843 . B 672 ASP N N 15 123.391 . B 673 VAL H H 1 8.935 . B 673 VAL HA H 1 4.485 0.004 B 673 VAL HB H 1 2.000 0.009 B 673 VAL HGx% H 1 0.942 0.008 B 673 VAL HGy% H 1 0.956 0.004 B 673 VAL CA C 13 59.320 0.031 B 673 VAL CB C 13 32.378 0.049 B 673 VAL CGx C 13 21.142 0.068 B 673 VAL CGy C 13 21.803 0.034 B 673 VAL N N 15 126.842 . B 674 PRO HA H 1 4.549 0.003 B 674 PRO HBx H 1 1.998 0.026 B 674 PRO HBy H 1 2.395 0.006 B 674 PRO HDy H 1 3.996 0.007 B 674 PRO HDx H 1 3.741 0.008 B 674 PRO HGx H 1 2.088 0.022 B 674 PRO HGy H 1 2.094 0.007 B 674 PRO C C 13 177.603 . B 674 PRO CA C 13 63.686 0.011 B 674 PRO CB C 13 32.384 0.11 B 674 PRO CD C 13 51.057 0.036 B 674 PRO CG C 13 27.652 0.048 B 675 THR H H 1 8.597 . B 675 THR HA H 1 4.514 0.003 B 675 THR HB H 1 4.370 0.007 B 675 THR HG2% H 1 1.318 0.003 B 675 THR C C 13 174.005 . B 675 THR CA C 13 60.400 0.023 B 675 THR CB C 13 69.627 0.044 B 675 THR CG2 C 13 22.067 0.034 B 675 THR N N 15 113.786 . B 676 LYS H H 1 7.764 . B 676 LYS HA H 1 4.515 0.003 B 676 LYS HBx H 1 1.782 0.002 B 676 LYS HBy H 1 1.907 0.005 B 676 LYS HDx H 1 1.748 0.019 B 676 LYS HDy H 1 1.748 0.019 B 676 LYS HE2 H 1 3.039 0.002 B 676 LYS HE3 H 1 3.039 0.002 B 676 LYS HGx H 1 1.481 0.009 B 676 LYS HGy H 1 1.481 0.009 B 676 LYS C C 13 176.248 . B 676 LYS CA C 13 55.748 0.035 B 676 LYS CB C 13 34.059 0.026 B 676 LYS CD C 13 29.064 0.074 B 676 LYS CE C 13 42.092 0.016 B 676 LYS CG C 13 24.631 0.061 B 676 LYS N N 15 120.766 . B 677 SER H H 1 8.710 . B 677 SER HA H 1 4.450 0.004 B 677 SER HB2 H 1 3.902 0.003 B 677 SER HB3 H 1 3.902 0.003 B 677 SER C C 13 174.708 . B 677 SER CA C 13 58.660 0.0 B 677 SER CB C 13 63.731 0.058 B 677 SER N N 15 118.796 . B 678 GLN H H 1 8.601 . B 678 GLN HA H 1 4.421 0.005 B 678 GLN HBx H 1 2.034 0.006 B 678 GLN HBy H 1 2.171 0.006 B 678 GLN HE21 H 1 7.561 . B 678 GLN HE22 H 1 6.898 . B 678 GLN HG2 H 1 2.402 0.006 B 678 GLN HG3 H 1 2.402 0.006 B 678 GLN C C 13 175.947 . B 678 GLN CA C 13 55.870 0.114 B 678 GLN CB C 13 29.516 0.076 B 678 GLN CG C 13 33.868 0.044 B 678 GLN N N 15 122.846 . B 678 GLN NE2 N 15 112.531 . B 679 ILE H H 1 8.166 . B 679 ILE HA H 1 4.184 0.009 B 679 ILE HB H 1 1.902 0.0 B 679 ILE HD1% H 1 0.907 0.002 B 679 ILE HG1y H 1 1.518 0.005 B 679 ILE HG1x H 1 1.241 0.006 B 679 ILE HG2% H 1 0.939 0.01 B 679 ILE C C 13 176.314 . B 679 ILE CA C 13 61.222 . B 679 ILE CB C 13 38.650 0.019 B 679 ILE CD1 C 13 12.993 0.057 B 679 ILE CG1 C 13 27.325 0.015 B 679 ILE CG2 C 13 17.562 . B 679 ILE N N 15 121.772 . B 680 SER H H 1 8.374 . B 680 SER HA H 1 4.523 0.0 B 680 SER HBx H 1 3.918 . B 680 SER HBy H 1 3.918 . B 680 SER C C 13 174.575 . B 680 SER CA C 13 58.201 0.0 B 680 SER CB C 13 63.773 . B 680 SER N N 15 120.193 . B 681 LYS H H 1 8.420 . B 681 LYS HA H 1 4.359 0.0 B 681 LYS HBx H 1 1.812 0.0 B 681 LYS HBy H 1 1.896 0.0 B 681 LYS HD2 H 1 1.728 0.002 B 681 LYS HD3 H 1 1.728 0.002 B 681 LYS HEx H 1 3.038 0.001 B 681 LYS HEy H 1 3.038 0.002 B 681 LYS HGy H 1 1.480 0.003 B 681 LYS HGx H 1 1.479 0.003 B 681 LYS C C 13 176.743 . B 681 LYS CA C 13 56.571 0.0 B 681 LYS CB C 13 33.037 0.0 B 681 LYS CD C 13 28.975 0.013 B 681 LYS CE C 13 42.143 0.013 B 681 LYS CG C 13 24.701 0.0 B 681 LYS N N 15 124.077 . B 682 GLU H H 1 8.449 . B 682 GLU HA H 1 4.282 0.002 B 682 GLU HBy H 1 2.119 0.004 B 682 GLU HBx H 1 1.998 0.002 B 682 GLU HG2 H 1 2.338 0.001 B 682 GLU HG3 H 1 2.338 0.001 B 682 GLU C C 13 176.442 . B 682 GLU CA C 13 56.858 0.014 B 682 GLU CB C 13 30.059 0.013 B 682 GLU CG C 13 36.307 0.0 B 682 GLU N N 15 121.869 . B 683 ALA H H 1 8.244 . B 683 ALA HA H 1 4.336 . B 683 ALA HB% H 1 1.450 . B 683 ALA C C 13 177.889 . B 683 ALA CA C 13 52.680 . B 683 ALA CB C 13 19.346 . B 683 ALA N N 15 124.346 . B 684 GLU H H 1 8.313 . B 684 GLU HA H 1 4.387 . B 684 GLU HBy H 1 2.124 . B 684 GLU HBx H 1 2.004 . B 684 GLU HG2 H 1 2.337 . B 684 GLU HG3 H 1 2.337 . B 684 GLU C C 13 176.090 . B 684 GLU CA C 13 56.509 . B 684 GLU CB C 13 30.207 . B 684 GLU CG C 13 36.282 . B 684 GLU N N 15 120.022 . B 685 ASP H H 1 8.506 . B 685 ASP HA H 1 4.651 . B 685 ASP HBx H 1 2.684 . B 685 ASP HBy H 1 2.762 . B 685 ASP C C 13 176.312 . B 685 ASP CA C 13 54.347 . B 685 ASP CB C 13 41.143 . B 685 ASP N N 15 121.350 . B 686 ASN H H 1 8.370 . B 686 ASN HA H 1 4.662 . B 686 ASN HD21 H 1 7.640 . B 686 ASN HD22 H 1 6.960 . B 686 ASN CA C 13 53.954 . B 686 ASN CB C 13 39.218 . B 686 ASN N N 15 119.403 . B 686 ASN ND2 N 15 112.412 . B 687 ASP C C 13 176.631 . B 687 ASP CA C 13 54.842 . B 687 ASP CB C 13 41.166 . B 688 SER H H 1 8.196 . B 688 SER HA H 1 4.406 . B 688 SER HB2 H 1 3.938 . B 688 SER HB3 H 1 3.938 . B 688 SER C C 13 175.935 . B 688 SER CA C 13 58.689 . B 688 SER CB C 13 63.591 . B 688 SER N N 15 116.057 . B 689 ARG H H 1 8.116 . B 689 ARG HA H 1 4.317 . B 689 ARG HB2 H 1 1.798 . B 689 ARG HB3 H 1 1.798 . B 689 ARG HD2 H 1 3.192 . B 689 ARG HD3 H 1 3.192 . B 689 ARG HG2 H 1 1.588 . B 689 ARG HG3 H 1 1.588 . B 689 ARG C C 13 174.692 . B 689 ARG CA C 13 56.228 . B 689 ARG CB C 13 30.570 . B 689 ARG CD C 13 43.289 . B 689 ARG CG C 13 27.055 . B 689 ARG N N 15 122.433 . B 690 LYS H H 1 8.124 . B 690 LYS HA H 1 4.317 . B 690 LYS HBy H 1 1.811 . B 690 LYS HBx H 1 1.695 . B 690 LYS HD2 H 1 1.702 . B 690 LYS HD3 H 1 1.702 . B 690 LYS HE2 H 1 3.027 . B 690 LYS HE3 H 1 3.027 . B 690 LYS HG2 H 1 1.426 . B 690 LYS HG3 H 1 1.426 . B 690 LYS C C 13 176.363 . B 690 LYS CA C 13 56.203 . B 690 LYS CB C 13 33.021 . B 690 LYS CD C 13 29.046 . B 690 LYS CE C 13 42.471 . B 690 LYS CG C 13 24.521 . B 690 LYS N N 15 122.478 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin 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 2 SER H A 1 PRO HA 1.0 1.8 3.400 2 2 A 2 SER H A 1 PRO HBx 1.0 1.8 5.600 3 2 A 2 SER H A 1 PRO HBy 1.0 1.8 5.600 4 3 A 2 SER H A 1 PRO HGy 1.0 1.8 5.600 5 3 A 2 SER H A 1 PRO HGx 1.0 1.8 5.600 6 4 A 2 SER H A 2 SER HBx 1.0 1.8 3.808 7 4 A 2 SER H A 2 SER HBy 1.0 1.8 3.808 8 5 A 1 PRO HA A 4 SER H 1.0 1.8 5.000 9 6 A 4 SER H A 2 SER HA 1.0 1.8 5.000 10 7 A 2 SER H A 4 SER H 1.0 1.8 5.000 11 8 A 4 SER H A 3 HIS HA 1.0 1.8 3.400 12 9 A 4 SER H A 4 SER HBy 1.0 1.8 3.808 13 9 A 4 SER H A 4 SER HBx 1.0 1.8 3.808 14 10 A 4 SER H A 5 GLY H 1.0 1.8 5.000 15 11 A 4 SER H A 17 ALA HA 1.0 1.8 5.000 16 12 A 4 SER H A 18 ILE H 1.0 1.8 5.000 17 13 A 4 SER H A 100 ILE HD1% 1.0 1.8 4.080 18 14 A 5 GLY H A 4 SER HA 1.0 1.8 2.800 19 15 A 5 GLY H A 4 SER HBy 1.0 1.8 3.808 20 15 A 4 SER HBx A 5 GLY H 1.0 1.8 3.808 21 16 A 5 GLY H A 15 ILE HA 1.0 1.8 5.000 22 17 A 5 GLY H A 16 ILE HA 1.0 1.8 5.000 23 18 A 5 GLY H A 16 ILE HB 1.0 1.8 5.000 24 19 A 5 GLY H A 17 ALA HA 1.0 1.8 5.000 25 20 A 5 GLY H A 17 ALA HB% 1.0 1.8 5.600 26 21 A 5 GLY H A 96 VAL HGy% 1.0 1.8 5.600 27 21 A 5 GLY H A 96 VAL HGx% 1.0 1.8 5.600 28 22 A 5 GLY H A 100 ILE HD1% 1.0 1.8 6.000 29 23 A 6 ALA H A 5 GLY HAx 1.0 1.8 3.136 30 23 A 6 ALA H A 5 GLY HAy 1.0 1.8 3.136 31 24 A 5 GLY H A 6 ALA H 1.0 1.8 5.000 32 25 A 6 ALA H A 6 ALA HB% 1.0 1.8 3.136 33 26 A 15 ILE HA A 6 ALA H 1.0 1.8 5.000 34 27 A 6 ALA H A 16 ILE H 1.0 1.8 5.000 35 28 A 6 ALA H A 96 VAL HB 1.0 1.8 5.000 36 29 A 100 ILE HD1% A 6 ALA H 1.0 1.8 6.000 37 30 A 7 ALA H A 6 ALA HA 1.0 1.8 2.800 38 31 A 6 ALA H A 7 ALA H 1.0 1.8 5.000 39 32 A 7 ALA H A 7 ALA HB% 1.0 1.8 3.808 40 33 A 15 ILE HA A 7 ALA H 1.0 1.8 3.400 41 34 A 7 ALA H A 15 ILE HG1x 1.0 1.8 6.000 42 34 A 7 ALA H A 15 ILE HG1y 1.0 1.8 6.000 43 35 A 16 ILE HB A 7 ALA H 1.0 1.8 5.000 44 36 A 16 ILE H A 7 ALA H 1.0 1.8 5.000 45 37 A 7 ALA H A 29 TRP HD1 1.0 1.8 5.000 46 38 A 7 ALA H A 29 TRP HE1 1.0 1.8 5.000 47 39 A 8 ILE H A 7 ALA HA 1.0 1.8 3.400 48 40 A 8 ILE H A 8 ILE HB 1.0 1.8 3.400 49 41 A 8 ILE H A 8 ILE HD1% 1.0 1.8 4.080 50 42 A 8 ILE H A 8 ILE HG1y 1.0 1.8 4.080 51 42 A 8 ILE H A 8 ILE HG1x 1.0 1.8 4.080 52 43 A 8 ILE H A 8 ILE HG2% 1.0 1.8 6.000 53 44 A 8 ILE H A 90 SER HBy 1.0 1.8 5.600 54 44 A 8 ILE H A 90 SER HBx 1.0 1.8 5.600 55 45 A 8 ILE H A 91 PHE HA 1.0 1.8 5.000 56 46 A 8 ILE H A 91 PHE HE% 1.0 1.8 5.600 57 47 A 9 PHE H A 8 ILE HA 1.0 1.8 2.800 58 48 A 8 ILE HB A 9 PHE H 1.0 1.8 5.000 59 49 A 8 ILE HD1% A 9 PHE H 1.0 1.8 6.000 60 50 A 9 PHE H A 8 ILE HG1y 1.0 1.8 6.000 61 50 A 8 ILE HG1x A 9 PHE H 1.0 1.8 6.000 62 51 A 8 ILE HG2% A 9 PHE H 1.0 1.8 4.080 63 52 A 8 ILE H A 9 PHE H 1.0 1.8 5.000 64 53 A 9 PHE H A 9 PHE HBx 1.0 1.8 5.600 65 53 A 9 PHE H A 9 PHE HBy 1.0 1.8 5.600 66 54 A 9 PHE H A 9 PHE HD% 1.0 1.8 5.600 67 55 A 9 PHE H A 10 GLU H 1.0 1.8 5.000 68 56 A 9 PHE H A 12 VAL HB 1.0 1.8 5.000 69 57 A 9 PHE H A 12 VAL H 1.0 1.8 3.400 70 58 A 9 PHE H A 13 SER HA 1.0 1.8 5.000 71 59 A 9 PHE H A 14 GLY H 1.0 1.8 5.000 72 60 A 29 TRP HD1 A 9 PHE H 1.0 1.8 5.000 73 61 A 29 TRP HE1 A 9 PHE H 1.0 1.8 5.000 74 62 A 9 PHE H A 29 TRP HH2 1.0 1.8 5.000 75 63 A 9 PHE H A 29 TRP HZ2 1.0 1.8 3.400 76 64 A 9 PHE H A 89 PHE HD% 1.0 1.8 5.600 77 65 A 8 ILE HG2% A 10 GLU H 1.0 1.8 4.080 78 66 A 10 GLU H A 9 PHE HA 1.0 1.8 3.400 79 67 A 9 PHE HD% A 10 GLU H 1.0 1.8 3.808 80 68 A 10 GLU H A 10 GLU HBx 1.0 1.8 3.808 81 68 A 10 GLU H A 10 GLU HBy 1.0 1.8 3.808 82 69 A 10 GLU H A 10 GLU HGy 1.0 1.8 3.808 83 69 A 10 GLU H A 10 GLU HGx 1.0 1.8 3.808 84 70 A 10 GLU H A 11 LYS H 1.0 1.8 3.400 85 71 A 8 ILE HG2% A 11 LYS H 1.0 1.8 4.080 86 72 A 9 PHE HA A 11 LYS H 1.0 1.8 5.000 87 73 A 11 LYS H A 10 GLU HA 1.0 1.8 3.400 88 74 A 11 LYS H A 10 GLU HGy 1.0 1.8 5.600 89 74 A 10 GLU HGx A 11 LYS H 1.0 1.8 5.600 90 75 A 11 LYS H A 11 LYS HBx 1.0 1.8 5.600 91 75 A 11 LYS H A 11 LYS HBy 1.0 1.8 5.600 92 76 A 11 LYS H A 11 LYS HGx 1.0 1.8 3.808 93 76 A 11 LYS H A 11 LYS HGy 1.0 1.8 3.808 94 77 A 8 ILE HA A 12 VAL H 1.0 1.8 5.000 95 78 A 8 ILE HG2% A 12 VAL H 1.0 1.8 4.080 96 79 A 12 VAL H A 9 PHE HA 1.0 1.8 5.000 97 80 A 9 PHE HD% A 12 VAL H 1.0 1.8 5.600 98 81 A 12 VAL H A 10 GLU HA 1.0 1.8 5.000 99 82 A 12 VAL H A 10 GLU HBx 1.0 1.8 5.600 100 82 A 12 VAL H A 10 GLU HBy 1.0 1.8 5.600 101 83 A 10 GLU H A 12 VAL H 1.0 1.8 5.000 102 84 A 12 VAL H A 11 LYS HA 1.0 1.8 3.400 103 85 A 12 VAL H A 11 LYS HBx 1.0 1.8 5.600 104 85 A 12 VAL H A 11 LYS HBy 1.0 1.8 5.600 105 86 A 12 VAL HB A 12 VAL H 1.0 1.8 2.800 106 87 A 12 VAL H A 12 VAL HGy% 1.0 1.8 3.360 107 88 A 12 VAL H A 13 SER HA 1.0 1.8 5.000 108 89 A 12 VAL H A 13 SER H 1.0 1.8 5.000 109 90 A 12 VAL H A 29 TRP HH2 1.0 1.8 5.000 110 91 A 12 VAL H A 29 TRP HZ2 1.0 1.8 5.000 111 92 A 8 ILE HD1% A 13 SER H 1.0 1.8 6.000 112 93 A 13 SER H A 8 ILE HG1y 1.0 1.8 6.000 113 93 A 8 ILE HG1x A 13 SER H 1.0 1.8 6.000 114 94 A 8 ILE HG2% A 13 SER H 1.0 1.8 6.000 115 95 A 13 SER H A 12 VAL HA 1.0 1.8 2.800 116 96 A 12 VAL HB A 13 SER H 1.0 1.8 5.000 117 97 A 13 SER H A 12 VAL HGx% 1.0 1.8 4.080 118 98 A 12 VAL HGy% A 13 SER H 1.0 1.8 4.080 119 99 A 13 SER H A 13 SER HBx 1.0 1.8 3.136 120 99 A 13 SER H A 13 SER HBy 1.0 1.8 3.136 121 100 A 29 TRP HZ2 A 13 SER H 1.0 1.8 5.000 122 101 A 8 ILE HA A 14 GLY H 1.0 1.8 3.400 123 102 A 8 ILE HD1% A 14 GLY H 1.0 1.8 6.000 124 103 A 14 GLY H A 8 ILE HG1y 1.0 1.8 6.000 125 103 A 8 ILE HG1x A 14 GLY H 1.0 1.8 6.000 126 104 A 8 ILE HG2% A 14 GLY H 1.0 1.8 6.000 127 105 A 13 SER HA A 14 GLY H 1.0 1.8 2.800 128 106 A 14 GLY H A 13 SER HBx 1.0 1.8 3.808 129 106 A 14 GLY H A 13 SER HBy 1.0 1.8 3.808 130 107 A 14 GLY H A 13 SER H 1.0 1.8 5.000 131 108 A 29 TRP HD1 A 14 GLY H 1.0 1.8 5.000 132 109 A 29 TRP HE1 A 14 GLY H 1.0 1.8 3.400 133 110 A 14 GLY H A 29 TRP HZ2 1.0 1.8 5.000 134 111 A 15 ILE H A 14 GLY HAx 1.0 1.8 3.808 135 111 A 15 ILE H A 14 GLY HAy 1.0 1.8 3.808 136 112 A 15 ILE H A 15 ILE HB 1.0 1.8 3.400 137 113 A 15 ILE H A 15 ILE HG1x 1.0 1.8 6.000 138 113 A 15 ILE HG1y A 15 ILE H 1.0 1.8 6.000 139 114 A 16 ILE HA A 15 ILE H 1.0 1.8 5.000 140 115 A 15 ILE H A 29 TRP HA 1.0 1.8 5.000 141 116 A 29 TRP HD1 A 15 ILE H 1.0 1.8 5.000 142 117 A 29 TRP HE1 A 15 ILE H 1.0 1.8 5.000 143 118 A 15 ILE H A 30 ARG HBx 1.0 1.8 5.600 144 118 A 15 ILE H A 30 ARG HBy 1.0 1.8 5.600 145 119 A 15 ILE H A 32 THR HA 1.0 1.8 5.000 146 120 A 15 ILE H A 32 THR H 1.0 1.8 5.000 147 121 A 5 GLY H A 16 ILE H 1.0 1.8 3.400 148 122 A 16 ILE H A 7 ALA HB% 1.0 1.8 5.600 149 123 A 15 ILE HA A 16 ILE H 1.0 1.8 3.400 150 124 A 16 ILE H A 15 ILE H 1.0 1.8 5.000 151 125 A 16 ILE HB A 16 ILE H 1.0 1.8 3.400 152 126 A 16 ILE H A 16 ILE HD1% 1.0 1.8 6.000 153 127 A 16 ILE H A 17 ALA H 1.0 1.8 5.000 154 128 A 16 ILE H A 29 TRP HD1 1.0 1.8 5.000 155 129 A 100 ILE HD1% A 16 ILE H 1.0 1.8 6.000 156 130 A 5 GLY H A 17 ALA H 1.0 1.8 5.000 157 131 A 16 ILE HA A 17 ALA H 1.0 1.8 2.800 158 132 A 16 ILE HD1% A 17 ALA H 1.0 1.8 6.000 159 133 A 17 ALA H A 16 ILE HG1x 1.0 1.8 4.080 160 133 A 17 ALA H A 16 ILE HG1y 1.0 1.8 4.080 161 134 A 17 ALA HB% A 17 ALA H 1.0 1.8 3.808 162 135 A 17 ALA H A 27 LEU HDy% 1.0 1.8 5.600 163 136 A 17 ALA H A 28 THR HB 1.0 1.8 5.000 164 137 A 17 ALA H A 28 THR H 1.0 1.8 3.400 165 138 A 29 TRP HA A 17 ALA H 1.0 1.8 3.400 166 139 A 17 ALA H A 30 ARG H 1.0 1.8 5.000 167 140 A 18 ILE H A 4 SER HA 1.0 1.8 5.000 168 141 A 18 ILE H A 4 SER HBy 1.0 1.8 5.600 169 141 A 4 SER HBx A 18 ILE H 1.0 1.8 5.600 170 142 A 17 ALA HA A 18 ILE H 1.0 1.8 2.800 171 143 A 18 ILE H A 17 ALA HB% 1.0 1.8 3.808 172 144 A 18 ILE H A 17 ALA H 1.0 1.8 5.000 173 145 A 18 ILE H A 18 ILE HB 1.0 1.8 3.400 174 146 A 18 ILE H A 18 ILE HG1y 1.0 1.8 4.080 175 146 A 18 ILE H A 18 ILE HG1x 1.0 1.8 4.080 176 147 A 18 ILE H A 19 ASN H 1.0 1.8 5.000 177 148 A 18 ILE H A 100 ILE HD1% 1.0 1.8 6.000 178 149 A 19 ASN HD21 A 19 ASN HA 1.0 1.8 5.000 179 150 A 19 ASN HD21 A 22 VAL HGy% 1.0 1.8 4.080 180 151 A 19 ASN H A 18 ILE HA 1.0 1.8 2.800 181 152 A 18 ILE HB A 19 ASN H 1.0 1.8 5.000 182 153 A 19 ASN H A 18 ILE HG1y 1.0 1.8 6.000 183 153 A 18 ILE HG1x A 19 ASN H 1.0 1.8 6.000 184 154 A 19 ASN H A 18 ILE HG2% 1.0 1.8 4.080 185 155 A 19 ASN H A 19 ASN HBy 1.0 1.8 3.808 186 155 A 19 ASN H A 19 ASN HBx 1.0 1.8 3.808 187 156 A 19 ASN H A 20 GLU H 1.0 1.8 5.000 188 157 A 19 ASN H A 27 LEU HBy 1.0 1.8 5.600 189 157 A 19 ASN H A 27 LEU HBx 1.0 1.8 5.600 190 158 A 18 ILE HG2% A 20 GLU H 1.0 1.8 6.000 191 159 A 19 ASN HA A 20 GLU H 1.0 1.8 2.800 192 160 A 20 GLU H A 19 ASN HBy 1.0 1.8 5.600 193 160 A 19 ASN HBx A 20 GLU H 1.0 1.8 5.600 194 161 A 20 GLU H A 20 GLU HBy 1.0 1.8 3.808 195 161 A 20 GLU H A 20 GLU HBx 1.0 1.8 3.808 196 162 A 20 GLU H A 20 GLU HGx 1.0 1.8 5.600 197 162 A 20 GLU H A 20 GLU HGy 1.0 1.8 5.600 198 163 A 20 GLU H A 22 VAL H 1.0 1.8 5.000 199 164 A 19 ASN HA A 21 ASP H 1.0 1.8 3.400 200 165 A 19 ASN HD21 A 21 ASP H 1.0 1.8 3.400 201 166 A 21 ASP H A 19 ASN HD22 1.0 1.8 5.000 202 167 A 21 ASP H A 20 GLU HA 1.0 1.8 3.400 203 168 A 21 ASP H A 20 GLU HBy 1.0 1.8 5.600 204 168 A 20 GLU HBx A 21 ASP H 1.0 1.8 5.600 205 169 A 21 ASP H A 20 GLU HGx 1.0 1.8 5.600 206 169 A 20 GLU HGy A 21 ASP H 1.0 1.8 5.600 207 170 A 20 GLU H A 21 ASP H 1.0 1.8 3.400 208 171 A 21 ASP H A 21 ASP HBy 1.0 1.8 3.808 209 171 A 21 ASP H A 21 ASP HBx 1.0 1.8 3.808 210 172 A 21 ASP H A 22 VAL HA 1.0 1.8 5.000 211 173 A 22 VAL HGy% A 21 ASP H 1.0 1.8 4.080 212 174 A 22 VAL H A 21 ASP H 1.0 1.8 2.800 213 175 A 19 ASN HA A 22 VAL H 1.0 1.8 5.000 214 176 A 22 VAL H A 20 GLU HA 1.0 1.8 3.400 215 177 A 22 VAL H A 20 GLU HBy 1.0 1.8 5.600 216 177 A 20 GLU HBx A 22 VAL H 1.0 1.8 5.600 217 178 A 22 VAL H A 21 ASP HBy 1.0 1.8 3.808 218 178 A 22 VAL H A 21 ASP HBx 1.0 1.8 3.808 219 179 A 22 VAL H A 22 VAL HB 1.0 1.8 3.400 220 180 A 22 VAL HGy% A 22 VAL H 1.0 1.8 3.360 221 181 A 22 VAL H A 25 ALA HA 1.0 1.8 5.000 222 182 A 22 VAL H A 25 ALA HB% 1.0 1.8 5.600 223 183 A 22 VAL HA A 23 SER H 1.0 1.8 2.800 224 184 A 22 VAL HB A 23 SER H 1.0 1.8 2.800 225 185 A 22 VAL HGy% A 23 SER H 1.0 1.8 4.080 226 186 A 22 VAL H A 23 SER H 1.0 1.8 5.000 227 187 A 23 SER H A 23 SER HBy 1.0 1.8 3.808 228 187 A 23 SER H A 23 SER HBx 1.0 1.8 3.808 229 188 A 23 SER H A 24 PRO HD2 1.0 1.8 5.600 230 188 A 23 SER H A 24 PRO HD3 1.0 1.8 5.600 231 189 A 22 VAL HGy% A 25 ALA H 1.0 1.8 6.000 232 190 A 25 ALA H A 23 SER HBy 1.0 1.8 5.600 233 190 A 23 SER HBx A 25 ALA H 1.0 1.8 5.600 234 191 A 25 ALA H A 24 PRO HA 1.0 1.8 3.400 235 192 A 25 ALA H A 24 PRO HD2 1.0 1.8 5.600 236 192 A 24 PRO HD3 A 25 ALA H 1.0 1.8 5.600 237 193 A 25 ALA HB% A 25 ALA H 1.0 1.8 3.136 238 194 A 25 ALA H A 41 VAL HGx% 1.0 1.8 6.000 239 195 A 25 ALA H A 111 TYR HD% 1.0 1.8 5.600 240 196 A 25 ALA H A 111 TYR HE% 1.0 1.8 5.600 241 197 A 26 GLU H A 19 ASN HBy 1.0 1.8 5.600 242 197 A 19 ASN HBx A 26 GLU H 1.0 1.8 5.600 243 198 A 19 ASN H A 26 GLU H 1.0 1.8 5.000 244 199 A 20 GLU HA A 26 GLU H 1.0 1.8 5.000 245 200 A 20 GLU H A 26 GLU H 1.0 1.8 5.000 246 201 A 22 VAL H A 26 GLU H 1.0 1.8 5.000 247 202 A 25 ALA HA A 26 GLU H 1.0 1.8 2.800 248 203 A 25 ALA HB% A 26 GLU H 1.0 1.8 3.808 249 204 A 25 ALA H A 26 GLU H 1.0 1.8 5.000 250 205 A 26 GLU H A 26 GLU HBy 1.0 1.8 3.808 251 205 A 26 GLU H A 26 GLU HBx 1.0 1.8 3.808 252 206 A 26 GLU H A 26 GLU HGy 1.0 1.8 5.600 253 206 A 26 GLU H A 26 GLU HGx 1.0 1.8 5.600 254 207 A 26 GLU H A 27 LEU H 1.0 1.8 5.000 255 208 A 26 GLU H A 42 LEU H 1.0 1.8 5.000 256 209 A 27 LEU H A 27 LEU HBy 1.0 1.8 3.808 257 209 A 27 LEU HBx A 27 LEU H 1.0 1.8 3.808 258 210 A 28 THR H A 27 LEU H 1.0 1.8 5.000 259 211 A 27 LEU H A 39 THR HA 1.0 1.8 5.000 260 212 A 27 LEU H A 39 THR HG2% 1.0 1.8 6.000 261 213 A 27 LEU H A 40 VAL HGx% 1.0 1.8 6.000 262 214 A 27 LEU H A 40 VAL HGy% 1.0 1.8 6.000 263 215 A 27 LEU H A 41 VAL HA 1.0 1.8 5.000 264 216 A 28 THR H A 18 ILE HA 1.0 1.8 3.400 265 217 A 28 THR H A 27 LEU HA 1.0 1.8 2.800 266 218 A 28 THR H A 27 LEU HBy 1.0 1.8 5.600 267 218 A 28 THR H A 27 LEU HBx 1.0 1.8 5.600 268 219 A 28 THR HB A 28 THR H 1.0 1.8 3.400 269 220 A 29 TRP HE1 A 8 ILE HA 1.0 1.8 3.400 270 221 A 29 TRP HE1 A 9 PHE HBx 1.0 1.8 5.600 271 221 A 29 TRP HE1 A 9 PHE HBy 1.0 1.8 5.600 272 222 A 29 TRP HE1 A 13 SER HA 1.0 1.8 5.000 273 223 A 29 TRP HE1 A 13 SER HBx 1.0 1.8 5.600 274 223 A 29 TRP HE1 A 13 SER HBy 1.0 1.8 5.600 275 224 A 29 TRP HE1 A 14 GLY HAx 1.0 1.8 5.600 276 224 A 29 TRP HE1 A 14 GLY HAy 1.0 1.8 5.600 277 225 A 29 TRP HE1 A 16 ILE HG1x 1.0 1.8 6.000 278 225 A 29 TRP HE1 A 16 ILE HG1y 1.0 1.8 6.000 279 226 A 29 TRP H A 27 LEU HDx% 1.0 1.8 6.000 280 227 A 29 TRP H A 28 THR HA 1.0 1.8 2.800 281 228 A 28 THR HB A 29 TRP H 1.0 1.8 5.000 282 229 A 29 TRP H A 28 THR HG2% 1.0 1.8 4.080 283 230 A 29 TRP H A 29 TRP HBy 1.0 1.8 3.808 284 230 A 29 TRP H A 29 TRP HBx 1.0 1.8 3.808 285 231 A 29 TRP HD1 A 29 TRP H 1.0 1.8 5.000 286 232 A 29 TRP H A 29 TRP HE3 1.0 1.8 5.000 287 233 A 30 ARG H A 29 TRP H 1.0 1.8 5.000 288 234 A 29 TRP H A 37 VAL HGy% 1.0 1.8 5.600 289 234 A 29 TRP H A 37 VAL HGx% 1.0 1.8 5.600 290 235 A 29 TRP H A 38 HIS HA 1.0 1.8 5.000 291 236 A 29 TRP H A 38 HIS H 1.0 1.8 5.000 292 237 A 39 THR HA A 29 TRP H 1.0 1.8 3.400 293 238 A 30 ARG HE A 37 VAL HGy% 1.0 1.8 5.600 294 238 A 37 VAL HGx% A 30 ARG HE 1.0 1.8 5.600 295 239 A 30 ARG H A 14 GLY HAx 1.0 1.8 5.600 296 239 A 14 GLY HAy A 30 ARG H 1.0 1.8 5.600 297 240 A 30 ARG H A 15 ILE HG2% 1.0 1.8 6.000 298 241 A 15 ILE H A 30 ARG H 1.0 1.8 3.400 299 242 A 16 ILE HA A 30 ARG H 1.0 1.8 3.400 300 243 A 29 TRP HA A 30 ARG H 1.0 1.8 2.800 301 244 A 30 ARG H A 29 TRP HBy 1.0 1.8 5.600 302 244 A 30 ARG H A 29 TRP HBx 1.0 1.8 5.600 303 245 A 29 TRP HD1 A 30 ARG H 1.0 1.8 5.000 304 246 A 30 ARG H A 30 ARG HA 1.0 1.8 3.400 305 247 A 30 ARG H A 37 VAL HA 1.0 1.8 5.000 306 248 A 30 ARG H A 37 VAL HGy% 1.0 1.8 5.600 307 248 A 30 ARG H A 37 VAL HGx% 1.0 1.8 5.600 308 249 A 29 TRP HE3 A 31 SER H 1.0 1.8 5.000 309 250 A 29 TRP HH2 A 31 SER H 1.0 1.8 5.000 310 251 A 31 SER H A 29 TRP HZ3 1.0 1.8 5.000 311 252 A 30 ARG HA A 31 SER H 1.0 1.8 3.400 312 253 A 30 ARG H A 31 SER H 1.0 1.8 5.000 313 254 A 31 SER H A 31 SER HB2 1.0 1.8 3.808 314 254 A 31 SER H A 31 SER HB3 1.0 1.8 3.808 315 255 A 32 THR H A 31 SER H 1.0 1.8 5.000 316 256 A 31 SER H A 35 ASP H 1.0 1.8 5.000 317 257 A 31 SER H A 36 LYS HBx 1.0 1.8 5.600 318 257 A 31 SER H A 36 LYS HBy 1.0 1.8 5.600 319 258 A 31 SER H A 36 LYS H 1.0 1.8 3.400 320 259 A 37 VAL HA A 31 SER H 1.0 1.8 3.400 321 260 A 31 SER H A 37 VAL HB 1.0 1.8 5.000 322 261 A 31 SER H A 37 VAL HGy% 1.0 1.8 5.600 323 261 A 37 VAL HGx% A 31 SER H 1.0 1.8 5.600 324 262 A 38 HIS H A 31 SER H 1.0 1.8 5.000 325 263 A 12 VAL HGx% A 32 THR H 1.0 1.8 6.000 326 264 A 32 THR H A 14 GLY HAx 1.0 1.8 3.808 327 264 A 14 GLY HAy A 32 THR H 1.0 1.8 3.808 328 265 A 32 THR H A 31 SER HB2 1.0 1.8 3.808 329 265 A 32 THR H A 31 SER HB3 1.0 1.8 3.808 330 266 A 32 THR H A 33 ASP HA 1.0 1.8 5.000 331 267 A 32 THR H A 33 ASP H 1.0 1.8 3.400 332 268 A 12 VAL HGx% A 33 ASP H 1.0 1.8 6.000 333 269 A 33 ASP H A 31 SER HB2 1.0 1.8 5.600 334 269 A 31 SER HB3 A 33 ASP H 1.0 1.8 5.600 335 270 A 32 THR HA A 33 ASP H 1.0 1.8 3.400 336 271 A 33 ASP H A 32 THR HB 1.0 1.8 2.800 337 272 A 33 ASP H A 32 THR HG2% 1.0 1.8 4.080 338 273 A 33 ASP HA A 33 ASP H 1.0 1.8 3.400 339 274 A 33 ASP H A 33 ASP HBy 1.0 1.8 3.808 340 274 A 33 ASP H A 33 ASP HBx 1.0 1.8 3.808 341 275 A 33 ASP H A 34 GLY HAy 1.0 1.8 5.600 342 275 A 33 ASP H A 34 GLY HAx 1.0 1.8 5.600 343 276 A 33 ASP H A 34 GLY H 1.0 1.8 3.400 344 277 A 34 GLY H A 31 SER HB2 1.0 1.8 5.600 345 277 A 31 SER HB3 A 34 GLY H 1.0 1.8 5.600 346 278 A 32 THR HA A 34 GLY H 1.0 1.8 5.000 347 279 A 32 THR H A 34 GLY H 1.0 1.8 5.000 348 280 A 33 ASP HA A 34 GLY H 1.0 1.8 3.400 349 281 A 34 GLY H A 33 ASP HBy 1.0 1.8 5.600 350 281 A 33 ASP HBx A 34 GLY H 1.0 1.8 5.600 351 282 A 34 GLY H A 34 GLY HAy 1.0 1.8 3.136 352 282 A 34 GLY HAx A 34 GLY H 1.0 1.8 3.136 353 283 A 36 LYS H A 34 GLY H 1.0 1.8 5.000 354 284 A 35 ASP H A 33 ASP HA 1.0 1.8 5.000 355 285 A 35 ASP H A 34 GLY HAy 1.0 1.8 3.808 356 285 A 35 ASP H A 34 GLY HAx 1.0 1.8 3.808 357 286 A 35 ASP H A 34 GLY H 1.0 1.8 3.400 358 287 A 35 ASP H A 35 ASP HBy 1.0 1.8 3.136 359 287 A 35 ASP H A 35 ASP HBx 1.0 1.8 3.136 360 288 A 35 ASP H A 36 LYS HBx 1.0 1.8 5.600 361 288 A 35 ASP H A 36 LYS HBy 1.0 1.8 5.600 362 289 A 35 ASP H A 36 LYS H 1.0 1.8 3.400 363 290 A 29 TRP HZ3 A 36 LYS H 1.0 1.8 5.000 364 291 A 36 LYS H A 31 SER HB2 1.0 1.8 3.808 365 291 A 31 SER HB3 A 36 LYS H 1.0 1.8 3.808 366 292 A 36 LYS H A 34 GLY HAy 1.0 1.8 5.600 367 292 A 36 LYS H A 34 GLY HAx 1.0 1.8 5.600 368 293 A 36 LYS H A 35 ASP HA 1.0 1.8 3.400 369 294 A 36 LYS H A 35 ASP HBy 1.0 1.8 5.600 370 294 A 36 LYS H A 35 ASP HBx 1.0 1.8 5.600 371 295 A 36 LYS H A 36 LYS HBx 1.0 1.8 3.808 372 295 A 36 LYS HBy A 36 LYS H 1.0 1.8 3.808 373 296 A 36 LYS H A 36 LYS HGx 1.0 1.8 3.808 374 296 A 36 LYS H A 36 LYS HGy 1.0 1.8 3.808 375 297 A 29 TRP HE3 A 37 VAL H 1.0 1.8 5.000 376 298 A 29 TRP HZ3 A 37 VAL H 1.0 1.8 5.000 377 299 A 37 VAL H A 36 LYS HA 1.0 1.8 2.800 378 300 A 37 VAL H A 36 LYS HBx 1.0 1.8 3.808 379 300 A 36 LYS HBy A 37 VAL H 1.0 1.8 3.808 380 301 A 36 LYS H A 37 VAL H 1.0 1.8 5.000 381 302 A 37 VAL HB A 37 VAL H 1.0 1.8 3.400 382 303 A 37 VAL H A 37 VAL HGy% 1.0 1.8 3.808 383 303 A 37 VAL HGx% A 37 VAL H 1.0 1.8 3.808 384 304 A 38 HIS H A 37 VAL H 1.0 1.8 5.000 385 305 A 28 THR HG2% A 38 HIS H 1.0 1.8 6.000 386 306 A 38 HIS H A 29 TRP HBy 1.0 1.8 5.600 387 306 A 29 TRP HBx A 38 HIS H 1.0 1.8 5.600 388 307 A 29 TRP HE3 A 38 HIS H 1.0 1.8 3.400 389 308 A 38 HIS H A 29 TRP HZ3 1.0 1.8 5.000 390 309 A 38 HIS H A 30 ARG HA 1.0 1.8 5.000 391 310 A 30 ARG H A 38 HIS H 1.0 1.8 5.000 392 311 A 38 HIS H A 37 VAL HA 1.0 1.8 2.800 393 312 A 38 HIS H A 37 VAL HB 1.0 1.8 5.000 394 313 A 38 HIS H A 37 VAL HGy% 1.0 1.8 3.808 395 313 A 37 VAL HGx% A 38 HIS H 1.0 1.8 3.808 396 314 A 38 HIS H A 39 THR H 1.0 1.8 5.000 397 315 A 38 HIS HA A 39 THR H 1.0 1.8 2.800 398 316 A 39 THR H A 38 HIS HBy 1.0 1.8 3.808 399 316 A 39 THR H A 38 HIS HBx 1.0 1.8 3.808 400 317 A 40 VAL H A 27 LEU HBy 1.0 1.8 5.600 401 317 A 27 LEU HBx A 40 VAL H 1.0 1.8 5.600 402 318 A 27 LEU HDx% A 40 VAL H 1.0 1.8 6.000 403 319 A 27 LEU HDy% A 40 VAL H 1.0 1.8 5.600 404 320 A 27 LEU H A 40 VAL H 1.0 1.8 5.000 405 321 A 28 THR HA A 40 VAL H 1.0 1.8 3.400 406 322 A 39 THR HA A 40 VAL H 1.0 1.8 2.800 407 323 A 40 VAL H A 39 THR HB 1.0 1.8 5.000 408 324 A 39 THR HG2% A 40 VAL H 1.0 1.8 4.080 409 325 A 39 THR H A 40 VAL H 1.0 1.8 5.000 410 326 A 40 VAL H A 40 VAL HB 1.0 1.8 3.400 411 327 A 40 VAL H A 40 VAL HGx% 1.0 1.8 4.080 412 328 A 40 VAL H A 40 VAL HGy% 1.0 1.8 6.000 413 329 A 40 VAL H A 41 VAL H 1.0 1.8 5.000 414 330 A 41 VAL H A 40 VAL HA 1.0 1.8 2.800 415 331 A 40 VAL HB A 41 VAL H 1.0 1.8 5.000 416 332 A 41 VAL H A 40 VAL HGx% 1.0 1.8 6.000 417 333 A 41 VAL H A 40 VAL HGy% 1.0 1.8 4.080 418 334 A 41 VAL H A 41 VAL HB 1.0 1.8 3.400 419 335 A 41 VAL H A 41 VAL HGy% 1.0 1.8 4.080 420 336 A 42 LEU H A 41 VAL H 1.0 1.8 5.000 421 337 A 41 VAL H A 44 THR HG2% 1.0 1.8 6.000 422 338 A 25 ALA HB% A 42 LEU H 1.0 1.8 5.600 423 339 A 42 LEU H A 26 GLU HA 1.0 1.8 3.400 424 340 A 27 LEU H A 42 LEU H 1.0 1.8 5.000 425 341 A 42 LEU H A 41 VAL HA 1.0 1.8 3.400 426 342 A 42 LEU H A 41 VAL HB 1.0 1.8 5.000 427 343 A 41 VAL HGx% A 42 LEU H 1.0 1.8 4.080 428 344 A 42 LEU H A 41 VAL HGy% 1.0 1.8 6.000 429 345 A 42 LEU H A 42 LEU HG 1.0 1.8 3.400 430 346 A 111 TYR HE% A 42 LEU H 1.0 1.8 5.600 431 347 A 43 SER H A 24 PRO HBx 1.0 1.8 5.600 432 347 A 43 SER H A 24 PRO HBy 1.0 1.8 5.600 433 348 A 41 VAL HB A 43 SER H 1.0 1.8 5.000 434 349 A 41 VAL HGx% A 43 SER H 1.0 1.8 4.080 435 350 A 41 VAL HGy% A 43 SER H 1.0 1.8 6.000 436 351 A 43 SER H A 42 LEU HBy 1.0 1.8 5.600 437 351 A 43 SER H A 42 LEU HBx 1.0 1.8 5.600 438 352 A 43 SER H A 42 LEU HDx% 1.0 1.8 6.000 439 353 A 43 SER H A 42 LEU HDy% 1.0 1.8 5.600 440 354 A 42 LEU H A 43 SER H 1.0 1.8 5.000 441 355 A 43 SER H A 43 SER HBx 1.0 1.8 3.808 442 355 A 43 SER H A 43 SER HBy 1.0 1.8 3.808 443 356 A 44 THR HG2% A 43 SER H 1.0 1.8 6.000 444 357 A 43 SER H A 44 THR H 1.0 1.8 3.400 445 358 A 111 TYR HE% A 43 SER H 1.0 1.8 5.600 446 359 A 41 VAL HB A 44 THR H 1.0 1.8 5.000 447 360 A 41 VAL HGx% A 44 THR H 1.0 1.8 4.080 448 361 A 41 VAL HGy% A 44 THR H 1.0 1.8 6.000 449 362 A 42 LEU H A 44 THR H 1.0 1.8 5.000 450 363 A 44 THR H A 43 SER HA 1.0 1.8 5.000 451 364 A 44 THR H A 43 SER HBx 1.0 1.8 5.600 452 364 A 43 SER HBy A 44 THR H 1.0 1.8 5.600 453 365 A 44 THR H A 44 THR HB 1.0 1.8 3.400 454 366 A 44 THR HG2% A 44 THR H 1.0 1.8 4.080 455 367 A 44 THR H A 45 ILE HB 1.0 1.8 5.000 456 368 A 44 THR H A 45 ILE HD1% 1.0 1.8 6.000 457 369 A 44 THR H A 45 ILE HG1y 1.0 1.8 6.000 458 369 A 44 THR H A 45 ILE HG1x 1.0 1.8 6.000 459 370 A 45 ILE H A 40 VAL HGy% 1.0 1.8 6.000 460 371 A 43 SER H A 45 ILE H 1.0 1.8 3.400 461 372 A 45 ILE H A 44 THR HA 1.0 1.8 5.000 462 373 A 44 THR HB A 45 ILE H 1.0 1.8 5.000 463 374 A 44 THR HG2% A 45 ILE H 1.0 1.8 6.000 464 375 A 44 THR H A 45 ILE H 1.0 1.8 3.400 465 376 A 45 ILE HB A 45 ILE H 1.0 1.8 3.400 466 377 A 45 ILE HD1% A 45 ILE H 1.0 1.8 4.080 467 378 A 45 ILE H A 45 ILE HG1y 1.0 1.8 4.080 468 378 A 45 ILE HG1x A 45 ILE H 1.0 1.8 4.080 469 379 A 46 ASP H A 45 ILE HA 1.0 1.8 3.400 470 380 A 45 ILE HD1% A 46 ASP H 1.0 1.8 6.000 471 381 A 46 ASP H A 45 ILE HG2% 1.0 1.8 4.080 472 382 A 45 ILE H A 46 ASP H 1.0 1.8 5.000 473 383 A 46 ASP H A 46 ASP HBy 1.0 1.8 3.808 474 383 A 46 ASP H A 46 ASP HBx 1.0 1.8 3.808 475 384 A 46 ASP H A 47 LYS H 1.0 1.8 3.400 476 385 A 46 ASP H A 64 GLY HAx 1.0 1.8 5.600 477 385 A 46 ASP H A 64 GLY HAy 1.0 1.8 5.600 478 386 A 45 ILE HA A 47 LYS H 1.0 1.8 5.000 479 387 A 45 ILE HG2% A 47 LYS H 1.0 1.8 4.080 480 388 A 47 LYS H A 46 ASP HBy 1.0 1.8 3.808 481 388 A 46 ASP HBx A 47 LYS H 1.0 1.8 3.808 482 389 A 47 LYS H A 47 LYS HBy 1.0 1.8 3.808 483 389 A 47 LYS H A 47 LYS HBx 1.0 1.8 3.808 484 390 A 47 LYS H A 47 LYS HG2 1.0 1.8 3.808 485 390 A 47 LYS H A 47 LYS HG3 1.0 1.8 3.808 486 391 A 47 LYS H A 62 LEU HA 1.0 1.8 5.000 487 392 A 47 LYS H A 63 ILE HB 1.0 1.8 3.400 488 393 A 47 LYS H A 108 ILE HD1% 1.0 1.8 6.000 489 394 A 48 LEU H A 47 LYS HA 1.0 1.8 2.800 490 395 A 48 LEU H A 47 LYS HBy 1.0 1.8 3.808 491 395 A 47 LYS HBx A 48 LEU H 1.0 1.8 3.808 492 396 A 48 LEU H A 47 LYS HG2 1.0 1.8 3.808 493 396 A 47 LYS HG3 A 48 LEU H 1.0 1.8 3.808 494 397 A 47 LYS H A 48 LEU H 1.0 1.8 5.000 495 398 A 48 LEU H A 48 LEU HBx 1.0 1.8 3.808 496 398 A 48 LEU H A 48 LEU HBy 1.0 1.8 3.808 497 399 A 48 LEU H A 48 LEU HDy% 1.0 1.8 5.600 498 399 A 48 LEU H A 48 LEU HDx% 1.0 1.8 5.600 499 400 A 48 LEU H A 49 GLN H 1.0 1.8 5.000 500 401 A 108 ILE HD1% A 48 LEU H 1.0 1.8 6.000 501 402 A 49 GLN HE21 A 63 ILE HD1% 1.0 1.8 6.000 502 403 A 63 ILE HD1% A 49 GLN HE22 1.0 1.8 6.000 503 404 A 49 GLN H A 48 LEU HA 1.0 1.8 2.800 504 405 A 49 GLN H A 48 LEU HG 1.0 1.8 3.400 505 406 A 49 GLN H A 49 GLN HB2 1.0 1.8 3.808 506 406 A 49 GLN H A 49 GLN HB3 1.0 1.8 3.808 507 407 A 49 GLN H A 49 GLN HGy 1.0 1.8 5.600 508 407 A 49 GLN H A 49 GLN HGx 1.0 1.8 5.600 509 408 A 49 GLN H A 61 ARG HBy 1.0 1.8 3.808 510 408 A 49 GLN H A 61 ARG HBx 1.0 1.8 3.808 511 409 A 49 GLN H A 61 ARG H 1.0 1.8 3.400 512 410 A 62 LEU HA A 49 GLN H 1.0 1.8 5.000 513 411 A 49 GLN H A 63 ILE HD1% 1.0 1.8 6.000 514 412 A 50 ALA H A 49 GLN HA 1.0 1.8 3.400 515 413 A 50 ALA H A 49 GLN HB2 1.0 1.8 3.808 516 413 A 49 GLN HB3 A 50 ALA H 1.0 1.8 3.808 517 414 A 50 ALA H A 49 GLN HGy 1.0 1.8 5.600 518 414 A 49 GLN HGx A 50 ALA H 1.0 1.8 5.600 519 415 A 50 ALA H A 50 ALA HB% 1.0 1.8 3.136 520 416 A 51 THR H A 50 ALA HA 1.0 1.8 2.800 521 417 A 50 ALA HB% A 51 THR H 1.0 1.8 3.808 522 418 A 50 ALA H A 51 THR H 1.0 1.8 5.000 523 419 A 51 THR H A 51 THR HG2% 1.0 1.8 4.080 524 420 A 51 THR H A 59 MET HBx 1.0 1.8 3.808 525 420 A 51 THR H A 59 MET HBy 1.0 1.8 3.808 526 421 A 51 THR H A 60 LEU HA 1.0 1.8 5.000 527 422 A 51 THR H A 60 LEU HDy% 1.0 1.8 5.600 528 423 A 61 ARG H A 51 THR H 1.0 1.8 5.000 529 424 A 51 THR H A 97 MET HE% 1.0 1.8 3.808 530 425 A 53 ALA H A 52 PRO HA 1.0 1.8 3.400 531 426 A 53 ALA H A 53 ALA HB% 1.0 1.8 3.808 532 427 A 52 PRO HA A 54 SER H 1.0 1.8 5.000 533 428 A 54 SER H A 52 PRO HBx 1.0 1.8 5.600 534 428 A 54 SER H A 52 PRO HBy 1.0 1.8 5.600 535 429 A 54 SER H A 52 PRO HGy 1.0 1.8 5.600 536 429 A 54 SER H A 52 PRO HGx 1.0 1.8 5.600 537 430 A 53 ALA HB% A 54 SER H 1.0 1.8 3.808 538 431 A 54 SER H A 54 SER HBy 1.0 1.8 3.808 539 431 A 54 SER H A 54 SER HBx 1.0 1.8 3.808 540 432 A 55 SER H A 52 PRO HBx 1.0 1.8 5.600 541 432 A 52 PRO HBy A 55 SER H 1.0 1.8 5.600 542 433 A 55 SER H A 52 PRO HGy 1.0 1.8 3.808 543 433 A 52 PRO HGx A 55 SER H 1.0 1.8 3.808 544 434 A 53 ALA HB% A 55 SER H 1.0 1.8 5.600 545 435 A 55 SER H A 54 SER HA 1.0 1.8 3.400 546 436 A 55 SER H A 55 SER HA 1.0 1.8 3.400 547 437 A 55 SER H A 55 SER HBy 1.0 1.8 3.136 548 437 A 55 SER H A 55 SER HBx 1.0 1.8 3.136 549 438 A 55 SER H A 56 GLU H 1.0 1.8 5.000 550 439 A 55 SER H A 57 LYS H 1.0 1.8 5.000 551 440 A 55 SER HA A 56 GLU H 1.0 1.8 2.800 552 441 A 56 GLU H A 55 SER HBy 1.0 1.8 5.600 553 441 A 55 SER HBx A 56 GLU H 1.0 1.8 5.600 554 442 A 56 GLU H A 56 GLU HBy 1.0 1.8 3.808 555 442 A 56 GLU H A 56 GLU HBx 1.0 1.8 3.808 556 443 A 56 GLU H A 56 GLU HGx 1.0 1.8 5.600 557 443 A 56 GLU H A 56 GLU HGy 1.0 1.8 5.600 558 444 A 55 SER HA A 57 LYS H 1.0 1.8 3.400 559 445 A 57 LYS H A 55 SER HBy 1.0 1.8 5.600 560 445 A 55 SER HBx A 57 LYS H 1.0 1.8 5.600 561 446 A 57 LYS H A 56 GLU HA 1.0 1.8 3.400 562 447 A 57 LYS H A 56 GLU HBy 1.0 1.8 3.808 563 447 A 57 LYS H A 56 GLU HBx 1.0 1.8 3.808 564 448 A 57 LYS H A 56 GLU HGx 1.0 1.8 5.600 565 448 A 57 LYS H A 56 GLU HGy 1.0 1.8 5.600 566 449 A 56 GLU H A 57 LYS H 1.0 1.8 3.400 567 450 A 57 LYS H A 57 LYS HBy 1.0 1.8 3.808 568 450 A 57 LYS H A 57 LYS HBx 1.0 1.8 3.808 569 451 A 57 LYS H A 57 LYS HDx 1.0 1.8 3.808 570 451 A 57 LYS H A 57 LYS HDy 1.0 1.8 3.808 571 452 A 57 LYS H A 57 LYS HGy 1.0 1.8 3.808 572 452 A 57 LYS H A 57 LYS HGx 1.0 1.8 3.808 573 453 A 58 MET H A 57 LYS HA 1.0 1.8 2.800 574 454 A 58 MET H A 57 LYS HBy 1.0 1.8 5.600 575 454 A 57 LYS HBx A 58 MET H 1.0 1.8 5.600 576 455 A 58 MET H A 58 MET HBy 1.0 1.8 3.808 577 455 A 58 MET H A 58 MET HBx 1.0 1.8 3.808 578 456 A 51 THR HG2% A 59 MET H 1.0 1.8 4.080 579 457 A 59 MET H A 59 MET HBx 1.0 1.8 3.808 580 457 A 59 MET HBy A 59 MET H 1.0 1.8 3.808 581 458 A 59 MET H A 60 LEU H 1.0 1.8 5.000 582 459 A 59 MET H A 90 SER HA 1.0 1.8 5.000 583 460 A 60 LEU H A 59 MET HA 1.0 1.8 3.400 584 461 A 60 LEU H A 59 MET HBx 1.0 1.8 5.600 585 461 A 59 MET HBy A 60 LEU H 1.0 1.8 5.600 586 462 A 60 LEU H A 59 MET HGy 1.0 1.8 5.600 587 462 A 60 LEU H A 59 MET HGx 1.0 1.8 5.600 588 463 A 60 LEU H A 60 LEU HBy 1.0 1.8 5.600 589 463 A 60 LEU H A 60 LEU HBx 1.0 1.8 5.600 590 464 A 60 LEU H A 60 LEU HDx% 1.0 1.8 6.000 591 465 A 60 LEU H A 60 LEU HDy% 1.0 1.8 5.600 592 466 A 60 LEU H A 90 SER HA 1.0 1.8 3.400 593 467 A 60 LEU H A 91 PHE HD% 1.0 1.8 5.600 594 468 A 91 PHE HE% A 60 LEU H 1.0 1.8 3.808 595 469 A 60 LEU H A 91 PHE H 1.0 1.8 3.400 596 470 A 61 ARG H A 49 GLN HA 1.0 1.8 5.000 597 471 A 61 ARG H A 49 GLN HB2 1.0 1.8 3.808 598 471 A 49 GLN HB3 A 61 ARG H 1.0 1.8 3.808 599 472 A 61 ARG H A 50 ALA HA 1.0 1.8 5.000 600 473 A 61 ARG H A 50 ALA HB% 1.0 1.8 3.808 601 474 A 61 ARG H A 60 LEU HA 1.0 1.8 3.400 602 475 A 61 ARG H A 60 LEU HBy 1.0 1.8 5.600 603 475 A 61 ARG H A 60 LEU HBx 1.0 1.8 5.600 604 476 A 61 ARG H A 60 LEU H 1.0 1.8 5.000 605 477 A 61 ARG H A 61 ARG HBy 1.0 1.8 3.808 606 477 A 61 ARG HBx A 61 ARG H 1.0 1.8 3.808 607 478 A 61 ARG H A 61 ARG HG2 1.0 1.8 5.600 608 478 A 61 ARG H A 61 ARG HG3 1.0 1.8 5.600 609 479 A 62 LEU H A 61 ARG HA 1.0 1.8 3.400 610 480 A 62 LEU H A 62 LEU HBx 1.0 1.8 5.600 611 480 A 62 LEU H A 62 LEU HBy 1.0 1.8 5.600 612 481 A 62 LEU H A 62 LEU HDy% 1.0 1.8 3.808 613 481 A 62 LEU H A 62 LEU HDx% 1.0 1.8 3.808 614 482 A 62 LEU H A 62 LEU HG 1.0 1.8 3.400 615 483 A 62 LEU H A 88 MET HA 1.0 1.8 5.000 616 484 A 45 ILE HG2% A 63 ILE H 1.0 1.8 4.080 617 485 A 47 LYS H A 63 ILE H 1.0 1.8 5.000 618 486 A 48 LEU HA A 63 ILE H 1.0 1.8 5.000 619 487 A 62 LEU HA A 63 ILE H 1.0 1.8 3.400 620 488 A 63 ILE H A 62 LEU HBx 1.0 1.8 5.600 621 488 A 62 LEU HBy A 63 ILE H 1.0 1.8 5.600 622 489 A 63 ILE HD1% A 63 ILE H 1.0 1.8 4.080 623 490 A 63 ILE H A 63 ILE HG1y 1.0 1.8 4.080 624 490 A 63 ILE H A 63 ILE HG1x 1.0 1.8 4.080 625 491 A 45 ILE HA A 64 GLY H 1.0 1.8 5.000 626 492 A 64 GLY H A 63 ILE HA 1.0 1.8 2.800 627 493 A 63 ILE HB A 64 GLY H 1.0 1.8 5.000 628 494 A 63 ILE HD1% A 64 GLY H 1.0 1.8 6.000 629 495 A 64 GLY H A 63 ILE HG2% 1.0 1.8 4.080 630 496 A 64 GLY H A 86 ARG HA 1.0 1.8 5.000 631 497 A 64 GLY H A 86 ARG HGy 1.0 1.8 5.600 632 497 A 64 GLY H A 86 ARG HGx 1.0 1.8 5.600 633 498 A 44 THR HA A 65 LYS H 1.0 1.8 5.000 634 499 A 65 LYS H A 46 ASP HBy 1.0 1.8 5.600 635 499 A 46 ASP HBx A 65 LYS H 1.0 1.8 5.600 636 500 A 46 ASP H A 65 LYS H 1.0 1.8 5.000 637 501 A 63 ILE HG2% A 65 LYS H 1.0 1.8 6.000 638 502 A 65 LYS H A 64 GLY HAx 1.0 1.8 3.808 639 502 A 64 GLY HAy A 65 LYS H 1.0 1.8 3.808 640 503 A 64 GLY H A 65 LYS H 1.0 1.8 5.000 641 504 A 65 LYS H A 65 LYS HBy 1.0 1.8 3.808 642 504 A 65 LYS H A 65 LYS HBx 1.0 1.8 3.808 643 505 A 65 LYS H A 65 LYS HDy 1.0 1.8 5.600 644 505 A 65 LYS H A 65 LYS HDx 1.0 1.8 5.600 645 506 A 65 LYS H A 65 LYS HGx 1.0 1.8 3.808 646 506 A 65 LYS H A 65 LYS HGy 1.0 1.8 3.808 647 507 A 65 LYS H A 66 VAL H 1.0 1.8 5.000 648 508 A 66 VAL H A 46 ASP HBy 1.0 1.8 5.600 649 508 A 46 ASP HBx A 66 VAL H 1.0 1.8 5.600 650 509 A 66 VAL H A 65 LYS HA 1.0 1.8 2.800 651 510 A 66 VAL H A 65 LYS HBy 1.0 1.8 3.808 652 510 A 65 LYS HBx A 66 VAL H 1.0 1.8 3.808 653 511 A 66 VAL H A 65 LYS HGx 1.0 1.8 5.600 654 511 A 65 LYS HGy A 66 VAL H 1.0 1.8 5.600 655 512 A 66 VAL H A 66 VAL HB 1.0 1.8 2.800 656 513 A 66 VAL H A 66 VAL HGx% 1.0 1.8 3.360 657 514 A 67 ASP H A 66 VAL HA 1.0 1.8 2.800 658 515 A 66 VAL HGx% A 67 ASP H 1.0 1.8 4.080 659 516 A 67 ASP H A 66 VAL HGy% 1.0 1.8 4.080 660 517 A 66 VAL H A 67 ASP H 1.0 1.8 5.000 661 518 A 67 ASP H A 67 ASP HBy 1.0 1.8 3.808 662 518 A 67 ASP H A 67 ASP HBx 1.0 1.8 3.808 663 519 A 68 GLU H A 67 ASP HA 1.0 1.8 2.800 664 520 A 68 GLU H A 67 ASP HBy 1.0 1.8 5.600 665 520 A 67 ASP HBx A 68 GLU H 1.0 1.8 5.600 666 521 A 67 ASP H A 68 GLU H 1.0 1.8 5.000 667 522 A 68 GLU H A 68 GLU HBy 1.0 1.8 3.808 668 522 A 68 GLU H A 68 GLU HBx 1.0 1.8 3.808 669 523 A 68 GLU H A 68 GLU HGx 1.0 1.8 3.808 670 523 A 68 GLU H A 68 GLU HGy 1.0 1.8 3.808 671 524 A 68 GLU H A 70 LYS H 1.0 1.8 5.000 672 525 A 69 SER H A 67 ASP HBy 1.0 1.8 5.600 673 525 A 67 ASP HBx A 69 SER H 1.0 1.8 5.600 674 526 A 69 SER H A 68 GLU HA 1.0 1.8 3.400 675 527 A 69 SER H A 68 GLU HBy 1.0 1.8 5.600 676 527 A 68 GLU HBx A 69 SER H 1.0 1.8 5.600 677 528 A 69 SER H A 68 GLU HGx 1.0 1.8 5.600 678 528 A 68 GLU HGy A 69 SER H 1.0 1.8 5.600 679 529 A 68 GLU H A 69 SER H 1.0 1.8 3.400 680 530 A 69 SER H A 69 SER HBy 1.0 1.8 3.136 681 530 A 69 SER H A 69 SER HBx 1.0 1.8 3.136 682 531 A 69 SER H A 70 LYS HBy 1.0 1.8 5.600 683 531 A 69 SER H A 70 LYS HBx 1.0 1.8 5.600 684 532 A 69 SER H A 70 LYS HGx 1.0 1.8 5.600 685 532 A 69 SER H A 70 LYS HGy 1.0 1.8 5.600 686 533 A 70 LYS H A 69 SER H 1.0 1.8 2.800 687 534 A 70 LYS H A 67 ASP HBy 1.0 1.8 5.600 688 534 A 67 ASP HBx A 70 LYS H 1.0 1.8 5.600 689 535 A 70 LYS H A 68 GLU HA 1.0 1.8 5.000 690 536 A 70 LYS H A 69 SER HA 1.0 1.8 3.400 691 537 A 70 LYS H A 69 SER HBy 1.0 1.8 5.600 692 537 A 70 LYS H A 69 SER HBx 1.0 1.8 5.600 693 538 A 70 LYS H A 70 LYS HBy 1.0 1.8 3.808 694 538 A 70 LYS H A 70 LYS HBx 1.0 1.8 3.808 695 539 A 70 LYS H A 70 LYS HDy 1.0 1.8 5.600 696 539 A 70 LYS H A 70 LYS HDx 1.0 1.8 5.600 697 540 A 70 LYS H A 70 LYS HGx 1.0 1.8 3.808 698 540 A 70 LYS H A 70 LYS HGy 1.0 1.8 3.808 699 541 A 68 GLU HA A 71 LYS H 1.0 1.8 5.000 700 542 A 69 SER H A 71 LYS H 1.0 1.8 5.000 701 543 A 71 LYS H A 71 LYS HGx 1.0 1.8 3.808 702 543 A 71 LYS H A 71 LYS HGy 1.0 1.8 3.808 703 544 A 71 LYS H A 72 ARG H 1.0 1.8 3.400 704 545 A 72 ARG H A 71 LYS HA 1.0 1.8 2.800 705 546 A 72 ARG H A 71 LYS HGx 1.0 1.8 5.600 706 546 A 71 LYS HGy A 72 ARG H 1.0 1.8 5.600 707 547 A 72 ARG H A 72 ARG HBx 1.0 1.8 3.808 708 547 A 72 ARG H A 72 ARG HBy 1.0 1.8 3.808 709 548 A 72 ARG H A 72 ARG HDx 1.0 1.8 5.600 710 548 A 72 ARG H A 72 ARG HDy 1.0 1.8 5.600 711 549 A 72 ARG H A 72 ARG HGx 1.0 1.8 3.808 712 549 A 72 ARG H A 72 ARG HGy 1.0 1.8 3.808 713 550 A 72 ARG H A 80 VAL HGy% 1.0 1.8 5.600 714 550 A 72 ARG H A 80 VAL HGx% 1.0 1.8 5.600 715 551 A 72 ARG H A 80 VAL H 1.0 1.8 3.400 716 552 A 72 ARG H A 81 VAL HGy% 1.0 1.8 5.600 717 552 A 72 ARG H A 81 VAL HGx% 1.0 1.8 5.600 718 553 A 73 LYS H A 72 ARG HA 1.0 1.8 2.800 719 554 A 73 LYS H A 72 ARG HBx 1.0 1.8 3.808 720 554 A 72 ARG HBy A 73 LYS H 1.0 1.8 3.808 721 555 A 73 LYS H A 73 LYS HGy 1.0 1.8 5.600 722 555 A 73 LYS H A 73 LYS HGx 1.0 1.8 5.600 723 556 A 74 ASP H A 73 LYS HA 1.0 1.8 2.800 724 557 A 74 ASP H A 73 LYS HB2 1.0 1.8 3.136 725 557 A 74 ASP H A 73 LYS HB3 1.0 1.8 3.136 726 558 A 74 ASP H A 73 LYS HD2 1.0 1.8 5.600 727 558 A 74 ASP H A 73 LYS HD3 1.0 1.8 5.600 728 559 A 74 ASP H A 73 LYS HGy 1.0 1.8 5.600 729 559 A 73 LYS HGx A 74 ASP H 1.0 1.8 5.600 730 560 A 74 ASP H A 74 ASP HBy 1.0 1.8 3.808 731 560 A 74 ASP H A 74 ASP HBx 1.0 1.8 3.808 732 561 A 74 ASP H A 77 GLY HAy 1.0 1.8 5.600 733 561 A 74 ASP H A 77 GLY HAx 1.0 1.8 5.600 734 562 A 75 ASN HD21 A 75 ASN HB2 1.0 1.8 3.808 735 562 A 75 ASN HD21 A 75 ASN HB3 1.0 1.8 3.808 736 563 A 75 ASN HD22 A 75 ASN HB2 1.0 1.8 3.808 737 563 A 75 ASN HB3 A 75 ASN HD22 1.0 1.8 3.808 738 564 A 75 ASN H A 74 ASP HA 1.0 1.8 3.400 739 565 A 75 ASN H A 74 ASP HBy 1.0 1.8 3.808 740 565 A 74 ASP HBx A 75 ASN H 1.0 1.8 3.808 741 566 A 74 ASP H A 75 ASN H 1.0 1.8 5.000 742 567 A 75 ASN H A 75 ASN HB2 1.0 1.8 3.808 743 567 A 75 ASN HB3 A 75 ASN H 1.0 1.8 3.808 744 568 A 76 GLU H A 74 ASP HBy 1.0 1.8 5.600 745 568 A 74 ASP HBx A 76 GLU H 1.0 1.8 5.600 746 569 A 76 GLU H A 75 ASN HA 1.0 1.8 3.400 747 570 A 76 GLU H A 75 ASN HB2 1.0 1.8 3.808 748 570 A 75 ASN HB3 A 76 GLU H 1.0 1.8 3.808 749 571 A 75 ASN H A 76 GLU H 1.0 1.8 3.400 750 572 A 76 GLU H A 76 GLU HBy 1.0 1.8 3.136 751 572 A 76 GLU H A 76 GLU HBx 1.0 1.8 3.136 752 573 A 76 GLU H A 77 GLY HAy 1.0 1.8 5.600 753 573 A 77 GLY HAx A 76 GLU H 1.0 1.8 5.600 754 574 A 76 GLU H A 78 ASN HD22 1.0 1.8 5.000 755 575 A 76 GLU H A 78 ASN H 1.0 1.8 3.400 756 576 A 77 GLY H A 73 LYS HB2 1.0 1.8 5.600 757 576 A 73 LYS HB3 A 77 GLY H 1.0 1.8 5.600 758 577 A 77 GLY H A 73 LYS HD2 1.0 1.8 5.600 759 577 A 73 LYS HD3 A 77 GLY H 1.0 1.8 5.600 760 578 A 75 ASN HA A 77 GLY H 1.0 1.8 5.000 761 579 A 77 GLY H A 76 GLU HA 1.0 1.8 3.400 762 580 A 77 GLY H A 76 GLU HBy 1.0 1.8 5.600 763 580 A 76 GLU HBx A 77 GLY H 1.0 1.8 5.600 764 581 A 77 GLY H A 77 GLY HAy 1.0 1.8 3.136 765 581 A 77 GLY HAx A 77 GLY H 1.0 1.8 3.136 766 582 A 78 ASN HD21 A 76 GLU HBy 1.0 1.8 3.808 767 582 A 76 GLU HBx A 78 ASN HD21 1.0 1.8 3.808 768 583 A 78 ASN HD21 A 78 ASN HBy 1.0 1.8 3.808 769 583 A 78 ASN HD21 A 78 ASN HBx 1.0 1.8 3.808 770 584 A 78 ASN HD22 A 76 GLU HBy 1.0 1.8 3.808 771 584 A 76 GLU HBx A 78 ASN HD22 1.0 1.8 3.808 772 585 A 78 ASN HD22 A 78 ASN HBy 1.0 1.8 3.808 773 585 A 78 ASN HD22 A 78 ASN HBx 1.0 1.8 3.808 774 586 A 78 ASN H A 73 LYS HB2 1.0 1.8 5.600 775 586 A 73 LYS HB3 A 78 ASN H 1.0 1.8 5.600 776 587 A 78 ASN H A 76 GLU HA 1.0 1.8 5.000 777 588 A 78 ASN H A 76 GLU HBy 1.0 1.8 3.808 778 588 A 76 GLU HBx A 78 ASN H 1.0 1.8 3.808 779 589 A 78 ASN H A 77 GLY HAy 1.0 1.8 3.808 780 589 A 77 GLY HAx A 78 ASN H 1.0 1.8 3.808 781 590 A 78 ASN H A 77 GLY H 1.0 1.8 2.800 782 591 A 78 ASN H A 78 ASN HBy 1.0 1.8 3.808 783 591 A 78 ASN H A 78 ASN HBx 1.0 1.8 3.808 784 592 A 79 GLU H A 73 LYS HB2 1.0 1.8 5.600 785 592 A 73 LYS HB3 A 79 GLU H 1.0 1.8 5.600 786 593 A 79 GLU H A 78 ASN HBy 1.0 1.8 3.808 787 593 A 78 ASN HBx A 79 GLU H 1.0 1.8 3.808 788 594 A 79 GLU H A 79 GLU HBx 1.0 1.8 3.136 789 594 A 79 GLU H A 79 GLU HBy 1.0 1.8 3.136 790 595 A 79 GLU H A 79 GLU HGx 1.0 1.8 5.600 791 595 A 79 GLU H A 79 GLU HGy 1.0 1.8 5.600 792 596 A 79 GLU H A 80 VAL HGy% 1.0 1.8 5.600 793 596 A 80 VAL HGx% A 79 GLU H 1.0 1.8 5.600 794 597 A 80 VAL H A 73 LYS HA 1.0 1.8 3.400 795 598 A 80 VAL H A 73 LYS HD2 1.0 1.8 5.600 796 598 A 80 VAL H A 73 LYS HD3 1.0 1.8 5.600 797 599 A 80 VAL H A 79 GLU HA 1.0 1.8 2.800 798 600 A 80 VAL H A 79 GLU HGx 1.0 1.8 5.600 799 600 A 80 VAL H A 79 GLU HGy 1.0 1.8 5.600 800 601 A 80 VAL H A 80 VAL HGy% 1.0 1.8 3.136 801 601 A 80 VAL HGx% A 80 VAL H 1.0 1.8 3.136 802 602 A 81 VAL H A 80 VAL HGy% 1.0 1.8 3.808 803 602 A 80 VAL HGx% A 81 VAL H 1.0 1.8 3.808 804 603 A 81 VAL H A 81 VAL HB 1.0 1.8 2.800 805 604 A 81 VAL H A 81 VAL HGy% 1.0 1.8 3.808 806 604 A 81 VAL HGx% A 81 VAL H 1.0 1.8 3.808 807 605 A 81 VAL H A 82 PRO HDx 1.0 1.8 5.600 808 605 A 81 VAL H A 82 PRO HDy 1.0 1.8 5.600 809 606 A 83 LYS H A 80 VAL HGy% 1.0 1.8 6.720 810 606 A 80 VAL HGx% A 83 LYS H 1.0 1.8 6.720 811 607 A 83 LYS H A 82 PRO HA 1.0 1.8 2.800 812 608 A 83 LYS H A 82 PRO HBx 1.0 1.8 3.808 813 608 A 83 LYS H A 82 PRO HBy 1.0 1.8 3.808 814 609 A 83 LYS H A 83 LYS HBx 1.0 1.8 3.808 815 609 A 83 LYS H A 83 LYS HBy 1.0 1.8 3.808 816 610 A 83 LYS H A 83 LYS HGx 1.0 1.8 3.808 817 610 A 83 LYS H A 83 LYS HGy 1.0 1.8 3.808 818 611 A 83 LYS H A 84 PRO HDy 1.0 1.8 5.600 819 611 A 83 LYS H A 84 PRO HDx 1.0 1.8 5.600 820 612 A 85 GLN HE21 A 85 GLN HGy 1.0 1.8 3.808 821 612 A 85 GLN HE21 A 85 GLN HGx 1.0 1.8 3.808 822 613 A 85 GLN HE22 A 85 GLN HGy 1.0 1.8 5.600 823 613 A 85 GLN HGx A 85 GLN HE22 1.0 1.8 5.600 824 614 A 63 ILE HG2% A 85 GLN H 1.0 1.8 6.000 825 615 A 64 GLY H A 85 GLN H 1.0 1.8 5.000 826 616 A 85 GLN H A 84 PRO HA 1.0 1.8 2.800 827 617 A 85 GLN H A 85 GLN HGy 1.0 1.8 3.808 828 617 A 85 GLN HGx A 85 GLN H 1.0 1.8 3.808 829 618 A 85 GLN H A 86 ARG H 1.0 1.8 5.000 830 619 A 86 ARG H A 85 GLN HA 1.0 1.8 2.800 831 620 A 86 ARG H A 85 GLN HBx 1.0 1.8 3.808 832 620 A 86 ARG H A 85 GLN HBy 1.0 1.8 3.808 833 621 A 86 ARG H A 85 GLN HGy 1.0 1.8 5.600 834 621 A 85 GLN HGx A 86 ARG H 1.0 1.8 5.600 835 622 A 86 ARG H A 86 ARG HDy 1.0 1.8 5.600 836 622 A 86 ARG H A 86 ARG HDx 1.0 1.8 5.600 837 623 A 61 ARG HA A 87 HIS H 1.0 1.8 5.000 838 624 A 87 HIS H A 62 LEU HBx 1.0 1.8 5.600 839 624 A 62 LEU HBy A 87 HIS H 1.0 1.8 5.600 840 625 A 87 HIS H A 62 LEU HDy% 1.0 1.8 5.600 841 625 A 62 LEU HDx% A 87 HIS H 1.0 1.8 5.600 842 626 A 62 LEU H A 87 HIS H 1.0 1.8 5.000 843 627 A 63 ILE HA A 87 HIS H 1.0 1.8 3.400 844 628 A 86 ARG HA A 87 HIS H 1.0 1.8 2.800 845 629 A 86 ARG H A 87 HIS H 1.0 1.8 5.000 846 630 A 87 HIS H A 87 HIS HBy 1.0 1.8 5.600 847 630 A 87 HIS H A 87 HIS HBx 1.0 1.8 5.600 848 631 A 9 PHE HD% A 88 MET H 1.0 1.8 5.600 849 632 A 88 MET H A 9 PHE HE% 1.0 1.8 5.600 850 633 A 88 MET H A 87 HIS HA 1.0 1.8 2.800 851 634 A 88 MET H A 87 HIS HBy 1.0 1.8 5.600 852 634 A 87 HIS HBx A 88 MET H 1.0 1.8 5.600 853 635 A 88 MET H A 88 MET HBy 1.0 1.8 3.808 854 635 A 88 MET H A 88 MET HBx 1.0 1.8 3.808 855 636 A 88 MET H A 89 PHE H 1.0 1.8 5.000 856 637 A 61 ARG HA A 89 PHE H 1.0 1.8 3.400 857 638 A 62 LEU H A 89 PHE H 1.0 1.8 5.000 858 639 A 88 MET HA A 89 PHE H 1.0 1.8 3.400 859 640 A 89 PHE H A 88 MET HBy 1.0 1.8 5.600 860 640 A 88 MET HBx A 89 PHE H 1.0 1.8 5.600 861 641 A 89 PHE H A 88 MET HGx 1.0 1.8 5.600 862 641 A 89 PHE H A 88 MET HGy 1.0 1.8 5.600 863 642 A 89 PHE H A 89 PHE HBy 1.0 1.8 3.808 864 642 A 89 PHE H A 89 PHE HBx 1.0 1.8 3.808 865 643 A 89 PHE HD% A 89 PHE H 1.0 1.8 3.808 866 644 A 89 PHE H A 89 PHE HE% 1.0 1.8 5.600 867 645 A 91 PHE HE% A 89 PHE H 1.0 1.8 5.600 868 646 A 7 ALA HA A 90 SER H 1.0 1.8 5.000 869 647 A 7 ALA HB% A 90 SER H 1.0 1.8 5.600 870 648 A 8 ILE HB A 90 SER H 1.0 1.8 3.400 871 649 A 8 ILE HD1% A 90 SER H 1.0 1.8 6.000 872 650 A 8 ILE HG2% A 90 SER H 1.0 1.8 6.000 873 651 A 8 ILE H A 90 SER H 1.0 1.8 5.000 874 652 A 9 PHE HA A 90 SER H 1.0 1.8 5.000 875 653 A 90 SER H A 89 PHE HA 1.0 1.8 2.800 876 654 A 90 SER H A 89 PHE HBy 1.0 1.8 3.808 877 654 A 89 PHE HBx A 90 SER H 1.0 1.8 3.808 878 655 A 89 PHE HD% A 90 SER H 1.0 1.8 5.600 879 656 A 89 PHE H A 90 SER H 1.0 1.8 5.000 880 657 A 90 SER H A 90 SER HBy 1.0 1.8 3.808 881 657 A 90 SER HBx A 90 SER H 1.0 1.8 3.808 882 658 A 59 MET HA A 91 PHE H 1.0 1.8 5.000 883 659 A 90 SER HA A 91 PHE H 1.0 1.8 3.400 884 660 A 91 PHE H A 90 SER HBy 1.0 1.8 5.600 885 660 A 90 SER HBx A 91 PHE H 1.0 1.8 5.600 886 661 A 91 PHE H A 90 SER H 1.0 1.8 5.000 887 662 A 91 PHE H A 91 PHE HBy 1.0 1.8 3.808 888 662 A 91 PHE H A 91 PHE HBx 1.0 1.8 3.808 889 663 A 91 PHE HD% A 91 PHE H 1.0 1.8 3.808 890 664 A 91 PHE HE% A 91 PHE H 1.0 1.8 5.600 891 665 A 8 ILE HD1% A 92 ASN HD21 1.0 1.8 6.000 892 666 A 92 ASN HD21 A 92 ASN HBy 1.0 1.8 3.808 893 666 A 92 ASN HD21 A 92 ASN HBx 1.0 1.8 3.808 894 667 A 8 ILE HD1% A 92 ASN HD22 1.0 1.8 6.000 895 668 A 92 ASN HD22 A 92 ASN HBy 1.0 1.8 3.808 896 668 A 92 ASN HBx A 92 ASN HD22 1.0 1.8 3.808 897 669 A 91 PHE HA A 92 ASN H 1.0 1.8 3.400 898 670 A 92 ASN H A 91 PHE HBy 1.0 1.8 5.600 899 670 A 91 PHE HBx A 92 ASN H 1.0 1.8 5.600 900 671 A 91 PHE HD% A 92 ASN H 1.0 1.8 5.600 901 672 A 92 ASN H A 92 ASN HBy 1.0 1.8 3.808 902 672 A 92 ASN HBx A 92 ASN H 1.0 1.8 3.808 903 673 A 92 ASN H A 93 ASN H 1.0 1.8 3.400 904 674 A 93 ASN HD21 A 93 ASN HA 1.0 1.8 5.000 905 675 A 93 ASN HD21 A 93 ASN HBy 1.0 1.8 3.808 906 675 A 93 ASN HD21 A 93 ASN HBx 1.0 1.8 3.808 907 676 A 93 ASN HD21 A 96 VAL HGy% 1.0 1.8 5.600 908 676 A 96 VAL HGx% A 93 ASN HD21 1.0 1.8 5.600 909 677 A 93 ASN HA A 93 ASN HD22 1.0 1.8 5.000 910 678 A 93 ASN HD22 A 93 ASN HBy 1.0 1.8 3.808 911 678 A 93 ASN HBx A 93 ASN HD22 1.0 1.8 3.808 912 679 A 93 ASN HD22 A 96 VAL HGy% 1.0 1.8 5.600 913 679 A 96 VAL HGx% A 93 ASN HD22 1.0 1.8 5.600 914 680 A 93 ASN H A 91 PHE HBy 1.0 1.8 3.808 915 680 A 91 PHE HBx A 93 ASN H 1.0 1.8 3.808 916 681 A 91 PHE HD% A 93 ASN H 1.0 1.8 5.600 917 682 A 91 PHE H A 93 ASN H 1.0 1.8 5.000 918 683 A 93 ASN H A 92 ASN HA 1.0 1.8 3.400 919 684 A 93 ASN H A 94 ARG H 1.0 1.8 5.000 920 685 A 96 VAL HB A 93 ASN H 1.0 1.8 5.000 921 686 A 93 ASN H A 96 VAL HGy% 1.0 1.8 5.600 922 686 A 96 VAL HGx% A 93 ASN H 1.0 1.8 5.600 923 687 A 93 ASN H A 97 MET HGy 1.0 1.8 5.600 924 687 A 93 ASN H A 97 MET HGx 1.0 1.8 5.600 925 688 A 94 ARG HE A 94 ARG HBy 1.0 1.8 5.600 926 688 A 94 ARG HE A 94 ARG HBx 1.0 1.8 5.600 927 689 A 94 ARG HE A 94 ARG HGy 1.0 1.8 5.600 928 689 A 94 ARG HE A 94 ARG HGx 1.0 1.8 5.600 929 690 A 93 ASN HA A 94 ARG H 1.0 1.8 3.400 930 691 A 94 ARG H A 93 ASN HBy 1.0 1.8 5.600 931 691 A 93 ASN HBx A 94 ARG H 1.0 1.8 5.600 932 692 A 94 ARG H A 94 ARG HBy 1.0 1.8 3.808 933 692 A 94 ARG H A 94 ARG HBx 1.0 1.8 3.808 934 693 A 94 ARG H A 94 ARG HGy 1.0 1.8 5.600 935 693 A 94 ARG H A 94 ARG HGx 1.0 1.8 5.600 936 694 A 94 ARG H A 95 THR H 1.0 1.8 5.000 937 695 A 94 ARG H A 96 VAL H 1.0 1.8 5.000 938 696 A 93 ASN HA A 95 THR H 1.0 1.8 3.400 939 697 A 95 THR H A 93 ASN HBy 1.0 1.8 5.600 940 697 A 93 ASN HBx A 95 THR H 1.0 1.8 5.600 941 698 A 95 THR H A 94 ARG HA 1.0 1.8 3.400 942 699 A 95 THR H A 94 ARG HBy 1.0 1.8 3.808 943 699 A 94 ARG HBx A 95 THR H 1.0 1.8 3.808 944 700 A 95 THR H A 94 ARG HGy 1.0 1.8 5.600 945 700 A 94 ARG HGx A 95 THR H 1.0 1.8 5.600 946 701 A 95 THR H A 95 THR HB 1.0 1.8 2.800 947 702 A 95 THR H A 95 THR HG2% 1.0 1.8 4.080 948 703 A 95 THR H A 96 VAL H 1.0 1.8 3.400 949 704 A 95 THR H A 97 MET H 1.0 1.8 5.000 950 705 A 95 THR H A 98 ASP H 1.0 1.8 5.000 951 706 A 96 VAL H A 93 ASN HBy 1.0 1.8 5.600 952 706 A 93 ASN HBx A 96 VAL H 1.0 1.8 5.600 953 707 A 93 ASN HD21 A 96 VAL H 1.0 1.8 5.000 954 708 A 96 VAL H A 95 THR HA 1.0 1.8 5.000 955 709 A 96 VAL H A 95 THR HB 1.0 1.8 3.400 956 710 A 96 VAL HB A 96 VAL H 1.0 1.8 3.400 957 711 A 96 VAL H A 96 VAL HGy% 1.0 1.8 3.136 958 711 A 96 VAL HGx% A 96 VAL H 1.0 1.8 3.136 959 712 A 96 VAL H A 97 MET H 1.0 1.8 3.400 960 713 A 96 VAL H A 98 ASP H 1.0 1.8 5.000 961 714 A 97 MET H A 91 PHE HBy 1.0 1.8 5.600 962 714 A 91 PHE HBx A 97 MET H 1.0 1.8 5.600 963 715 A 91 PHE HD% A 97 MET H 1.0 1.8 3.808 964 716 A 94 ARG HA A 97 MET H 1.0 1.8 3.400 965 717 A 97 MET H A 96 VAL HA 1.0 1.8 5.000 966 718 A 97 MET H A 96 VAL HGy% 1.0 1.8 3.808 967 718 A 96 VAL HGx% A 97 MET H 1.0 1.8 3.808 968 719 A 97 MET H A 97 MET HBy 1.0 1.8 3.808 969 719 A 97 MET H A 97 MET HBx 1.0 1.8 3.808 970 720 A 97 MET H A 97 MET HGy 1.0 1.8 3.808 971 720 A 97 MET HGx A 97 MET H 1.0 1.8 3.808 972 721 A 97 MET H A 98 ASP H 1.0 1.8 3.400 973 722 A 97 MET H A 99 ASN H 1.0 1.8 5.000 974 723 A 94 ARG HA A 98 ASP H 1.0 1.8 5.000 975 724 A 98 ASP H A 95 THR HA 1.0 1.8 3.400 976 725 A 95 THR HG2% A 98 ASP H 1.0 1.8 6.000 977 726 A 98 ASP H A 97 MET HBy 1.0 1.8 3.808 978 726 A 98 ASP H A 97 MET HBx 1.0 1.8 3.808 979 727 A 97 MET HE% A 98 ASP H 1.0 1.8 5.600 980 728 A 98 ASP H A 97 MET HGy 1.0 1.8 3.808 981 728 A 97 MET HGx A 98 ASP H 1.0 1.8 3.808 982 729 A 98 ASP H A 98 ASP HBy 1.0 1.8 3.808 983 729 A 98 ASP H A 98 ASP HBx 1.0 1.8 3.808 984 730 A 98 ASP H A 99 ASN H 1.0 1.8 3.400 985 731 A 96 VAL HA A 99 ASN HD21 1.0 1.8 5.000 986 732 A 99 ASN HD21 A 99 ASN HA 1.0 1.8 5.000 987 733 A 99 ASN HD21 A 99 ASN HBx 1.0 1.8 3.808 988 733 A 99 ASN HD21 A 99 ASN HBy 1.0 1.8 3.808 989 734 A 95 THR HG2% A 99 ASN HD22 1.0 1.8 4.080 990 735 A 96 VAL HA A 99 ASN HD22 1.0 1.8 5.000 991 736 A 99 ASN HA A 99 ASN HD22 1.0 1.8 5.000 992 737 A 99 ASN HD22 A 99 ASN HBx 1.0 1.8 5.600 993 737 A 99 ASN HBy A 99 ASN HD22 1.0 1.8 5.600 994 738 A 95 THR HA A 99 ASN H 1.0 1.8 5.000 995 739 A 96 VAL HA A 99 ASN H 1.0 1.8 3.400 996 740 A 99 ASN H A 97 MET HA 1.0 1.8 5.000 997 741 A 99 ASN H A 98 ASP HA 1.0 1.8 3.400 998 742 A 99 ASN H A 98 ASP HBy 1.0 1.8 3.808 999 742 A 99 ASN H A 98 ASP HBx 1.0 1.8 3.808 1000 743 A 99 ASN H A 99 ASN HBx 1.0 1.8 3.808 1001 743 A 99 ASN H A 99 ASN HBy 1.0 1.8 3.808 1002 744 A 99 ASN H A 101 LYS H 1.0 1.8 5.000 1003 745 A 100 ILE H A 60 LEU HDx% 1.0 1.8 6.000 1004 746 A 98 ASP H A 100 ILE H 1.0 1.8 5.000 1005 747 A 99 ASN HA A 100 ILE H 1.0 1.8 5.000 1006 748 A 100 ILE H A 99 ASN HBx 1.0 1.8 3.808 1007 748 A 99 ASN HBy A 100 ILE H 1.0 1.8 3.808 1008 749 A 99 ASN HD21 A 100 ILE H 1.0 1.8 5.000 1009 750 A 100 ILE H A 100 ILE HB 1.0 1.8 3.400 1010 751 A 100 ILE HD1% A 100 ILE H 1.0 1.8 6.000 1011 752 A 100 ILE H A 100 ILE HG1y 1.0 1.8 4.080 1012 752 A 100 ILE H A 100 ILE HG1x 1.0 1.8 4.080 1013 753 A 100 ILE H A 100 ILE HG2% 1.0 1.8 6.000 1014 754 A 101 LYS H A 100 ILE H 1.0 1.8 3.400 1015 755 A 101 LYS H A 60 LEU HDx% 1.0 1.8 4.080 1016 756 A 101 LYS H A 60 LEU HDy% 1.0 1.8 5.600 1017 757 A 98 ASP HA A 101 LYS H 1.0 1.8 5.000 1018 758 A 101 LYS H A 100 ILE HB 1.0 1.8 3.400 1019 759 A 100 ILE HD1% A 101 LYS H 1.0 1.8 6.000 1020 760 A 101 LYS H A 100 ILE HG2% 1.0 1.8 4.080 1021 761 A 101 LYS H A 101 LYS HBx 1.0 1.8 5.600 1022 761 A 101 LYS H A 101 LYS HBy 1.0 1.8 5.600 1023 762 A 101 LYS H A 101 LYS HDy 1.0 1.8 5.600 1024 762 A 101 LYS H A 101 LYS HDx 1.0 1.8 5.600 1025 763 A 101 LYS H A 102 MET H 1.0 1.8 3.400 1026 764 A 102 MET H A 60 LEU HDx% 1.0 1.8 6.000 1027 765 A 98 ASP HA A 102 MET H 1.0 1.8 5.000 1028 766 A 99 ASN HA A 102 MET H 1.0 1.8 5.000 1029 767 A 100 ILE HG2% A 102 MET H 1.0 1.8 6.000 1030 768 A 102 MET H A 101 LYS HA 1.0 1.8 5.000 1031 769 A 102 MET H A 101 LYS HDy 1.0 1.8 5.600 1032 769 A 101 LYS HDx A 102 MET H 1.0 1.8 5.600 1033 770 A 102 MET H A 101 LYS HEy 1.0 1.8 5.600 1034 770 A 102 MET H A 101 LYS HEx 1.0 1.8 5.600 1035 771 A 102 MET H A 101 LYS HGx 1.0 1.8 5.600 1036 771 A 102 MET H A 101 LYS HGy 1.0 1.8 5.600 1037 772 A 102 MET H A 102 MET HBy 1.0 1.8 3.808 1038 772 A 102 MET H A 102 MET HBx 1.0 1.8 3.808 1039 773 A 102 MET H A 102 MET HGy 1.0 1.8 3.808 1040 773 A 102 MET H A 102 MET HGx 1.0 1.8 3.808 1041 774 A 102 MET H A 103 THR HA 1.0 1.8 5.000 1042 775 A 102 MET H A 103 THR H 1.0 1.8 3.400 1043 776 A 102 MET H A 104 LEU H 1.0 1.8 5.000 1044 777 A 102 MET H A 105 GLN H 1.0 1.8 5.000 1045 778 A 99 ASN HA A 103 THR H 1.0 1.8 5.000 1046 779 A 103 THR H A 100 ILE HA 1.0 1.8 3.400 1047 780 A 100 ILE HD1% A 103 THR H 1.0 1.8 6.000 1048 781 A 103 THR H A 102 MET HA 1.0 1.8 5.000 1049 782 A 103 THR H A 102 MET HBy 1.0 1.8 3.808 1050 782 A 102 MET HBx A 103 THR H 1.0 1.8 3.808 1051 783 A 103 THR H A 102 MET HGy 1.0 1.8 5.600 1052 783 A 102 MET HGx A 103 THR H 1.0 1.8 5.600 1053 784 A 103 THR H A 103 THR HB 1.0 1.8 3.400 1054 785 A 103 THR H A 103 THR HG2% 1.0 1.8 4.080 1055 786 A 103 THR H A 104 LEU H 1.0 1.8 3.400 1056 787 A 103 THR H A 105 GLN H 1.0 1.8 5.000 1057 788 A 48 LEU HDx% A 104 LEU H 1.0 1.8 6.000 1058 789 A 104 LEU H A 103 THR HB 1.0 1.8 3.400 1059 790 A 104 LEU H A 104 LEU HB2 1.0 1.8 3.808 1060 790 A 104 LEU H A 104 LEU HB3 1.0 1.8 3.808 1061 791 A 104 LEU H A 104 LEU HG 1.0 1.8 3.400 1062 792 A 104 LEU H A 105 GLN H 1.0 1.8 5.000 1063 793 A 105 GLN HE21 A 105 GLN HGy 1.0 1.8 5.600 1064 793 A 105 GLN HE21 A 105 GLN HGx 1.0 1.8 5.600 1065 794 A 105 GLN HE22 A 48 LEU HDy% 1.0 1.8 3.808 1066 794 A 48 LEU HDx% A 105 GLN HE22 1.0 1.8 3.808 1067 795 A 105 GLN HE22 A 105 GLN HGy 1.0 1.8 5.600 1068 795 A 105 GLN HGx A 105 GLN HE22 1.0 1.8 5.600 1069 796 A 105 GLN H A 102 MET HA 1.0 1.8 5.000 1070 797 A 105 GLN H A 105 GLN HBy 1.0 1.8 3.808 1071 797 A 105 GLN H A 105 GLN HBx 1.0 1.8 3.808 1072 798 A 105 GLN H A 105 GLN HGy 1.0 1.8 3.808 1073 798 A 105 GLN H A 105 GLN HGx 1.0 1.8 3.808 1074 799 A 105 GLN H A 106 GLN H 1.0 1.8 3.400 1075 800 A 103 THR HA A 106 GLN HE21 1.0 1.8 5.000 1076 801 A 106 GLN HE21 A 106 GLN HGx 1.0 1.8 5.600 1077 801 A 106 GLN HE21 A 106 GLN HGy 1.0 1.8 5.600 1078 802 A 103 THR HA A 106 GLN HE22 1.0 1.8 5.000 1079 803 A 106 GLN HE22 A 106 GLN HGx 1.0 1.8 3.808 1080 803 A 106 GLN HGy A 106 GLN HE22 1.0 1.8 3.808 1081 804 A 102 MET HA A 106 GLN H 1.0 1.8 5.000 1082 805 A 103 THR HA A 106 GLN H 1.0 1.8 3.400 1083 806 A 103 THR HG2% A 106 GLN H 1.0 1.8 6.000 1084 807 A 104 LEU H A 106 GLN H 1.0 1.8 5.000 1085 808 A 106 GLN H A 105 GLN HA 1.0 1.8 5.000 1086 809 A 106 GLN H A 106 GLN HBy 1.0 1.8 3.808 1087 809 A 106 GLN H A 106 GLN HBx 1.0 1.8 3.808 1088 810 A 106 GLN H A 106 GLN HGx 1.0 1.8 3.808 1089 810 A 106 GLN H A 106 GLN HGy 1.0 1.8 3.808 1090 811 A 106 GLN H A 107 ILE H 1.0 1.8 3.400 1091 812 A 107 ILE H A 106 GLN HA 1.0 1.8 5.000 1092 813 A 107 ILE H A 106 GLN HBy 1.0 1.8 3.808 1093 813 A 106 GLN HBx A 107 ILE H 1.0 1.8 3.808 1094 814 A 107 ILE H A 107 ILE HB 1.0 1.8 3.400 1095 815 A 107 ILE H A 107 ILE HD1% 1.0 1.8 4.080 1096 816 A 107 ILE H A 108 ILE H 1.0 1.8 3.400 1097 817 A 105 GLN HA A 108 ILE H 1.0 1.8 5.000 1098 818 A 106 GLN HA A 108 ILE H 1.0 1.8 5.000 1099 819 A 106 GLN H A 108 ILE H 1.0 1.8 5.000 1100 820 A 108 ILE H A 107 ILE HA 1.0 1.8 5.000 1101 821 A 107 ILE HD1% A 108 ILE H 1.0 1.8 6.000 1102 822 A 108 ILE H A 107 ILE HG2% 1.0 1.8 4.080 1103 823 A 108 ILE H A 108 ILE HB 1.0 1.8 2.800 1104 824 A 108 ILE H A 108 ILE HG1x 1.0 1.8 4.080 1105 824 A 108 ILE H A 108 ILE HG1y 1.0 1.8 4.080 1106 825 A 108 ILE H A 109 SER H 1.0 1.8 3.400 1107 826 A 105 GLN HA A 109 SER H 1.0 1.8 5.000 1108 827 A 107 ILE HA A 109 SER H 1.0 1.8 5.000 1109 828 A 109 SER H A 108 ILE HA 1.0 1.8 3.400 1110 829 A 108 ILE HB A 109 SER H 1.0 1.8 3.400 1111 830 A 109 SER H A 108 ILE HG1x 1.0 1.8 4.080 1112 830 A 108 ILE HG1y A 109 SER H 1.0 1.8 4.080 1113 831 A 109 SER H A 108 ILE HG2% 1.0 1.8 4.080 1114 832 A 109 SER H A 109 SER HBx 1.0 1.8 3.808 1115 832 A 109 SER H A 109 SER HBy 1.0 1.8 3.808 1116 833 A 109 SER H A 110 ARG H 1.0 1.8 3.400 1117 834 A 109 SER H A 111 TYR H 1.0 1.8 5.000 1118 835 A 110 ARG HE A 110 ARG HGy 1.0 1.8 5.600 1119 835 A 110 ARG HE A 110 ARG HGx 1.0 1.8 5.600 1120 836 A 107 ILE HA A 110 ARG H 1.0 1.8 5.000 1121 837 A 107 ILE HG2% A 110 ARG H 1.0 1.8 6.000 1122 838 A 108 ILE HA A 110 ARG H 1.0 1.8 5.000 1123 839 A 108 ILE HG2% A 110 ARG H 1.0 1.8 6.000 1124 840 A 108 ILE H A 110 ARG H 1.0 1.8 5.000 1125 841 A 110 ARG H A 109 SER HA 1.0 1.8 3.400 1126 842 A 110 ARG H A 109 SER HBx 1.0 1.8 3.808 1127 842 A 109 SER HBy A 110 ARG H 1.0 1.8 3.808 1128 843 A 110 ARG H A 110 ARG HDy 1.0 1.8 5.600 1129 843 A 110 ARG H A 110 ARG HDx 1.0 1.8 5.600 1130 844 A 110 ARG H A 110 ARG HGy 1.0 1.8 3.808 1131 844 A 110 ARG H A 110 ARG HGx 1.0 1.8 3.808 1132 845 A 110 ARG H A 111 TYR H 1.0 1.8 3.400 1133 846 A 110 ARG H A 113 ASP H 1.0 1.8 5.000 1134 847 A 107 ILE HG2% A 111 TYR H 1.0 1.8 6.000 1135 848 A 108 ILE HA A 111 TYR H 1.0 1.8 3.400 1136 849 A 108 ILE HG2% A 111 TYR H 1.0 1.8 6.000 1137 850 A 111 TYR H A 109 SER HA 1.0 1.8 5.000 1138 851 A 111 TYR H A 110 ARG HA 1.0 1.8 3.400 1139 852 A 111 TYR H A 110 ARG HBx 1.0 1.8 3.808 1140 852 A 111 TYR H A 110 ARG HBy 1.0 1.8 3.808 1141 853 A 111 TYR H A 110 ARG HGy 1.0 1.8 5.600 1142 853 A 111 TYR H A 110 ARG HGx 1.0 1.8 5.600 1143 854 A 111 TYR H A 111 TYR HA 1.0 1.8 3.400 1144 855 A 111 TYR H A 111 TYR HBy 1.0 1.8 3.808 1145 855 A 111 TYR H A 111 TYR HBx 1.0 1.8 3.808 1146 856 A 111 TYR HD% A 111 TYR H 1.0 1.8 3.808 1147 857 A 111 TYR HE% A 111 TYR H 1.0 1.8 5.600 1148 858 A 111 TYR H A 112 LYS HA 1.0 1.8 5.000 1149 859 A 111 TYR H A 113 ASP H 1.0 1.8 5.000 1150 860 A 108 ILE HG2% A 112 LYS H 1.0 1.8 6.000 1151 861 A 109 SER HA A 112 LYS H 1.0 1.8 3.400 1152 862 A 112 LYS H A 109 SER HBx 1.0 1.8 5.600 1153 862 A 109 SER HBy A 112 LYS H 1.0 1.8 5.600 1154 863 A 110 ARG HA A 112 LYS H 1.0 1.8 5.000 1155 864 A 110 ARG H A 112 LYS H 1.0 1.8 5.000 1156 865 A 111 TYR HA A 112 LYS H 1.0 1.8 5.000 1157 866 A 112 LYS H A 111 TYR HBy 1.0 1.8 5.600 1158 866 A 111 TYR HBx A 112 LYS H 1.0 1.8 5.600 1159 867 A 111 TYR HD% A 112 LYS H 1.0 1.8 5.600 1160 868 A 111 TYR H A 112 LYS H 1.0 1.8 3.400 1161 869 A 112 LYS HA A 112 LYS H 1.0 1.8 3.400 1162 870 A 112 LYS H A 112 LYS HBy 1.0 1.8 3.808 1163 870 A 112 LYS H A 112 LYS HBx 1.0 1.8 3.808 1164 871 A 112 LYS H A 112 LYS HEy 1.0 1.8 3.808 1165 871 A 112 LYS H A 112 LYS HEx 1.0 1.8 3.808 1166 872 A 112 LYS H A 112 LYS HGy 1.0 1.8 3.808 1167 872 A 112 LYS H A 112 LYS HGx 1.0 1.8 3.808 1168 873 A 113 ASP H A 112 LYS H 1.0 1.8 3.400 1169 874 A 109 SER HA A 113 ASP H 1.0 1.8 5.000 1170 875 A 113 ASP H A 109 SER HBx 1.0 1.8 5.600 1171 875 A 109 SER HBy A 113 ASP H 1.0 1.8 5.600 1172 876 A 113 ASP H A 110 ARG HA 1.0 1.8 5.000 1173 877 A 113 ASP H A 111 TYR HBy 1.0 1.8 5.600 1174 877 A 113 ASP H A 111 TYR HBx 1.0 1.8 5.600 1175 878 A 113 ASP H A 112 LYS HA 1.0 1.8 3.400 1176 879 A 113 ASP H A 112 LYS HBy 1.0 1.8 3.808 1177 879 A 113 ASP H A 112 LYS HBx 1.0 1.8 3.808 1178 880 A 113 ASP H A 112 LYS HDy 1.0 1.8 3.808 1179 880 A 113 ASP H A 112 LYS HDx 1.0 1.8 3.808 1180 881 A 113 ASP H A 112 LYS HEy 1.0 1.8 5.600 1181 881 A 113 ASP H A 112 LYS HEx 1.0 1.8 5.600 1182 882 A 113 ASP H A 112 LYS HGy 1.0 1.8 5.600 1183 882 A 113 ASP H A 112 LYS HGx 1.0 1.8 5.600 1184 883 A 113 ASP H A 113 ASP HA 1.0 1.8 2.800 1185 884 A 113 ASP H A 113 ASP HBx 1.0 1.8 3.136 1186 884 A 113 ASP H A 113 ASP HBy 1.0 1.8 3.136 1187 885 A 113 ASP H A 114 ALA H 1.0 1.8 3.400 1188 886 A 111 TYR HD% A 114 ALA H 1.0 1.8 5.600 1189 887 A 111 TYR H A 114 ALA H 1.0 1.8 5.000 1190 888 A 112 LYS H A 114 ALA H 1.0 1.8 3.400 1191 889 A 113 ASP HA A 114 ALA H 1.0 1.8 3.400 1192 890 A 114 ALA H A 113 ASP HBx 1.0 1.8 3.136 1193 890 A 113 ASP HBy A 114 ALA H 1.0 1.8 3.136 1194 891 A 114 ALA H A 114 ALA HA 1.0 1.8 2.800 1195 892 A 114 ALA H A 114 ALA HB% 1.0 1.8 3.136 1196 893 A 115 ASP H A 112 LYS HDy 1.0 1.8 5.600 1197 893 A 112 LYS HDx A 115 ASP H 1.0 1.8 5.600 1198 894 A 115 ASP H A 112 LYS HGy 1.0 1.8 5.600 1199 894 A 112 LYS HGx A 115 ASP H 1.0 1.8 5.600 1200 895 A 114 ALA HA A 115 ASP H 1.0 1.8 3.400 1201 896 A 114 ALA H A 115 ASP H 1.0 1.8 2.800 1202 897 A 115 ASP H A 115 ASP HBy 1.0 1.8 3.136 1203 897 A 115 ASP H A 115 ASP HBx 1.0 1.8 3.136 1204 898 A 2 SER HA A 99 ASN HBx 1.0 1.8 5.600 1205 898 A 2 SER HA A 99 ASN HBy 1.0 1.8 5.600 1206 899 A 2 SER HA A 2 SER HBx 1.0 1.8 3.136 1207 899 A 2 SER HBy A 2 SER HA 1.0 1.8 3.136 1208 900 A 3 HIS HA A 3 HIS HD2 1.0 1.8 3.400 1209 901 A 3 HIS HA A 18 ILE HD1% 1.0 1.8 3.360 1210 902 A 3 HIS HA A 18 ILE HG2% 1.0 1.8 4.080 1211 903 A 3 HIS HA A 3 HIS HBy 1.0 1.8 3.808 1212 903 A 3 HIS HA A 3 HIS HBx 1.0 1.8 3.808 1213 904 A 3 HIS HD2 A 3 HIS HBy 1.0 1.8 3.808 1214 904 A 3 HIS HD2 A 3 HIS HBx 1.0 1.8 3.808 1215 905 A 4 SER HA A 4 SER HBy 1.0 1.8 3.136 1216 905 A 4 SER HBx A 4 SER HA 1.0 1.8 3.136 1217 906 A 4 SER HA A 16 ILE HG2% 1.0 1.8 4.080 1218 907 A 4 SER HA A 17 ALA HB% 1.0 1.8 3.808 1219 908 A 100 ILE HD1% A 4 SER HA 1.0 1.8 4.080 1220 909 A 15 ILE HG2% A 4 SER HBy 1.0 1.8 4.570 1221 909 A 4 SER HBx A 15 ILE HG2% 1.0 1.8 4.570 1222 910 A 17 ALA HA A 4 SER HBy 1.0 1.8 3.808 1223 910 A 4 SER HBx A 17 ALA HA 1.0 1.8 3.808 1224 911 A 100 ILE HD1% A 4 SER HBy 1.0 1.8 6.720 1225 911 A 4 SER HBx A 100 ILE HD1% 1.0 1.8 6.720 1226 912 A 15 ILE HD1% A 5 GLY HAx 1.0 1.8 6.720 1227 912 A 5 GLY HAy A 15 ILE HD1% 1.0 1.8 6.720 1228 913 A 96 VAL HGx% A 5 GLY HAy 1.0 1.8 4.570 1229 913 A 96 VAL HGx% A 5 GLY HAx 1.0 1.8 4.570 1230 914 A 15 ILE HA A 6 ALA HA 1.0 1.8 2.800 1231 915 A 6 ALA HA A 15 ILE HG1x 1.0 1.8 6.000 1232 915 A 6 ALA HA A 15 ILE HG1y 1.0 1.8 6.000 1233 916 A 6 ALA HB% A 7 ALA HA 1.0 1.8 5.600 1234 917 A 15 ILE HA A 6 ALA HB% 1.0 1.8 3.808 1235 918 A 6 ALA HB% A 15 ILE HG2% 1.0 1.8 3.763 1236 919 A 96 VAL HGx% A 6 ALA HB% 1.0 1.8 4.570 1237 920 A 7 ALA HA A 91 PHE HA 1.0 1.8 3.400 1238 921 A 7 ALA HA A 91 PHE HD% 1.0 1.8 5.600 1239 922 A 7 ALA HB% A 8 ILE HA 1.0 1.8 5.600 1240 923 A 7 ALA HB% A 16 ILE HD1% 1.0 1.8 3.763 1241 924 A 7 ALA HB% A 16 ILE HG1x 1.0 1.8 6.720 1242 924 A 7 ALA HB% A 16 ILE HG1y 1.0 1.8 6.720 1243 925 A 7 ALA HB% A 29 TRP HD1 1.0 1.8 5.600 1244 926 A 7 ALA HB% A 89 PHE HA 1.0 1.8 5.600 1245 927 A 7 ALA HB% A 89 PHE HBy 1.0 1.8 4.265 1246 927 A 7 ALA HB% A 89 PHE HBx 1.0 1.8 4.265 1247 928 A 7 ALA HB% A 91 PHE HA 1.0 1.8 5.600 1248 929 A 7 ALA HB% A 91 PHE HD% 1.0 1.8 4.265 1249 930 A 7 ALA HB% A 91 PHE HE% 1.0 1.8 3.512 1250 931 A 8 ILE HA A 13 SER HA 1.0 1.8 2.800 1251 932 A 8 ILE HB A 90 SER HBy 1.0 1.8 3.808 1252 932 A 8 ILE HB A 90 SER HBx 1.0 1.8 3.808 1253 933 A 7 ALA HA A 8 ILE HD1% 1.0 1.8 4.080 1254 934 A 8 ILE HD1% A 8 ILE HA 1.0 1.8 3.360 1255 935 A 8 ILE HD1% A 8 ILE HG2% 1.0 1.8 4.032 1256 936 A 8 ILE HD1% A 90 SER HBy 1.0 1.8 4.570 1257 936 A 8 ILE HD1% A 90 SER HBx 1.0 1.8 4.570 1258 937 A 8 ILE HA A 8 ILE HG1y 1.0 1.8 4.080 1259 937 A 8 ILE HG1x A 8 ILE HA 1.0 1.8 4.080 1260 938 A 8 ILE HG2% A 8 ILE HA 1.0 1.8 3.360 1261 939 A 8 ILE HG2% A 8 ILE HG1y 1.0 1.8 4.032 1262 939 A 8 ILE HG1x A 8 ILE HG2% 1.0 1.8 4.032 1263 940 A 8 ILE HG2% A 12 VAL HA 1.0 1.8 6.000 1264 941 A 8 ILE HG2% A 90 SER HBy 1.0 1.8 4.570 1265 941 A 8 ILE HG2% A 90 SER HBx 1.0 1.8 4.570 1266 942 A 9 PHE HD% A 9 PHE HA 1.0 1.8 5.600 1267 943 A 89 PHE HD% A 9 PHE HA 1.0 1.8 5.600 1268 944 A 10 GLU HA A 10 GLU HGy 1.0 1.8 3.808 1269 944 A 10 GLU HGx A 10 GLU HA 1.0 1.8 3.808 1270 945 A 10 GLU HA A 10 GLU HBx 1.0 1.8 3.808 1271 945 A 10 GLU HBy A 10 GLU HA 1.0 1.8 3.808 1272 946 A 8 ILE HG2% A 11 LYS HA 1.0 1.8 3.360 1273 947 A 11 LYS HA A 11 LYS HDy 1.0 1.8 5.600 1274 947 A 11 LYS HA A 11 LYS HDx 1.0 1.8 5.600 1275 948 A 11 LYS HA A 11 LYS HGx 1.0 1.8 3.136 1276 948 A 11 LYS HGy A 11 LYS HA 1.0 1.8 3.136 1277 949 A 11 LYS HA A 11 LYS HBx 1.0 1.8 3.808 1278 949 A 11 LYS HBy A 11 LYS HA 1.0 1.8 3.808 1279 950 A 11 LYS HBx A 11 LYS HEy 1.0 1.8 6.272 1280 950 A 11 LYS HBy A 11 LYS HEy 1.0 1.8 6.272 1281 950 A 11 LYS HEx A 11 LYS HBx 1.0 1.8 6.272 1282 950 A 11 LYS HBy A 11 LYS HEx 1.0 1.8 6.272 1283 951 A 8 ILE HG2% A 11 LYS HGx 1.0 1.8 6.720 1284 951 A 8 ILE HG2% A 11 LYS HGy 1.0 1.8 6.720 1285 952 A 10 GLU HA A 11 LYS HGx 1.0 1.8 5.600 1286 952 A 10 GLU HA A 11 LYS HGy 1.0 1.8 5.600 1287 953 A 12 VAL HB A 12 VAL HA 1.0 1.8 3.400 1288 954 A 12 VAL HA A 12 VAL HGx% 1.0 1.8 3.360 1289 955 A 12 VAL HB A 29 TRP HH2 1.0 1.8 3.400 1290 956 A 12 VAL HB A 29 TRP HZ2 1.0 1.8 5.000 1291 957 A 12 VAL HGx% A 31 SER HA 1.0 1.8 3.360 1292 958 A 12 VAL HGx% A 36 LYS HD2 1.0 1.8 4.570 1293 958 A 12 VAL HGx% A 36 LYS HD3 1.0 1.8 4.570 1294 959 A 12 VAL HGy% A 12 VAL HA 1.0 1.8 3.360 1295 960 A 12 VAL HGy% A 36 LYS HEx 1.0 1.8 4.570 1296 960 A 12 VAL HGy% A 36 LYS HEy 1.0 1.8 4.570 1297 961 A 8 ILE HD1% A 13 SER HA 1.0 1.8 4.080 1298 962 A 13 SER HA A 8 ILE HG1y 1.0 1.8 4.080 1299 962 A 8 ILE HG1x A 13 SER HA 1.0 1.8 4.080 1300 963 A 8 ILE HG2% A 13 SER HA 1.0 1.8 4.080 1301 964 A 8 ILE HD1% A 13 SER HBx 1.0 1.8 4.570 1302 964 A 8 ILE HD1% A 13 SER HBy 1.0 1.8 4.570 1303 965 A 13 SER HA A 13 SER HBx 1.0 1.8 3.136 1304 965 A 13 SER HA A 13 SER HBy 1.0 1.8 3.136 1305 966 A 15 ILE HA A 7 ALA HB% 1.0 1.8 5.600 1306 967 A 15 ILE HA A 15 ILE HG1x 1.0 1.8 6.000 1307 967 A 15 ILE HA A 15 ILE HG1y 1.0 1.8 6.000 1308 968 A 6 ALA HA A 15 ILE HD1% 1.0 1.8 3.360 1309 969 A 6 ALA HB% A 15 ILE HD1% 1.0 1.8 3.763 1310 970 A 15 ILE HA A 15 ILE HD1% 1.0 1.8 3.360 1311 971 A 32 THR HA A 15 ILE HD1% 1.0 1.8 4.080 1312 972 A 4 SER HA A 15 ILE HG2% 1.0 1.8 6.000 1313 973 A 16 ILE HA A 16 ILE HB 1.0 1.8 3.400 1314 974 A 16 ILE HA A 16 ILE HD1% 1.0 1.8 6.000 1315 975 A 16 ILE HA A 16 ILE HG1x 1.0 1.8 4.080 1316 975 A 16 ILE HA A 16 ILE HG1y 1.0 1.8 4.080 1317 976 A 16 ILE HA A 29 TRP HA 1.0 1.8 3.400 1318 977 A 16 ILE HA A 29 TRP HD1 1.0 1.8 5.000 1319 978 A 16 ILE HB A 7 ALA HB% 1.0 1.8 3.808 1320 979 A 16 ILE HB A 16 ILE HD1% 1.0 1.8 6.000 1321 980 A 16 ILE HB A 29 TRP HA 1.0 1.8 5.000 1322 981 A 100 ILE HD1% A 16 ILE HB 1.0 1.8 4.080 1323 982 A 16 ILE HD1% A 27 LEU HG 1.0 1.8 6.000 1324 983 A 16 ILE HD1% A 89 PHE HBy 1.0 1.8 6.720 1325 983 A 16 ILE HD1% A 89 PHE HBx 1.0 1.8 6.720 1326 984 A 91 PHE HE% A 16 ILE HD1% 1.0 1.8 6.720 1327 985 A 100 ILE HD1% A 16 ILE HD1% 1.0 1.8 4.896 1328 986 A 29 TRP HA A 16 ILE HG1x 1.0 1.8 6.000 1329 986 A 29 TRP HA A 16 ILE HG1y 1.0 1.8 6.000 1330 987 A 16 ILE HA A 16 ILE HG2% 1.0 1.8 4.080 1331 988 A 27 LEU HDx% A 16 ILE HG2% 1.0 1.8 4.032 1332 989 A 91 PHE HE% A 16 ILE HG2% 1.0 1.8 6.720 1333 990 A 17 ALA HA A 4 SER HA 1.0 1.8 2.800 1334 991 A 17 ALA HA A 16 ILE HG2% 1.0 1.8 4.080 1335 992 A 17 ALA HB% A 4 SER HBy 1.0 1.8 3.512 1336 992 A 4 SER HBx A 17 ALA HB% 1.0 1.8 3.512 1337 993 A 17 ALA HB% A 15 ILE HG2% 1.0 1.8 3.763 1338 994 A 17 ALA HB% A 28 THR HB 1.0 1.8 3.808 1339 995 A 18 ILE HA A 18 ILE HG1y 1.0 1.8 6.000 1340 995 A 18 ILE HG1x A 18 ILE HA 1.0 1.8 6.000 1341 996 A 18 ILE HA A 27 LEU HA 1.0 1.8 3.400 1342 997 A 3 HIS HA A 18 ILE HB 1.0 1.8 5.000 1343 998 A 18 ILE HB A 3 HIS HBy 1.0 1.8 5.600 1344 998 A 18 ILE HB A 3 HIS HBx 1.0 1.8 5.600 1345 999 A 18 ILE HB A 3 HIS HD2 1.0 1.8 3.400 1346 1000 A 3 HIS HD2 A 18 ILE HD1% 1.0 1.8 4.080 1347 1001 A 100 ILE HD1% A 18 ILE HD1% 1.0 1.8 4.032 1348 1002 A 103 THR HB A 18 ILE HD1% 1.0 1.8 3.360 1349 1003 A 18 ILE HD1% A 104 LEU HA 1.0 1.8 4.080 1350 1004 A 18 ILE HG2% A 3 HIS HD2 1.0 1.8 4.080 1351 1005 A 18 ILE HA A 18 ILE HG2% 1.0 1.8 3.360 1352 1006 A 18 ILE HG2% A 20 GLU HGx 1.0 1.8 4.570 1353 1006 A 18 ILE HG2% A 20 GLU HGy 1.0 1.8 4.570 1354 1007 A 18 ILE HG2% A 27 LEU HA 1.0 1.8 4.080 1355 1008 A 19 ASN HA A 18 ILE HG2% 1.0 1.8 6.000 1356 1009 A 19 ASN HA A 19 ASN HBy 1.0 1.8 3.808 1357 1009 A 19 ASN HA A 19 ASN HBx 1.0 1.8 3.808 1358 1010 A 22 VAL HGy% A 19 ASN HBy 1.0 1.8 4.570 1359 1010 A 22 VAL HGy% A 19 ASN HBx 1.0 1.8 4.570 1360 1011 A 20 GLU HA A 20 GLU HGx 1.0 1.8 3.808 1361 1011 A 20 GLU HGy A 20 GLU HA 1.0 1.8 3.808 1362 1012 A 20 GLU HA A 25 ALA HA 1.0 1.8 3.400 1363 1013 A 20 GLU HA A 20 GLU HBy 1.0 1.8 3.808 1364 1013 A 20 GLU HBx A 20 GLU HA 1.0 1.8 3.808 1365 1014 A 3 HIS HD2 A 20 GLU HGx 1.0 1.8 5.600 1366 1014 A 20 GLU HGy A 3 HIS HD2 1.0 1.8 5.600 1367 1015 A 25 ALA HB% A 20 GLU HGx 1.0 1.8 6.272 1368 1015 A 20 GLU HGy A 25 ALA HB% 1.0 1.8 6.272 1369 1016 A 21 ASP HA A 21 ASP HBy 1.0 1.8 3.136 1370 1016 A 21 ASP HBx A 21 ASP HA 1.0 1.8 3.136 1371 1017 A 22 VAL HGx% A 21 ASP HBy 1.0 1.8 6.720 1372 1017 A 21 ASP HBx A 22 VAL HGx% 1.0 1.8 6.720 1373 1018 A 22 VAL HA A 22 VAL HB 1.0 1.8 2.800 1374 1019 A 22 VAL HA A 22 VAL HGx% 1.0 1.8 3.360 1375 1020 A 22 VAL HGx% A 26 GLU HGy 1.0 1.8 4.570 1376 1020 A 26 GLU HGx A 22 VAL HGx% 1.0 1.8 4.570 1377 1021 A 22 VAL HGy% A 21 ASP HA 1.0 1.8 6.000 1378 1022 A 22 VAL HGy% A 22 VAL HA 1.0 1.8 3.360 1379 1023 A 22 VAL HGy% A 25 ALA HB% 1.0 1.8 4.570 1380 1024 A 22 VAL HGy% A 26 GLU HGy 1.0 1.8 4.570 1381 1024 A 22 VAL HGy% A 26 GLU HGx 1.0 1.8 4.570 1382 1025 A 23 SER HA A 23 SER HBy 1.0 1.8 3.808 1383 1025 A 23 SER HBx A 23 SER HA 1.0 1.8 3.808 1384 1026 A 23 SER HA A 24 PRO HBx 1.0 1.8 5.600 1385 1026 A 24 PRO HBy A 23 SER HA 1.0 1.8 5.600 1386 1027 A 24 PRO HA A 23 SER HBy 1.0 1.8 5.600 1387 1027 A 23 SER HBx A 24 PRO HA 1.0 1.8 5.600 1388 1028 A 41 VAL HGx% A 24 PRO HBx 1.0 1.8 4.570 1389 1028 A 41 VAL HGx% A 24 PRO HBy 1.0 1.8 4.570 1390 1029 A 41 VAL HGy% A 24 PRO HBx 1.0 1.8 6.720 1391 1029 A 41 VAL HGy% A 24 PRO HBy 1.0 1.8 6.720 1392 1030 A 111 TYR HE% A 24 PRO HBx 1.0 1.8 6.272 1393 1030 A 111 TYR HE% A 24 PRO HBy 1.0 1.8 6.272 1394 1031 A 41 VAL HGx% A 24 PRO HD2 1.0 1.8 4.570 1395 1031 A 24 PRO HD3 A 41 VAL HGx% 1.0 1.8 4.570 1396 1032 A 41 VAL HGx% A 24 PRO HGy 1.0 1.8 3.763 1397 1032 A 41 VAL HGx% A 24 PRO HGx 1.0 1.8 3.763 1398 1033 A 41 VAL HGy% A 24 PRO HGy 1.0 1.8 6.720 1399 1033 A 41 VAL HGy% A 24 PRO HGx 1.0 1.8 6.720 1400 1034 A 22 VAL HB A 25 ALA HA 1.0 1.8 5.000 1401 1035 A 25 ALA HA A 22 VAL HGx% 1.0 1.8 6.000 1402 1036 A 22 VAL HGy% A 25 ALA HA 1.0 1.8 3.360 1403 1037 A 18 ILE HG2% A 25 ALA HB% 1.0 1.8 4.570 1404 1038 A 20 GLU HA A 25 ALA HB% 1.0 1.8 3.136 1405 1039 A 25 ALA HB% A 20 GLU HBy 1.0 1.8 6.272 1406 1039 A 20 GLU HBx A 25 ALA HB% 1.0 1.8 6.272 1407 1040 A 25 ALA HB% A 42 LEU HDy% 1.0 1.8 4.265 1408 1041 A 25 ALA HB% A 111 TYR HD% 1.0 1.8 6.720 1409 1042 A 26 GLU HA A 26 GLU HBy 1.0 1.8 5.600 1410 1042 A 26 GLU HBx A 26 GLU HA 1.0 1.8 5.600 1411 1043 A 26 GLU HA A 26 GLU HGy 1.0 1.8 5.600 1412 1043 A 26 GLU HGx A 26 GLU HA 1.0 1.8 5.600 1413 1044 A 41 VAL HA A 26 GLU HA 1.0 1.8 3.400 1414 1045 A 41 VAL HGx% A 26 GLU HA 1.0 1.8 6.000 1415 1046 A 41 VAL HGy% A 26 GLU HA 1.0 1.8 6.000 1416 1047 A 26 GLU HA A 42 LEU HDy% 1.0 1.8 3.808 1417 1048 A 41 VAL HA A 26 GLU HGy 1.0 1.8 5.600 1418 1048 A 26 GLU HGx A 41 VAL HA 1.0 1.8 5.600 1419 1049 A 27 LEU HA A 18 ILE HD1% 1.0 1.8 6.000 1420 1050 A 27 LEU HA A 18 ILE HG1y 1.0 1.8 6.000 1421 1050 A 18 ILE HG1x A 27 LEU HA 1.0 1.8 6.000 1422 1051 A 27 LEU HDx% A 27 LEU HBy 1.0 1.8 4.570 1423 1051 A 27 LEU HBx A 27 LEU HDx% 1.0 1.8 4.570 1424 1052 A 27 LEU HDy% A 27 LEU HBy 1.0 1.8 6.272 1425 1052 A 27 LEU HDy% A 27 LEU HBx 1.0 1.8 6.272 1426 1053 A 16 ILE HD1% A 27 LEU HDx% 1.0 1.8 4.032 1427 1054 A 27 LEU HDx% A 16 ILE HG1x 1.0 1.8 4.896 1428 1054 A 16 ILE HG1y A 27 LEU HDx% 1.0 1.8 4.896 1429 1055 A 18 ILE HA A 27 LEU HDx% 1.0 1.8 6.000 1430 1056 A 27 LEU HA A 27 LEU HDx% 1.0 1.8 4.080 1431 1057 A 16 ILE HD1% A 27 LEU HDy% 1.0 1.8 3.763 1432 1058 A 27 LEU HDy% A 27 LEU HA 1.0 1.8 5.600 1433 1059 A 27 LEU HDy% A 40 VAL HGx% 1.0 1.8 3.763 1434 1060 A 27 LEU HDy% A 62 LEU HDx% 1.0 1.8 3.763 1435 1061 A 28 THR HB A 28 THR HA 1.0 1.8 3.400 1436 1062 A 28 THR HA A 37 VAL HGy% 1.0 1.8 4.080 1437 1063 A 39 THR HG2% A 28 THR HA 1.0 1.8 3.360 1438 1064 A 28 THR HA A 28 THR HG2% 1.0 1.8 3.360 1439 1065 A 28 THR HG2% A 37 VAL HB 1.0 1.8 6.000 1440 1066 A 28 THR HG2% A 37 VAL HGy% 1.0 1.8 3.763 1441 1066 A 28 THR HG2% A 37 VAL HGx% 1.0 1.8 3.763 1442 1067 A 29 TRP HA A 29 TRP HBy 1.0 1.8 5.600 1443 1067 A 29 TRP HA A 29 TRP HBx 1.0 1.8 5.600 1444 1068 A 27 LEU HDy% A 29 TRP HBy 1.0 1.8 6.272 1445 1068 A 27 LEU HDy% A 29 TRP HBx 1.0 1.8 6.272 1446 1069 A 29 TRP HD1 A 29 TRP HBy 1.0 1.8 5.600 1447 1069 A 29 TRP HD1 A 29 TRP HBx 1.0 1.8 5.600 1448 1070 A 16 ILE HB A 29 TRP HD1 1.0 1.8 3.400 1449 1071 A 29 TRP HD1 A 16 ILE HD1% 1.0 1.8 6.000 1450 1072 A 29 TRP HD1 A 16 ILE HG1x 1.0 1.8 4.080 1451 1072 A 29 TRP HD1 A 16 ILE HG1y 1.0 1.8 4.080 1452 1073 A 29 TRP HD1 A 16 ILE HG2% 1.0 1.8 6.000 1453 1074 A 29 TRP HD1 A 29 TRP HA 1.0 1.8 5.000 1454 1075 A 29 TRP HH2 A 12 VAL HGx% 1.0 1.8 4.080 1455 1076 A 29 TRP HZ2 A 12 VAL HGx% 1.0 1.8 4.080 1456 1077 A 30 ARG HA A 30 ARG HBx 1.0 1.8 3.808 1457 1077 A 30 ARG HBy A 30 ARG HA 1.0 1.8 3.808 1458 1078 A 30 ARG HA A 37 VAL HA 1.0 1.8 2.800 1459 1079 A 30 ARG HA A 37 VAL HGy% 1.0 1.8 3.808 1460 1079 A 37 VAL HGx% A 30 ARG HA 1.0 1.8 3.808 1461 1080 A 30 ARG HBx A 30 ARG HDy 1.0 1.8 4.265 1462 1080 A 30 ARG HBy A 30 ARG HDy 1.0 1.8 4.265 1463 1080 A 30 ARG HDx A 30 ARG HBx 1.0 1.8 4.265 1464 1080 A 30 ARG HBy A 30 ARG HDx 1.0 1.8 4.265 1465 1081 A 37 VAL HA A 30 ARG HBx 1.0 1.8 5.600 1466 1081 A 30 ARG HBy A 37 VAL HA 1.0 1.8 5.600 1467 1082 A 30 ARG HBx A 37 VAL HGy% 1.0 1.8 4.265 1468 1082 A 30 ARG HBy A 37 VAL HGy% 1.0 1.8 4.265 1469 1082 A 37 VAL HGx% A 30 ARG HBx 1.0 1.8 4.265 1470 1082 A 30 ARG HBy A 37 VAL HGx% 1.0 1.8 4.265 1471 1083 A 30 ARG HDy A 37 VAL HGy% 1.0 1.8 6.272 1472 1083 A 30 ARG HDx A 37 VAL HGy% 1.0 1.8 6.272 1473 1083 A 37 VAL HGx% A 30 ARG HDy 1.0 1.8 6.272 1474 1083 A 37 VAL HGx% A 30 ARG HDx 1.0 1.8 6.272 1475 1084 A 30 ARG HGy A 34 GLY HAy 1.0 1.8 6.272 1476 1084 A 30 ARG HGx A 34 GLY HAy 1.0 1.8 6.272 1477 1084 A 34 GLY HAx A 30 ARG HGx 1.0 1.8 6.272 1478 1084 A 34 GLY HAx A 30 ARG HGy 1.0 1.8 6.272 1479 1085 A 31 SER HA A 31 SER HB2 1.0 1.8 5.600 1480 1085 A 31 SER HB3 A 31 SER HA 1.0 1.8 5.600 1481 1086 A 32 THR HG2% A 15 ILE HD1% 1.0 1.8 4.896 1482 1087 A 33 ASP HA A 32 THR HG2% 1.0 1.8 6.000 1483 1088 A 33 ASP HA A 33 ASP HBy 1.0 1.8 3.136 1484 1088 A 33 ASP HA A 33 ASP HBx 1.0 1.8 3.136 1485 1089 A 35 ASP HA A 35 ASP HBy 1.0 1.8 3.136 1486 1089 A 35 ASP HBx A 35 ASP HA 1.0 1.8 3.136 1487 1090 A 36 LYS HA A 36 LYS HBx 1.0 1.8 3.808 1488 1090 A 36 LYS HBy A 36 LYS HA 1.0 1.8 3.808 1489 1091 A 36 LYS HA A 37 VAL HGy% 1.0 1.8 3.808 1490 1091 A 37 VAL HGx% A 36 LYS HA 1.0 1.8 3.808 1491 1092 A 12 VAL HGy% A 36 LYS HD2 1.0 1.8 3.763 1492 1092 A 12 VAL HGy% A 36 LYS HD3 1.0 1.8 3.763 1493 1093 A 9 PHE HD% A 36 LYS HEx 1.0 1.8 6.272 1494 1093 A 9 PHE HD% A 36 LYS HEy 1.0 1.8 6.272 1495 1094 A 36 LYS HA A 36 LYS HGx 1.0 1.8 3.808 1496 1094 A 36 LYS HGy A 36 LYS HA 1.0 1.8 3.808 1497 1095 A 37 VAL HA A 30 ARG HGx 1.0 1.8 5.600 1498 1095 A 37 VAL HA A 30 ARG HGy 1.0 1.8 5.600 1499 1096 A 30 ARG HA A 37 VAL HB 1.0 1.8 5.000 1500 1097 A 37 VAL HA A 37 VAL HB 1.0 1.8 3.400 1501 1098 A 38 HIS HA A 38 HIS HBy 1.0 1.8 3.808 1502 1098 A 38 HIS HA A 38 HIS HBx 1.0 1.8 3.808 1503 1099 A 28 THR HG2% A 39 THR HB 1.0 1.8 6.000 1504 1100 A 39 THR HA A 39 THR HG2% 1.0 1.8 3.360 1505 1101 A 39 THR HG2% A 40 VAL HA 1.0 1.8 6.000 1506 1102 A 40 VAL HB A 40 VAL HA 1.0 1.8 5.000 1507 1103 A 27 LEU HDy% A 40 VAL HGy% 1.0 1.8 3.512 1508 1103 A 27 LEU HDy% A 40 VAL HGx% 1.0 1.8 3.512 1509 1104 A 27 LEU HBx A 40 VAL HGx% 1.0 1.8 4.570 1510 1104 A 40 VAL HGx% A 27 LEU HBy 1.0 1.8 4.570 1511 1105 A 40 VAL HGx% A 42 LEU HDx% 1.0 1.8 4.896 1512 1106 A 40 VAL HGx% A 42 LEU HDy% 1.0 1.8 3.763 1513 1107 A 45 ILE HD1% A 40 VAL HGx% 1.0 1.8 4.032 1514 1108 A 27 LEU HDx% A 40 VAL HGy% 1.0 1.8 4.896 1515 1109 A 40 VAL HA A 40 VAL HGy% 1.0 1.8 3.360 1516 1110 A 89 PHE HZ A 40 VAL HGy% 1.0 1.8 3.360 1517 1111 A 41 VAL HB A 44 THR HG2% 1.0 1.8 4.080 1518 1112 A 41 VAL HGx% A 41 VAL HA 1.0 1.8 3.360 1519 1113 A 41 VAL HA A 41 VAL HGy% 1.0 1.8 3.360 1520 1114 A 42 LEU HA A 40 VAL HGy% 1.0 1.8 6.000 1521 1115 A 45 ILE HD1% A 42 LEU HA 1.0 1.8 6.000 1522 1116 A 111 TYR HE% A 42 LEU HDy% 1.0 1.8 5.000 1523 1116 A 111 TYR HE% A 42 LEU HDx% 1.0 1.8 5.000 1524 1117 A 26 GLU HA A 42 LEU HDx% 1.0 1.8 6.000 1525 1118 A 27 LEU HBx A 42 LEU HDx% 1.0 1.8 4.570 1526 1118 A 42 LEU HDx% A 27 LEU HBy 1.0 1.8 4.570 1527 1119 A 42 LEU HDx% A 40 VAL HGy% 1.0 1.8 7.200 1528 1120 A 42 LEU HA A 42 LEU HDx% 1.0 1.8 4.080 1529 1121 A 62 LEU HDx% A 42 LEU HDx% 1.0 1.8 4.896 1530 1122 A 42 LEU HDx% A 104 LEU HDy% 1.0 1.8 3.763 1531 1123 A 27 LEU HBy A 42 LEU HDy% 1.0 1.8 4.265 1532 1123 A 27 LEU HBx A 42 LEU HDy% 1.0 1.8 4.265 1533 1124 A 42 LEU HA A 42 LEU HDy% 1.0 1.8 3.808 1534 1125 A 45 ILE HG1x A 42 LEU HDy% 1.0 1.8 4.570 1535 1125 A 42 LEU HDy% A 45 ILE HG1y 1.0 1.8 4.570 1536 1126 A 42 LEU HDy% A 62 LEU HDy% 1.0 1.8 3.512 1537 1127 A 104 LEU HA A 42 LEU HDy% 1.0 1.8 5.600 1538 1128 A 26 GLU HA A 42 LEU HG 1.0 1.8 5.000 1539 1129 A 43 SER HA A 43 SER HBx 1.0 1.8 3.808 1540 1129 A 43 SER HBy A 43 SER HA 1.0 1.8 3.808 1541 1130 A 43 SER HA A 111 TYR HBy 1.0 1.8 5.000 1542 1130 A 43 SER HA A 111 TYR HBx 1.0 1.8 5.000 1543 1131 A 44 THR HB A 65 LYS HDy 1.0 1.8 5.600 1544 1131 A 44 THR HB A 65 LYS HDx 1.0 1.8 5.600 1545 1132 A 41 VAL HGx% A 44 THR HG2% 1.0 1.8 4.032 1546 1133 A 41 VAL HGy% A 44 THR HG2% 1.0 1.8 4.896 1547 1134 A 44 THR HG2% A 44 THR HA 1.0 1.8 3.360 1548 1135 A 45 ILE HD1% A 45 ILE HA 1.0 1.8 4.080 1549 1136 A 45 ILE HD1% A 40 VAL HGy% 1.0 1.8 4.032 1550 1137 A 45 ILE HB A 45 ILE HD1% 1.0 1.8 4.080 1551 1138 A 45 ILE HD1% A 62 LEU HG 1.0 1.8 6.000 1552 1139 A 45 ILE HD1% A 87 HIS HD2 1.0 1.8 6.000 1553 1140 A 45 ILE HG2% A 42 LEU HA 1.0 1.8 6.000 1554 1141 A 45 ILE HA A 45 ILE HG2% 1.0 1.8 4.080 1555 1142 A 45 ILE HG2% A 62 LEU HA 1.0 1.8 6.000 1556 1143 A 45 ILE HG2% A 62 LEU HG 1.0 1.8 4.080 1557 1144 A 46 ASP HA A 65 LYS HEy 1.0 1.8 3.808 1558 1144 A 46 ASP HA A 65 LYS HEx 1.0 1.8 3.808 1559 1145 A 46 ASP HA A 65 LYS HGx 1.0 1.8 5.600 1560 1145 A 65 LYS HGy A 46 ASP HA 1.0 1.8 5.600 1561 1146 A 63 ILE HG2% A 46 ASP HBy 1.0 1.8 6.720 1562 1146 A 46 ASP HBx A 63 ILE HG2% 1.0 1.8 6.720 1563 1147 A 46 ASP HBx A 65 LYS HGx 1.0 1.8 6.272 1564 1147 A 46 ASP HBy A 65 LYS HGx 1.0 1.8 6.272 1565 1147 A 65 LYS HGy A 46 ASP HBy 1.0 1.8 6.272 1566 1147 A 46 ASP HBx A 65 LYS HGy 1.0 1.8 6.272 1567 1148 A 45 ILE HG2% A 47 LYS HA 1.0 1.8 4.080 1568 1149 A 108 ILE HD1% A 47 LYS HA 1.0 1.8 6.000 1569 1150 A 47 LYS HA A 108 ILE HG2% 1.0 1.8 6.000 1570 1151 A 47 LYS HA A 47 LYS HBy 1.0 1.8 3.808 1571 1151 A 47 LYS HBx A 47 LYS HA 1.0 1.8 3.808 1572 1152 A 63 ILE HB A 47 LYS HBy 1.0 1.8 5.600 1573 1152 A 47 LYS HBx A 63 ILE HB 1.0 1.8 5.600 1574 1153 A 63 ILE HD1% A 47 LYS HBy 1.0 1.8 6.720 1575 1153 A 47 LYS HBx A 63 ILE HD1% 1.0 1.8 6.720 1576 1154 A 63 ILE HG2% A 47 LYS HBy 1.0 1.8 6.720 1577 1154 A 47 LYS HBx A 63 ILE HG2% 1.0 1.8 6.720 1578 1155 A 47 LYS HA A 47 LYS HG2 1.0 1.8 3.808 1579 1155 A 47 LYS HG3 A 47 LYS HA 1.0 1.8 3.808 1580 1156 A 63 ILE HB A 47 LYS HG2 1.0 1.8 3.808 1581 1156 A 47 LYS HG3 A 63 ILE HB 1.0 1.8 3.808 1582 1157 A 63 ILE HD1% A 47 LYS HG2 1.0 1.8 6.720 1583 1157 A 47 LYS HG3 A 63 ILE HD1% 1.0 1.8 6.720 1584 1158 A 48 LEU HDx% A 48 LEU HA 1.0 1.8 4.080 1585 1159 A 48 LEU HA A 48 LEU HDy% 1.0 1.8 5.600 1586 1160 A 48 LEU HA A 48 LEU HG 1.0 1.8 5.000 1587 1161 A 62 LEU HA A 48 LEU HA 1.0 1.8 3.400 1588 1162 A 108 ILE HD1% A 48 LEU HBx 1.0 1.8 4.570 1589 1162 A 108 ILE HD1% A 48 LEU HBy 1.0 1.8 4.570 1590 1163 A 62 LEU HA A 48 LEU HDx% 1.0 1.8 4.080 1591 1164 A 101 LYS HA A 48 LEU HDy% 1.0 1.8 5.600 1592 1165 A 105 GLN HA A 48 LEU HDy% 1.0 1.8 3.808 1593 1166 A 105 GLN HGx A 48 LEU HDy% 1.0 1.8 6.272 1594 1166 A 48 LEU HDy% A 105 GLN HGy 1.0 1.8 6.272 1595 1167 A 49 GLN HA A 49 GLN HGy 1.0 1.8 5.600 1596 1167 A 49 GLN HGx A 49 GLN HA 1.0 1.8 5.600 1597 1168 A 50 ALA HA A 60 LEU HA 1.0 1.8 3.400 1598 1169 A 50 ALA HA A 60 LEU HDx% 1.0 1.8 6.000 1599 1170 A 50 ALA HA A 60 LEU HDy% 1.0 1.8 3.808 1600 1171 A 50 ALA HA A 60 LEU HG 1.0 1.8 5.000 1601 1172 A 50 ALA HB% A 101 LYS HDy 1.0 1.8 4.265 1602 1172 A 50 ALA HB% A 101 LYS HDx 1.0 1.8 4.265 1603 1173 A 50 ALA HB% A 101 LYS HEy 1.0 1.8 4.265 1604 1173 A 50 ALA HB% A 101 LYS HEx 1.0 1.8 4.265 1605 1174 A 51 THR HG2% A 51 THR HA 1.0 1.8 4.080 1606 1175 A 51 THR HB A 55 SER HBy 1.0 1.8 3.808 1607 1175 A 55 SER HBx A 51 THR HB 1.0 1.8 3.808 1608 1176 A 51 THR HG2% A 59 MET HBx 1.0 1.8 6.720 1609 1176 A 51 THR HG2% A 59 MET HBy 1.0 1.8 6.720 1610 1177 A 51 THR HG2% A 59 MET HE% 1.0 1.8 3.763 1611 1178 A 52 PRO HA A 53 ALA HB% 1.0 1.8 5.600 1612 1179 A 51 THR HA A 52 PRO HGy 1.0 1.8 5.600 1613 1179 A 52 PRO HGx A 51 THR HA 1.0 1.8 5.600 1614 1180 A 51 THR HB A 52 PRO HGy 1.0 1.8 5.600 1615 1180 A 52 PRO HGx A 51 THR HB 1.0 1.8 5.600 1616 1181 A 53 ALA HB% A 94 ARG HDx 1.0 1.8 6.272 1617 1181 A 53 ALA HB% A 94 ARG HDy 1.0 1.8 6.272 1618 1182 A 53 ALA HB% A 54 SER HA 1.0 1.8 5.600 1619 1183 A 54 SER HA A 54 SER HBy 1.0 1.8 3.136 1620 1183 A 54 SER HBx A 54 SER HA 1.0 1.8 3.136 1621 1184 A 55 SER HA A 56 GLU HA 1.0 1.8 5.000 1622 1185 A 51 THR HG2% A 55 SER HBy 1.0 1.8 6.720 1623 1185 A 51 THR HG2% A 55 SER HBx 1.0 1.8 6.720 1624 1186 A 52 PRO HGy A 55 SER HBy 1.0 1.8 6.272 1625 1186 A 52 PRO HGx A 55 SER HBy 1.0 1.8 6.272 1626 1186 A 55 SER HBx A 52 PRO HGy 1.0 1.8 6.272 1627 1186 A 52 PRO HGx A 55 SER HBx 1.0 1.8 6.272 1628 1187 A 56 GLU HA A 56 GLU HBy 1.0 1.8 3.136 1629 1187 A 56 GLU HBx A 56 GLU HA 1.0 1.8 3.136 1630 1188 A 56 GLU HA A 56 GLU HGx 1.0 1.8 3.808 1631 1188 A 56 GLU HGy A 56 GLU HA 1.0 1.8 3.808 1632 1189 A 57 LYS HA A 57 LYS HGy 1.0 1.8 3.808 1633 1189 A 57 LYS HGx A 57 LYS HA 1.0 1.8 3.808 1634 1190 A 57 LYS HA A 57 LYS HDx 1.0 1.8 3.808 1635 1190 A 57 LYS HDy A 57 LYS HA 1.0 1.8 3.808 1636 1191 A 51 THR HG2% A 59 MET HA 1.0 1.8 6.000 1637 1192 A 59 MET HA A 91 PHE HD% 1.0 1.8 5.600 1638 1193 A 91 PHE HE% A 59 MET HA 1.0 1.8 5.600 1639 1194 A 59 MET HE% A 57 LYS HEy 1.0 1.8 4.265 1640 1194 A 59 MET HE% A 57 LYS HEx 1.0 1.8 4.265 1641 1195 A 59 MET HA A 59 MET HE% 1.0 1.8 5.600 1642 1196 A 59 MET HE% A 59 MET HBx 1.0 1.8 4.265 1643 1196 A 59 MET HBy A 59 MET HE% 1.0 1.8 4.265 1644 1197 A 90 SER HA A 59 MET HE% 1.0 1.8 5.600 1645 1198 A 51 THR HG2% A 59 MET HGy 1.0 1.8 6.720 1646 1198 A 51 THR HG2% A 59 MET HGx 1.0 1.8 6.720 1647 1199 A 59 MET HA A 59 MET HGy 1.0 1.8 5.600 1648 1199 A 59 MET HA A 59 MET HGx 1.0 1.8 5.600 1649 1200 A 50 ALA HB% A 60 LEU HA 1.0 1.8 3.808 1650 1201 A 60 LEU HA A 60 LEU HDx% 1.0 1.8 6.000 1651 1202 A 60 LEU HA A 60 LEU HDy% 1.0 1.8 3.808 1652 1203 A 50 ALA HB% A 60 LEU HDx% 1.0 1.8 4.570 1653 1204 A 91 PHE HZ A 60 LEU HDx% 1.0 1.8 3.360 1654 1205 A 101 LYS HA A 60 LEU HDx% 1.0 1.8 4.080 1655 1206 A 50 ALA HB% A 60 LEU HDy% 1.0 1.8 3.512 1656 1207 A 97 MET HE% A 60 LEU HDy% 1.0 1.8 4.265 1657 1208 A 101 LYS HA A 60 LEU HDy% 1.0 1.8 3.808 1658 1209 A 45 ILE HD1% A 62 LEU HA 1.0 1.8 6.000 1659 1210 A 62 LEU HA A 62 LEU HDy% 1.0 1.8 3.808 1660 1211 A 45 ILE HD1% A 62 LEU HBx 1.0 1.8 6.720 1661 1211 A 45 ILE HD1% A 62 LEU HBy 1.0 1.8 6.720 1662 1212 A 62 LEU HDx% A 40 VAL HGx% 1.0 1.8 4.032 1663 1213 A 45 ILE HD1% A 62 LEU HDx% 1.0 1.8 4.032 1664 1214 A 61 ARG HA A 62 LEU HDx% 1.0 1.8 6.000 1665 1215 A 62 LEU HDx% A 104 LEU HDx% 1.0 1.8 4.032 1666 1216 A 62 LEU HDx% A 104 LEU HDy% 1.0 1.8 3.763 1667 1217 A 45 ILE HD1% A 62 LEU HDy% 1.0 1.8 3.763 1668 1218 A 48 LEU HA A 62 LEU HDy% 1.0 1.8 3.808 1669 1219 A 104 LEU HDx% A 62 LEU HDy% 1.0 1.8 3.763 1670 1220 A 48 LEU HA A 62 LEU HG 1.0 1.8 5.000 1671 1221 A 62 LEU HA A 62 LEU HG 1.0 1.8 3.400 1672 1222 A 63 ILE HA A 63 ILE HG2% 1.0 1.8 4.080 1673 1223 A 63 ILE HA A 86 ARG HA 1.0 1.8 3.400 1674 1224 A 63 ILE HA A 86 ARG HGy 1.0 1.8 5.600 1675 1224 A 63 ILE HA A 86 ARG HGx 1.0 1.8 5.600 1676 1225 A 63 ILE HD1% A 47 LYS HEy 1.0 1.8 4.570 1677 1225 A 63 ILE HD1% A 47 LYS HEx 1.0 1.8 4.570 1678 1226 A 63 ILE HD1% A 63 ILE HA 1.0 1.8 4.080 1679 1227 A 63 ILE HD1% A 86 ARG HA 1.0 1.8 4.080 1680 1228 A 63 ILE HD1% A 86 ARG HBy 1.0 1.8 6.720 1681 1228 A 63 ILE HD1% A 86 ARG HBx 1.0 1.8 6.720 1682 1229 A 63 ILE HD1% A 86 ARG HDy 1.0 1.8 4.570 1683 1229 A 63 ILE HD1% A 86 ARG HDx 1.0 1.8 4.570 1684 1230 A 63 ILE HD1% A 86 ARG HGy 1.0 1.8 4.570 1685 1230 A 63 ILE HD1% A 86 ARG HGx 1.0 1.8 4.570 1686 1231 A 63 ILE HG2% A 47 LYS HEy 1.0 1.8 4.570 1687 1231 A 63 ILE HG2% A 47 LYS HEx 1.0 1.8 4.570 1688 1232 A 63 ILE HG2% A 63 ILE HG1y 1.0 1.8 4.032 1689 1232 A 63 ILE HG1x A 63 ILE HG2% 1.0 1.8 4.032 1690 1233 A 65 LYS HA A 46 ASP HA 1.0 1.8 5.000 1691 1234 A 65 LYS HA A 46 ASP HBy 1.0 1.8 3.808 1692 1234 A 46 ASP HBx A 65 LYS HA 1.0 1.8 3.808 1693 1235 A 44 THR HA A 65 LYS HDy 1.0 1.8 5.600 1694 1235 A 44 THR HA A 65 LYS HDx 1.0 1.8 5.600 1695 1236 A 44 THR HA A 65 LYS HEy 1.0 1.8 5.600 1696 1236 A 44 THR HA A 65 LYS HEx 1.0 1.8 5.600 1697 1237 A 65 LYS HA A 65 LYS HEy 1.0 1.8 5.600 1698 1237 A 65 LYS HA A 65 LYS HEx 1.0 1.8 5.600 1699 1238 A 65 LYS HA A 65 LYS HGx 1.0 1.8 3.808 1700 1238 A 65 LYS HGy A 65 LYS HA 1.0 1.8 3.808 1701 1239 A 66 VAL HB A 66 VAL HA 1.0 1.8 2.800 1702 1240 A 66 VAL HA A 84 PRO HA 1.0 1.8 3.400 1703 1241 A 66 VAL HA A 84 PRO HBy 1.0 1.8 5.600 1704 1241 A 66 VAL HA A 84 PRO HBx 1.0 1.8 5.600 1705 1242 A 66 VAL HGx% A 84 PRO HA 1.0 1.8 4.080 1706 1243 A 66 VAL HGx% A 84 PRO HDy 1.0 1.8 6.720 1707 1243 A 66 VAL HGx% A 84 PRO HDx 1.0 1.8 6.720 1708 1244 A 66 VAL HA A 66 VAL HGy% 1.0 1.8 3.360 1709 1245 A 66 VAL HGy% A 84 PRO HBy 1.0 1.8 6.720 1710 1245 A 66 VAL HGy% A 84 PRO HBx 1.0 1.8 6.720 1711 1246 A 66 VAL HA A 67 ASP HA 1.0 1.8 5.000 1712 1247 A 67 ASP HA A 67 ASP HBy 1.0 1.8 3.136 1713 1247 A 67 ASP HBx A 67 ASP HA 1.0 1.8 3.136 1714 1248 A 66 VAL HGy% A 68 GLU HA 1.0 1.8 4.080 1715 1249 A 68 GLU HA A 81 VAL HGy% 1.0 1.8 4.080 1716 1250 A 69 SER HA A 69 SER HBy 1.0 1.8 3.136 1717 1250 A 69 SER HBx A 69 SER HA 1.0 1.8 3.136 1718 1251 A 70 LYS HA A 70 LYS HGx 1.0 1.8 3.808 1719 1251 A 70 LYS HGy A 70 LYS HA 1.0 1.8 3.808 1720 1252 A 70 LYS HA A 70 LYS HDy 1.0 1.8 3.136 1721 1252 A 70 LYS HDx A 70 LYS HA 1.0 1.8 3.136 1722 1253 A 71 LYS HA A 71 LYS HD2 1.0 1.8 5.600 1723 1253 A 71 LYS HA A 71 LYS HD3 1.0 1.8 5.600 1724 1254 A 71 LYS HA A 71 LYS HGx 1.0 1.8 3.808 1725 1254 A 71 LYS HGy A 71 LYS HA 1.0 1.8 3.808 1726 1255 A 71 LYS HA A 81 VAL HGy% 1.0 1.8 3.808 1727 1255 A 71 LYS HA A 81 VAL HGx% 1.0 1.8 3.808 1728 1256 A 71 LYS HA A 82 PRO HDx 1.0 1.8 3.808 1729 1256 A 71 LYS HA A 82 PRO HDy 1.0 1.8 3.808 1730 1257 A 72 ARG HA A 72 ARG HBx 1.0 1.8 3.136 1731 1257 A 72 ARG HBy A 72 ARG HA 1.0 1.8 3.136 1732 1258 A 72 ARG HA A 73 LYS HA 1.0 1.8 5.000 1733 1259 A 72 ARG HA A 72 ARG HDx 1.0 1.8 3.808 1734 1259 A 72 ARG HDy A 72 ARG HA 1.0 1.8 3.808 1735 1260 A 72 ARG HDx A 80 VAL HGy% 1.0 1.8 4.570 1736 1260 A 72 ARG HDy A 80 VAL HGy% 1.0 1.8 4.570 1737 1261 A 73 LYS HA A 73 LYS HD2 1.0 1.8 3.808 1738 1261 A 73 LYS HA A 73 LYS HD3 1.0 1.8 3.808 1739 1262 A 73 LYS HA A 79 GLU HBx 1.0 1.8 5.600 1740 1262 A 73 LYS HA A 79 GLU HBy 1.0 1.8 5.600 1741 1263 A 73 LYS HA A 80 VAL HGy% 1.0 1.8 4.080 1742 1264 A 73 LYS HA A 73 LYS HGy 1.0 1.8 3.808 1743 1264 A 73 LYS HGx A 73 LYS HA 1.0 1.8 3.808 1744 1265 A 73 LYS HA A 74 ASP HA 1.0 1.8 5.000 1745 1266 A 74 ASP HA A 80 VAL HGy% 1.0 1.8 6.000 1746 1267 A 74 ASP HA A 74 ASP HBy 1.0 1.8 3.136 1747 1267 A 74 ASP HBx A 74 ASP HA 1.0 1.8 3.136 1748 1268 A 74 ASP HBx A 80 VAL HGy% 1.0 1.8 4.570 1749 1268 A 74 ASP HBy A 80 VAL HGy% 1.0 1.8 4.570 1750 1269 A 75 ASN HB2 A 76 GLU HGy 1.0 1.8 6.272 1751 1269 A 76 GLU HGx A 75 ASN HB2 1.0 1.8 6.272 1752 1269 A 75 ASN HB3 A 76 GLU HGx 1.0 1.8 6.272 1753 1269 A 75 ASN HB3 A 76 GLU HGy 1.0 1.8 6.272 1754 1270 A 76 GLU HA A 76 GLU HBy 1.0 1.8 3.136 1755 1270 A 76 GLU HBx A 76 GLU HA 1.0 1.8 3.136 1756 1271 A 76 GLU HA A 76 GLU HGy 1.0 1.8 3.136 1757 1271 A 76 GLU HA A 76 GLU HGx 1.0 1.8 3.136 1758 1272 A 73 LYS HB2 A 77 GLY HAy 1.0 1.8 6.272 1759 1272 A 73 LYS HB3 A 77 GLY HAy 1.0 1.8 6.272 1760 1272 A 77 GLY HAx A 73 LYS HB2 1.0 1.8 6.272 1761 1272 A 73 LYS HB3 A 77 GLY HAx 1.0 1.8 6.272 1762 1273 A 73 LYS HD3 A 77 GLY HAy 1.0 1.8 6.272 1763 1273 A 73 LYS HD2 A 77 GLY HAy 1.0 1.8 6.272 1764 1273 A 77 GLY HAx A 73 LYS HD2 1.0 1.8 6.272 1765 1273 A 73 LYS HD3 A 77 GLY HAx 1.0 1.8 6.272 1766 1274 A 78 ASN HA A 78 ASN HBy 1.0 1.8 3.136 1767 1274 A 78 ASN HBx A 78 ASN HA 1.0 1.8 3.136 1768 1275 A 78 ASN HBx A 80 VAL HGy% 1.0 1.8 6.272 1769 1275 A 78 ASN HBy A 80 VAL HGy% 1.0 1.8 6.272 1770 1275 A 80 VAL HGx% A 78 ASN HBy 1.0 1.8 6.272 1771 1275 A 80 VAL HGx% A 78 ASN HBx 1.0 1.8 6.272 1772 1276 A 73 LYS HA A 79 GLU HA 1.0 1.8 2.800 1773 1277 A 79 GLU HA A 73 LYS HGy 1.0 1.8 5.600 1774 1277 A 73 LYS HGx A 79 GLU HA 1.0 1.8 5.600 1775 1278 A 79 GLU HA A 78 ASN HA 1.0 1.8 5.000 1776 1279 A 79 GLU HA A 79 GLU HGx 1.0 1.8 3.808 1777 1279 A 79 GLU HGy A 79 GLU HA 1.0 1.8 3.808 1778 1280 A 79 GLU HA A 80 VAL HGy% 1.0 1.8 5.600 1779 1280 A 80 VAL HGx% A 79 GLU HA 1.0 1.8 5.600 1780 1281 A 73 LYS HEy A 79 GLU HBx 1.0 1.8 6.272 1781 1281 A 73 LYS HEx A 79 GLU HBx 1.0 1.8 6.272 1782 1281 A 79 GLU HBy A 73 LYS HEy 1.0 1.8 6.272 1783 1281 A 79 GLU HBy A 73 LYS HEx 1.0 1.8 6.272 1784 1282 A 80 VAL HA A 80 VAL HB 1.0 1.8 2.800 1785 1283 A 80 VAL HA A 80 VAL HGy% 1.0 1.8 3.136 1786 1283 A 80 VAL HGx% A 80 VAL HA 1.0 1.8 3.136 1787 1284 A 81 VAL HA A 71 LYS HGx 1.0 1.8 5.600 1788 1284 A 71 LYS HGy A 81 VAL HA 1.0 1.8 5.600 1789 1285 A 81 VAL HA A 82 PRO HDx 1.0 1.8 3.136 1790 1285 A 82 PRO HDy A 81 VAL HA 1.0 1.8 3.136 1791 1286 A 80 VAL HGx% A 82 PRO HA 1.0 1.8 4.080 1792 1287 A 82 PRO HA A 82 PRO HGy 1.0 1.8 3.808 1793 1287 A 82 PRO HA A 82 PRO HGx 1.0 1.8 3.808 1794 1288 A 66 VAL HGx% A 83 LYS HA 1.0 1.8 6.000 1795 1289 A 66 VAL HGy% A 83 LYS HA 1.0 1.8 6.000 1796 1290 A 83 LYS HA A 83 LYS HGx 1.0 1.8 3.808 1797 1290 A 83 LYS HGy A 83 LYS HA 1.0 1.8 3.808 1798 1291 A 83 LYS HA A 83 LYS HBx 1.0 1.8 3.808 1799 1291 A 83 LYS HBy A 83 LYS HA 1.0 1.8 3.808 1800 1292 A 63 ILE HG2% A 84 PRO HA 1.0 1.8 6.000 1801 1293 A 66 VAL HGy% A 84 PRO HA 1.0 1.8 4.080 1802 1294 A 84 PRO HA A 84 PRO HBy 1.0 1.8 3.136 1803 1294 A 84 PRO HA A 84 PRO HBx 1.0 1.8 3.136 1804 1295 A 63 ILE HG2% A 84 PRO HBy 1.0 1.8 4.570 1805 1295 A 63 ILE HG2% A 84 PRO HBx 1.0 1.8 4.570 1806 1296 A 66 VAL HGx% A 84 PRO HBy 1.0 1.8 4.570 1807 1296 A 66 VAL HGx% A 84 PRO HBx 1.0 1.8 4.570 1808 1297 A 83 LYS HA A 84 PRO HDy 1.0 1.8 3.136 1809 1297 A 84 PRO HDx A 83 LYS HA 1.0 1.8 3.136 1810 1298 A 66 VAL HGx% A 84 PRO HG2 1.0 1.8 4.570 1811 1298 A 66 VAL HGx% A 84 PRO HG3 1.0 1.8 4.570 1812 1299 A 83 LYS HA A 84 PRO HG2 1.0 1.8 3.808 1813 1299 A 83 LYS HA A 84 PRO HG3 1.0 1.8 3.808 1814 1300 A 84 PRO HA A 84 PRO HG2 1.0 1.8 3.808 1815 1300 A 84 PRO HA A 84 PRO HG3 1.0 1.8 3.808 1816 1301 A 85 GLN HA A 85 GLN HGy 1.0 1.8 3.808 1817 1301 A 85 GLN HGx A 85 GLN HA 1.0 1.8 3.808 1818 1302 A 63 ILE HG2% A 86 ARG HA 1.0 1.8 6.000 1819 1303 A 86 ARG HA A 87 HIS HD2 1.0 1.8 5.000 1820 1304 A 63 ILE HG2% A 86 ARG HDy 1.0 1.8 6.720 1821 1304 A 63 ILE HG2% A 86 ARG HDx 1.0 1.8 6.720 1822 1305 A 63 ILE HG2% A 86 ARG HGy 1.0 1.8 4.570 1823 1305 A 63 ILE HG2% A 86 ARG HGx 1.0 1.8 4.570 1824 1306 A 9 PHE HE% A 87 HIS HA 1.0 1.8 3.808 1825 1307 A 62 LEU HBy A 87 HIS HBy 1.0 1.8 6.272 1826 1307 A 62 LEU HBx A 87 HIS HBy 1.0 1.8 6.272 1827 1307 A 87 HIS HBx A 62 LEU HBx 1.0 1.8 6.272 1828 1307 A 62 LEU HBy A 87 HIS HBx 1.0 1.8 6.272 1829 1308 A 62 LEU HDx% A 87 HIS HBx 1.0 1.8 6.720 1830 1308 A 62 LEU HDx% A 87 HIS HBy 1.0 1.8 6.720 1831 1309 A 87 HIS HD2 A 87 HIS HBy 1.0 1.8 5.600 1832 1309 A 87 HIS HBx A 87 HIS HD2 1.0 1.8 5.600 1833 1310 A 87 HIS HD2 A 40 VAL HGy% 1.0 1.8 6.000 1834 1311 A 62 LEU HG A 87 HIS HD2 1.0 1.8 5.000 1835 1312 A 61 ARG HA A 88 MET HA 1.0 1.8 3.400 1836 1313 A 88 MET HA A 88 MET HE% 1.0 1.8 5.600 1837 1314 A 88 MET HA A 88 MET HGx 1.0 1.8 5.600 1838 1314 A 88 MET HA A 88 MET HGy 1.0 1.8 5.600 1839 1315 A 61 ARG HA A 88 MET HBy 1.0 1.8 5.600 1840 1315 A 61 ARG HA A 88 MET HBx 1.0 1.8 5.600 1841 1316 A 88 MET HE% A 59 MET HGy 1.0 1.8 6.272 1842 1316 A 59 MET HGx A 88 MET HE% 1.0 1.8 6.272 1843 1317 A 61 ARG HA A 88 MET HGx 1.0 1.8 5.600 1844 1317 A 61 ARG HA A 88 MET HGy 1.0 1.8 5.600 1845 1318 A 9 PHE HA A 89 PHE HA 1.0 1.8 5.000 1846 1319 A 9 PHE HD% A 89 PHE HA 1.0 1.8 5.600 1847 1320 A 89 PHE HD% A 89 PHE HA 1.0 1.8 3.808 1848 1321 A 89 PHE HE% A 89 PHE HA 1.0 1.8 5.600 1849 1322 A 89 PHE HD% A 27 LEU HDx% 1.0 1.8 6.720 1850 1323 A 89 PHE HD% A 62 LEU HDx% 1.0 1.8 4.570 1851 1324 A 27 LEU HDx% A 89 PHE HE% 1.0 1.8 4.570 1852 1325 A 89 PHE HE% A 40 VAL HGy% 1.0 1.8 4.570 1853 1326 A 90 SER HA A 59 MET HA 1.0 1.8 3.400 1854 1327 A 90 SER HA A 59 MET HGy 1.0 1.8 5.600 1855 1327 A 90 SER HA A 59 MET HGx 1.0 1.8 5.600 1856 1328 A 90 SER HA A 91 PHE HD% 1.0 1.8 5.600 1857 1329 A 59 MET HA A 90 SER HBy 1.0 1.8 5.600 1858 1329 A 90 SER HBx A 59 MET HA 1.0 1.8 5.600 1859 1330 A 59 MET HE% A 90 SER HBy 1.0 1.8 6.272 1860 1330 A 90 SER HBx A 59 MET HE% 1.0 1.8 6.272 1861 1331 A 59 MET HGx A 90 SER HBy 1.0 1.8 6.272 1862 1331 A 59 MET HGy A 90 SER HBy 1.0 1.8 6.272 1863 1331 A 90 SER HBx A 59 MET HGy 1.0 1.8 6.272 1864 1331 A 90 SER HBx A 59 MET HGx 1.0 1.8 6.272 1865 1332 A 8 ILE HD1% A 91 PHE HA 1.0 1.8 6.000 1866 1333 A 91 PHE HA A 91 PHE HD% 1.0 1.8 5.600 1867 1334 A 91 PHE HE% A 100 ILE HB 1.0 1.8 5.600 1868 1335 A 16 ILE HD1% A 91 PHE HZ 1.0 1.8 4.080 1869 1336 A 92 ASN HA A 92 ASN HBy 1.0 1.8 3.136 1870 1336 A 92 ASN HBx A 92 ASN HA 1.0 1.8 3.136 1871 1337 A 6 ALA HB% A 92 ASN HBy 1.0 1.8 6.272 1872 1337 A 6 ALA HB% A 92 ASN HBx 1.0 1.8 6.272 1873 1338 A 8 ILE HD1% A 92 ASN HBy 1.0 1.8 6.720 1874 1338 A 8 ILE HD1% A 92 ASN HBx 1.0 1.8 6.720 1875 1339 A 93 ASN HA A 96 VAL HGy% 1.0 1.8 6.000 1876 1340 A 93 ASN HA A 93 ASN HBy 1.0 1.8 3.808 1877 1340 A 93 ASN HA A 93 ASN HBx 1.0 1.8 3.808 1878 1341 A 94 ARG HA A 58 MET HE% 1.0 1.8 3.808 1879 1342 A 94 ARG HA A 94 ARG HDx 1.0 1.8 3.808 1880 1342 A 94 ARG HA A 94 ARG HDy 1.0 1.8 3.808 1881 1343 A 94 ARG HA A 97 MET HBy 1.0 1.8 3.808 1882 1343 A 94 ARG HA A 97 MET HBx 1.0 1.8 3.808 1883 1344 A 95 THR HA A 98 ASP HBy 1.0 1.8 5.600 1884 1344 A 95 THR HA A 98 ASP HBx 1.0 1.8 5.600 1885 1345 A 95 THR HB A 95 THR HA 1.0 1.8 2.800 1886 1346 A 95 THR HG2% A 95 THR HA 1.0 1.8 3.360 1887 1347 A 96 VAL HGx% A 96 VAL HA 1.0 1.8 3.360 1888 1348 A 96 VAL HA A 96 VAL HGy% 1.0 1.8 3.360 1889 1349 A 96 VAL HA A 99 ASN HBx 1.0 1.8 5.600 1890 1349 A 96 VAL HA A 99 ASN HBy 1.0 1.8 5.600 1891 1350 A 96 VAL HB A 93 ASN HBy 1.0 1.8 5.600 1892 1350 A 96 VAL HB A 93 ASN HBx 1.0 1.8 5.600 1893 1351 A 96 VAL HGx% A 91 PHE HD% 1.0 1.8 6.720 1894 1352 A 96 VAL HGx% A 91 PHE HE% 1.0 1.8 3.763 1895 1353 A 96 VAL HGx% A 99 ASN HBy 1.0 1.8 6.720 1896 1353 A 96 VAL HGx% A 99 ASN HBx 1.0 1.8 6.720 1897 1354 A 100 ILE HD1% A 96 VAL HGx% 1.0 1.8 4.896 1898 1355 A 93 ASN HBy A 96 VAL HGy% 1.0 1.8 4.570 1899 1355 A 93 ASN HBx A 96 VAL HGy% 1.0 1.8 4.570 1900 1356 A 95 THR HB A 96 VAL HGy% 1.0 1.8 4.080 1901 1357 A 97 MET HE% A 94 ARG HA 1.0 1.8 3.808 1902 1358 A 98 ASP HA A 101 LYS HBx 1.0 1.8 3.808 1903 1358 A 98 ASP HA A 101 LYS HBy 1.0 1.8 3.808 1904 1359 A 99 ASN HA A 102 MET HE% 1.0 1.8 3.808 1905 1360 A 100 ILE HA A 18 ILE HD1% 1.0 1.8 4.080 1906 1361 A 100 ILE HD1% A 100 ILE HA 1.0 1.8 3.360 1907 1362 A 100 ILE HA A 100 ILE HG1y 1.0 1.8 6.000 1908 1362 A 100 ILE HG1x A 100 ILE HA 1.0 1.8 6.000 1909 1363 A 100 ILE HA A 103 THR HB 1.0 1.8 3.400 1910 1364 A 100 ILE HD1% A 100 ILE HB 1.0 1.8 4.080 1911 1365 A 100 ILE HD1% A 5 GLY HAx 1.0 1.8 6.720 1912 1365 A 100 ILE HD1% A 5 GLY HAy 1.0 1.8 6.720 1913 1366 A 17 ALA HA A 100 ILE HD1% 1.0 1.8 6.000 1914 1367 A 100 ILE HD1% A 18 ILE HG1y 1.0 1.8 4.032 1915 1367 A 100 ILE HD1% A 18 ILE HG1x 1.0 1.8 4.032 1916 1368 A 100 ILE HD1% A 91 PHE HE% 1.0 1.8 6.720 1917 1369 A 16 ILE HD1% A 100 ILE HG2% 1.0 1.8 4.896 1918 1370 A 48 LEU HDx% A 101 LYS HA 1.0 1.8 6.000 1919 1371 A 98 ASP HA A 101 LYS HEy 1.0 1.8 3.808 1920 1371 A 98 ASP HA A 101 LYS HEx 1.0 1.8 3.808 1921 1372 A 102 MET HA A 105 GLN HBy 1.0 1.8 5.600 1922 1372 A 102 MET HA A 105 GLN HBx 1.0 1.8 5.600 1923 1373 A 99 ASN HA A 102 MET HBy 1.0 1.8 5.600 1924 1373 A 99 ASN HA A 102 MET HBx 1.0 1.8 5.600 1925 1374 A 102 MET HA A 102 MET HE% 1.0 1.8 5.600 1926 1375 A 99 ASN HA A 102 MET HGy 1.0 1.8 5.600 1927 1375 A 99 ASN HA A 102 MET HGx 1.0 1.8 5.600 1928 1376 A 102 MET HA A 102 MET HGy 1.0 1.8 3.808 1929 1376 A 102 MET HGx A 102 MET HA 1.0 1.8 3.808 1930 1377 A 3 HIS HA A 103 THR HG2% 1.0 1.8 6.000 1931 1378 A 103 THR HG2% A 3 HIS HD2 1.0 1.8 4.080 1932 1379 A 18 ILE HB A 103 THR HG2% 1.0 1.8 4.080 1933 1380 A 103 THR HG2% A 18 ILE HG1y 1.0 1.8 4.896 1934 1380 A 18 ILE HG1x A 103 THR HG2% 1.0 1.8 4.896 1935 1381 A 100 ILE HA A 103 THR HG2% 1.0 1.8 6.000 1936 1382 A 103 THR HA A 103 THR HG2% 1.0 1.8 3.360 1937 1383 A 103 THR HG2% A 107 ILE HD1% 1.0 1.8 4.032 1938 1384 A 107 ILE HB A 104 LEU HA 1.0 1.8 5.000 1939 1385 A 104 LEU HDy% A 18 ILE HG1y 1.0 1.8 4.570 1940 1385 A 18 ILE HG1x A 104 LEU HDy% 1.0 1.8 4.570 1941 1386 A 104 LEU HDy% A 42 LEU HDy% 1.0 1.8 3.512 1942 1387 A 104 LEU HDy% A 62 LEU HDy% 1.0 1.8 3.512 1943 1388 A 101 LYS HA A 104 LEU HDy% 1.0 1.8 5.600 1944 1389 A 104 LEU HA A 104 LEU HDy% 1.0 1.8 3.136 1945 1390 A 105 GLN HA A 105 GLN HGy 1.0 1.8 5.600 1946 1390 A 105 GLN HGx A 105 GLN HA 1.0 1.8 5.600 1947 1391 A 105 GLN HA A 108 ILE HB 1.0 1.8 5.000 1948 1392 A 105 GLN HBx A 48 LEU HDy% 1.0 1.8 6.272 1949 1392 A 48 LEU HDy% A 105 GLN HBy 1.0 1.8 6.272 1950 1393 A 102 MET HA A 105 GLN HGy 1.0 1.8 5.600 1951 1393 A 102 MET HA A 105 GLN HGx 1.0 1.8 5.600 1952 1394 A 103 THR HA A 106 GLN HBy 1.0 1.8 5.600 1953 1394 A 103 THR HA A 106 GLN HBx 1.0 1.8 5.600 1954 1395 A 103 THR HA A 106 GLN HGx 1.0 1.8 3.808 1955 1395 A 103 THR HA A 106 GLN HGy 1.0 1.8 3.808 1956 1396 A 106 GLN HA A 106 GLN HGx 1.0 1.8 3.808 1957 1396 A 106 GLN HGy A 106 GLN HA 1.0 1.8 3.808 1958 1397 A 107 ILE HA A 110 ARG HBx 1.0 1.8 5.600 1959 1397 A 107 ILE HA A 110 ARG HBy 1.0 1.8 5.600 1960 1398 A 107 ILE HA A 110 ARG HGy 1.0 1.8 5.600 1961 1398 A 107 ILE HA A 110 ARG HGx 1.0 1.8 5.600 1962 1399 A 111 TYR HE% A 107 ILE HA 1.0 1.8 3.808 1963 1400 A 107 ILE HD1% A 20 GLU HGx 1.0 1.8 6.720 1964 1400 A 20 GLU HGy A 107 ILE HD1% 1.0 1.8 6.720 1965 1401 A 25 ALA HB% A 107 ILE HD1% 1.0 1.8 3.763 1966 1402 A 107 ILE HD1% A 104 LEU HA 1.0 1.8 4.080 1967 1403 A 25 ALA HB% A 107 ILE HG2% 1.0 1.8 3.763 1968 1404 A 107 ILE HG2% A 42 LEU HBy 1.0 1.8 4.570 1969 1404 A 42 LEU HBx A 107 ILE HG2% 1.0 1.8 4.570 1970 1405 A 107 ILE HG2% A 104 LEU HA 1.0 1.8 6.000 1971 1406 A 107 ILE HA A 107 ILE HG2% 1.0 1.8 3.360 1972 1407 A 107 ILE HG2% A 108 ILE HA 1.0 1.8 6.000 1973 1408 A 111 TYR HD% A 107 ILE HG2% 1.0 1.8 4.570 1974 1409 A 111 TYR HE% A 107 ILE HG2% 1.0 1.8 3.763 1975 1410 A 111 TYR HD% A 108 ILE HA 1.0 1.8 5.600 1976 1411 A 111 TYR HE% A 108 ILE HA 1.0 1.8 5.600 1977 1412 A 45 ILE HB A 108 ILE HD1% 1.0 1.8 4.080 1978 1413 A 108 ILE HD1% A 48 LEU HA 1.0 1.8 6.000 1979 1414 A 108 ILE HD1% A 48 LEU HDx% 1.0 1.8 4.032 1980 1415 A 108 ILE HD1% A 48 LEU HG 1.0 1.8 6.000 1981 1416 A 108 ILE HD1% A 105 GLN HA 1.0 1.8 4.080 1982 1417 A 45 ILE HB A 108 ILE HG2% 1.0 1.8 6.000 1983 1418 A 108 ILE HA A 108 ILE HG2% 1.0 1.8 3.360 1984 1419 A 108 ILE HG2% A 109 SER HA 1.0 1.8 6.000 1985 1420 A 111 TYR HD% A 108 ILE HG2% 1.0 1.8 4.570 1986 1421 A 108 ILE HG2% A 112 LYS HEy 1.0 1.8 4.570 1987 1421 A 108 ILE HG2% A 112 LYS HEx 1.0 1.8 4.570 1988 1422 A 108 ILE HG2% A 112 LYS HGy 1.0 1.8 4.570 1989 1422 A 108 ILE HG2% A 112 LYS HGx 1.0 1.8 4.570 1990 1423 A 109 SER HA A 109 SER HBx 1.0 1.8 3.808 1991 1423 A 109 SER HBy A 109 SER HA 1.0 1.8 3.808 1992 1424 A 109 SER HA A 112 LYS HBy 1.0 1.8 5.600 1993 1424 A 109 SER HA A 112 LYS HBx 1.0 1.8 5.600 1994 1425 A 109 SER HBy A 110 ARG HBx 1.0 1.8 6.272 1995 1425 A 109 SER HBx A 110 ARG HBx 1.0 1.8 6.272 1996 1425 A 110 ARG HBy A 109 SER HBx 1.0 1.8 6.272 1997 1425 A 109 SER HBy A 110 ARG HBy 1.0 1.8 6.272 1998 1426 A 110 ARG HA A 110 ARG HBx 1.0 1.8 3.136 1999 1426 A 110 ARG HA A 110 ARG HBy 1.0 1.8 3.136 2000 1427 A 110 ARG HA A 113 ASP HBx 1.0 1.8 3.808 2001 1427 A 110 ARG HA A 113 ASP HBy 1.0 1.8 3.808 2002 1428 A 110 ARG HBy A 110 ARG HDy 1.0 1.8 4.265 2003 1428 A 110 ARG HBx A 110 ARG HDy 1.0 1.8 4.265 2004 1428 A 110 ARG HDx A 110 ARG HBx 1.0 1.8 4.265 2005 1428 A 110 ARG HDx A 110 ARG HBy 1.0 1.8 4.265 2006 1429 A 107 ILE HA A 110 ARG HDy 1.0 1.8 5.600 2007 1429 A 107 ILE HA A 110 ARG HDx 1.0 1.8 5.600 2008 1430 A 110 ARG HA A 110 ARG HDy 1.0 1.8 5.600 2009 1430 A 110 ARG HDx A 110 ARG HA 1.0 1.8 5.600 2010 1431 A 111 TYR HE% A 110 ARG HDy 1.0 1.8 6.272 2011 1431 A 111 TYR HE% A 110 ARG HDx 1.0 1.8 6.272 2012 1432 A 110 ARG HA A 110 ARG HGy 1.0 1.8 3.808 2013 1432 A 110 ARG HGx A 110 ARG HA 1.0 1.8 3.808 2014 1433 A 111 TYR HA A 111 TYR HBy 1.0 1.8 5.600 2015 1433 A 111 TYR HA A 111 TYR HBx 1.0 1.8 5.600 2016 1434 A 111 TYR HD% A 111 TYR HA 1.0 1.8 5.600 2017 1435 A 108 ILE HA A 111 TYR HBy 1.0 1.8 5.600 2018 1435 A 108 ILE HA A 111 TYR HBx 1.0 1.8 5.600 2019 1436 A 111 TYR HD% A 43 SER HA 1.0 1.8 3.808 2020 1437 A 24 PRO HA A 111 TYR HE% 1.0 1.8 5.600 2021 1438 A 25 ALA HB% A 111 TYR HE% 1.0 1.8 4.265 2022 1439 A 111 TYR HE% A 42 LEU HBy 1.0 1.8 6.272 2023 1439 A 111 TYR HE% A 42 LEU HBx 1.0 1.8 6.272 2024 1440 A 111 TYR HE% A 43 SER HA 1.0 1.8 5.600 2025 1441 A 111 TYR HE% A 108 ILE HD1% 1.0 1.8 3.763 2026 1442 A 112 LYS HA A 112 LYS HDy 1.0 1.8 3.136 2027 1442 A 112 LYS HA A 112 LYS HDx 1.0 1.8 3.136 2028 1443 A 112 LYS HA A 115 ASP HBy 1.0 1.8 5.600 2029 1443 A 112 LYS HA A 115 ASP HBx 1.0 1.8 5.600 2030 1444 A 112 LYS HA A 112 LYS HBy 1.0 1.8 3.808 2031 1444 A 112 LYS HA A 112 LYS HBx 1.0 1.8 3.808 2032 1445 A 112 LYS HBx A 112 LYS HEy 1.0 1.8 6.272 2033 1445 A 112 LYS HBy A 112 LYS HEy 1.0 1.8 6.272 2034 1445 A 112 LYS HEx A 112 LYS HBy 1.0 1.8 6.272 2035 1445 A 112 LYS HBx A 112 LYS HEx 1.0 1.8 6.272 2036 1446 A 108 ILE HG2% A 112 LYS HDy 1.0 1.8 3.763 2037 1446 A 108 ILE HG2% A 112 LYS HDx 1.0 1.8 3.763 2038 1447 A 109 SER HA A 112 LYS HDy 1.0 1.8 3.808 2039 1447 A 109 SER HA A 112 LYS HDx 1.0 1.8 3.808 2040 1448 A 112 LYS HBy A 112 LYS HDy 1.0 1.8 3.512 2041 1448 A 112 LYS HBx A 112 LYS HDy 1.0 1.8 3.512 2042 1448 A 112 LYS HDx A 112 LYS HBy 1.0 1.8 3.512 2043 1448 A 112 LYS HBx A 112 LYS HDx 1.0 1.8 3.512 2044 1449 A 112 LYS HA A 112 LYS HEy 1.0 1.8 5.600 2045 1449 A 112 LYS HA A 112 LYS HEx 1.0 1.8 5.600 2046 1450 A 112 LYS HDy A 112 LYS HEy 1.0 1.8 3.512 2047 1450 A 112 LYS HDx A 112 LYS HEy 1.0 1.8 3.512 2048 1450 A 112 LYS HEx A 112 LYS HDy 1.0 1.8 3.512 2049 1450 A 112 LYS HEx A 112 LYS HDx 1.0 1.8 3.512 2050 1451 A 109 SER HA A 112 LYS HGy 1.0 1.8 5.600 2051 1451 A 109 SER HA A 112 LYS HGx 1.0 1.8 5.600 2052 1452 A 112 LYS HA A 112 LYS HGy 1.0 1.8 3.808 2053 1452 A 112 LYS HA A 112 LYS HGx 1.0 1.8 3.808 2054 1453 A 112 LYS HBy A 112 LYS HGy 1.0 1.8 4.265 2055 1453 A 112 LYS HBx A 112 LYS HGy 1.0 1.8 4.265 2056 1453 A 112 LYS HGx A 112 LYS HBy 1.0 1.8 4.265 2057 1453 A 112 LYS HBx A 112 LYS HGx 1.0 1.8 4.265 2058 1454 A 113 ASP HA A 113 ASP HBx 1.0 1.8 3.136 2059 1454 A 113 ASP HA A 113 ASP HBy 1.0 1.8 3.136 2060 1455 A 114 ALA HA A 113 ASP HBx 1.0 1.8 5.600 2061 1455 A 113 ASP HBy A 114 ALA HA 1.0 1.8 5.600 2062 1456 A 114 ALA HA A 115 ASP HA 1.0 1.8 5.000 2063 1457 A 111 TYR HA A 114 ALA HB% 1.0 1.8 3.808 2064 1458 A 114 ALA HB% A 113 ASP HBx 1.0 1.8 6.272 2065 1458 A 113 ASP HBy A 114 ALA HB% 1.0 1.8 6.272 2066 1459 A 114 ALA HB% A 115 ASP HA 1.0 1.8 5.600 2067 1460 B 671 GLU H B 670 PHE HA 1.0 1.8 3.400 2068 1461 B 677 SER H B 676 LYS HA 1.0 1.8 3.400 2069 1462 B 670 PHE H B 669 LEU HA 1.0 1.8 3.400 2070 1463 B 678 GLN H B 677 SER HA 1.0 1.8 3.400 2071 1464 B 680 SER H B 679 ILE HA 1.0 1.8 3.400 2072 1465 B 667 GLU H B 666 SER HA 1.0 1.8 3.400 2073 1466 B 669 LEU H B 668 GLU HA 1.0 1.8 3.400 2074 1467 B 668 GLU H B 667 GLU HA 1.0 1.8 2.800 2075 1468 B 665 LEU H B 664 VAL HA 1.0 1.8 2.800 2076 1469 B 662 LEU H B 661 ASP HA 1.0 1.8 2.800 2077 1470 B 666 SER H B 665 LEU HA 1.0 1.8 2.800 2078 1471 B 664 VAL H B 663 GLU HA 1.0 1.8 2.800 2079 1472 B 679 ILE H B 678 GLN HA 1.0 1.8 2.800 2080 1473 B 673 VAL H B 673 VAL HA 1.0 1.8 5.000 2081 1474 B 671 GLU H B 671 GLU HA 1.0 1.8 5.000 2082 1475 B 680 SER H B 680 SER HA 1.0 1.8 5.000 2083 1476 B 670 PHE HA B 670 PHE H 1.0 1.8 3.400 2084 1477 B 667 GLU H B 667 GLU HA 1.0 1.8 3.400 2085 1478 B 665 LEU H B 665 LEU HA 1.0 1.8 3.400 2086 1479 B 677 SER H B 677 SER HA 1.0 1.8 3.400 2087 1480 B 679 ILE HA B 679 ILE H 1.0 1.8 3.400 2088 1481 B 664 VAL HA B 664 VAL H 1.0 1.8 3.400 2089 1482 B 669 LEU HA B 669 LEU H 1.0 1.8 3.400 2090 1483 B 662 LEU H B 662 LEU HA 1.0 1.8 3.400 2091 1484 B 678 GLN H B 678 GLN HA 1.0 1.8 3.400 2092 1485 B 672 ASP H B 672 ASP HA 1.0 1.8 3.400 2093 1486 B 666 SER HA B 666 SER H 1.0 1.8 3.400 2094 1487 B 663 GLU HA B 663 GLU H 1.0 1.8 2.800 2095 1488 B 662 LEU H B 663 GLU H 1.0 1.8 3.400 2096 1489 B 664 VAL H B 663 GLU H 1.0 1.8 3.400 2097 1490 B 665 LEU H B 664 VAL H 1.0 1.8 3.400 2098 1491 B 667 GLU H B 666 SER H 1.0 1.8 3.400 2099 1492 B 669 LEU H B 668 GLU H 1.0 1.8 3.400 2100 1493 B 670 PHE H B 669 LEU H 1.0 1.8 3.400 2101 1494 B 671 GLU H B 670 PHE H 1.0 1.8 5.000 2102 1495 B 677 SER H B 676 LYS H 1.0 1.8 5.000 2103 1496 B 678 GLN H B 679 ILE H 1.0 1.8 5.000 2104 1497 B 680 SER H B 679 ILE H 1.0 1.8 3.400 2105 1498 A 59 MET HE% B 665 LEU HDx% 1.0 2.8 6.000 2106 1499 A 59 MET HE% B 665 LEU HDy% 1.0 2.8 6.000 2107 1500 B 670 PHE HE% A 59 MET HBx 1.0 1.8 6.000 2108 1500 A 59 MET HBy B 670 PHE HE% 1.0 1.8 6.000 2109 1501 B 670 PHE HE% A 59 MET HGy 1.0 1.8 6.000 2110 1501 A 59 MET HGx B 670 PHE HE% 1.0 1.8 6.000 2111 1502 A 59 MET HE% B 666 SER HA 1.0 1.8 6.000 2112 1503 A 59 MET HE% B 666 SER HBx 1.0 1.8 6.000 2113 1503 A 59 MET HE% B 666 SER HBy 1.0 1.8 6.000 2114 1504 A 59 MET HE% B 669 LEU HDy% 1.0 1.8 5.000 2115 1504 A 59 MET HE% B 669 LEU HDx% 1.0 1.8 5.000 2116 1505 A 59 MET HE% B 670 PHE HD% 1.0 1.8 6.000 2117 1506 A 59 MET HE% B 670 PHE HE% 1.0 1.8 6.000 2118 1507 A 50 ALA HA B 670 PHE HD% 1.0 1.8 5.000 2119 1508 A 51 THR HG2% B 670 PHE HD% 1.0 1.8 6.000 2120 1509 A 51 THR HG2% B 670 PHE HE% 1.0 1.8 6.000 2121 1510 B 665 LEU HDx% A 57 LYS HDx 1.0 1.8 6.000 2122 1510 A 57 LYS HDy B 665 LEU HDx% 1.0 1.8 6.000 2123 1511 B 665 LEU HDx% A 57 LYS HEy 1.0 1.8 6.000 2124 1511 A 57 LYS HEx B 665 LEU HDx% 1.0 1.8 6.000 2125 1512 A 57 LYS HEx B 669 LEU HDx% 1.0 1.8 6.000 2126 1512 B 669 LEU HDx% A 57 LYS HEy 1.0 1.8 6.000 2127 1513 A 57 LYS HGx B 669 LEU HDx% 1.0 1.8 6.000 2128 1513 B 669 LEU HDx% A 57 LYS HGy 1.0 1.8 6.000 2129 1514 B 669 LEU HDx% A 57 LYS HDx 1.0 1.8 6.000 2130 1514 A 57 LYS HDy B 669 LEU HDx% 1.0 1.8 6.000 2131 1515 B 665 LEU HDy% A 57 LYS HDx 1.0 1.8 6.000 2132 1515 A 57 LYS HDy B 665 LEU HDy% 1.0 1.8 6.000 2133 1516 B 665 LEU HDy% A 57 LYS HEy 1.0 1.8 6.000 2134 1516 A 57 LYS HEx B 665 LEU HDy% 1.0 1.8 6.000 2135 1517 A 57 LYS HEy B 669 LEU HDy% 1.0 1.8 6.000 2136 1517 A 57 LYS HEx B 669 LEU HDy% 1.0 1.8 6.000 2137 1518 A 57 LYS HGy B 669 LEU HDy% 1.0 1.8 6.000 2138 1518 A 57 LYS HGx B 669 LEU HDy% 1.0 1.8 6.000 2139 1519 A 57 LYS HDy B 669 LEU HDy% 1.0 1.8 6.000 2140 1519 A 57 LYS HDx B 669 LEU HDy% 1.0 1.8 6.000 2141 1520 A 88 MET HE% B 665 LEU HDx% 1.0 1.8 6.000 2142 1521 A 88 MET HE% B 665 LEU HDy% 1.0 1.8 6.000 2143 1522 B 670 PHE HE% A 88 MET HGx 1.0 1.8 6.000 2144 1522 A 88 MET HGy B 670 PHE HE% 1.0 1.8 6.000 2145 1523 B 670 PHE HD% A 88 MET HGx 1.0 1.8 6.000 2146 1523 A 88 MET HGy B 670 PHE HD% 1.0 1.8 6.000 2147 1524 A 88 MET HE% B 670 PHE HBx 1.0 1.8 6.000 2148 1524 A 88 MET HE% B 670 PHE HBy 1.0 1.8 6.000 2149 1525 A 88 MET HE% B 670 PHE HD% 1.0 1.8 5.000 2150 1526 A 88 MET HE% B 670 PHE HE% 1.0 1.8 5.000 2151 1527 A 49 GLN HA B 673 VAL HGx% 1.0 1.8 6.000 2152 1527 A 49 GLN HA B 673 VAL HGy% 1.0 1.8 6.000 2153 1528 A 49 GLN HA B 672 ASP HA 1.0 1.8 6.000 2154 1529 B 672 ASP HA A 49 GLN HB2 1.0 1.8 6.000 2155 1529 A 49 GLN HB3 B 672 ASP HA 1.0 1.8 6.000 2156 1530 B 672 ASP HA A 49 GLN HGy 1.0 1.8 6.000 2157 1530 A 49 GLN HGx B 672 ASP HA 1.0 1.8 6.000 2158 1531 A 49 GLN HB2 B 672 ASP HBy 1.0 1.8 6.000 2159 1531 A 49 GLN HB3 B 672 ASP HBy 1.0 1.8 6.000 2160 1531 B 672 ASP HBx A 49 GLN HB2 1.0 1.8 6.000 2161 1531 A 49 GLN HB3 B 672 ASP HBx 1.0 1.8 6.000 2162 1532 A 49 GLN HGy B 672 ASP HBy 1.0 1.8 6.000 2163 1532 A 49 GLN HGx B 672 ASP HBy 1.0 1.8 6.000 2164 1532 B 672 ASP HBx A 49 GLN HGy 1.0 1.8 6.000 2165 1532 A 49 GLN HGx B 672 ASP HBx 1.0 1.8 6.000 2166 1533 A 50 ALA HA B 673 VAL HGx% 1.0 1.8 6.000 2167 1533 A 50 ALA HA B 673 VAL HGy% 1.0 1.8 6.000 2168 1534 A 50 ALA HB% B 673 VAL HGx% 1.0 1.8 6.000 2169 1534 A 50 ALA HB% B 673 VAL HGy% 1.0 1.8 6.000 2170 1535 A 60 LEU HDx% B 673 VAL HGx% 1.0 1.8 6.000 2171 1535 A 60 LEU HDy% B 673 VAL HGx% 1.0 1.8 6.000 2172 1535 B 673 VAL HGy% A 60 LEU HDy% 1.0 1.8 6.000 2173 1535 B 673 VAL HGy% A 60 LEU HDx% 1.0 1.8 6.000 2174 1536 A 105 GLN HBy B 673 VAL HGx% 1.0 1.8 6.000 2175 1536 A 105 GLN HBx B 673 VAL HGx% 1.0 1.8 6.000 2176 1536 B 673 VAL HGy% A 105 GLN HBy 1.0 1.8 6.000 2177 1536 A 105 GLN HBx B 673 VAL HGy% 1.0 1.8 6.000 2178 1537 A 105 GLN HA B 673 VAL HGx% 1.0 1.8 6.000 2179 1537 A 105 GLN HA B 673 VAL HGy% 1.0 1.8 6.000 2180 1538 A 105 GLN HGy B 673 VAL HGx% 1.0 1.8 6.000 2181 1538 B 673 VAL HGy% A 105 GLN HGy 1.0 1.8 6.000 2182 1538 A 105 GLN HGx B 673 VAL HGy% 1.0 1.8 6.000 2183 1538 A 105 GLN HGx B 673 VAL HGx% 1.0 1.8 6.000 2184 1539 B 675 THR HG2% A 105 GLN HGy 1.0 1.8 6.000 2185 1539 A 105 GLN HGx B 675 THR HG2% 1.0 1.8 6.000 2186 1540 A 105 GLN HA B 675 THR HG2% 1.0 1.8 6.000 2187 1541 B 675 THR HA A 105 GLN HGy 1.0 1.8 6.000 2188 1541 A 105 GLN HGx B 675 THR HA 1.0 1.8 6.000 2189 1542 A 108 ILE HG2% B 675 THR HA 1.0 1.8 6.000 2190 1543 A 108 ILE HG2% B 675 THR HB 1.0 1.8 5.000 2191 1544 A 108 ILE HD1% B 675 THR HG2% 1.0 1.8 5.000 2192 1545 A 108 ILE HG2% B 675 THR HG2% 1.0 1.8 5.000 2193 1546 A 108 ILE HB B 675 THR HG2% 1.0 1.8 6.000 2194 1547 B 675 THR HA A 109 SER HBx 1.0 1.8 6.000 2195 1547 A 109 SER HBy B 675 THR HA 1.0 1.8 6.000 2196 1548 A 109 SER HA B 675 THR HA 1.0 1.8 6.000 2197 1549 B 675 THR HB A 109 SER HBx 1.0 1.8 6.000 2198 1549 A 109 SER HBy B 675 THR HB 1.0 1.8 6.000 2199 1550 A 109 SER HA B 675 THR HB 1.0 1.8 6.000 2200 1551 A 109 SER HA B 675 THR HG2% 1.0 1.8 6.000 2201 1552 B 675 THR HG2% A 109 SER HBx 1.0 1.8 6.000 2202 1552 A 109 SER HBy B 675 THR HG2% 1.0 1.8 6.000 2203 1553 B 675 THR HA A 112 LYS HDy 1.0 1.8 6.000 2204 1553 A 112 LYS HDx B 675 THR HA 1.0 1.8 6.000 2205 1554 B 675 THR HA A 112 LYS HEy 1.0 1.8 6.000 2206 1554 A 112 LYS HEx B 675 THR HA 1.0 1.8 6.000 2207 1555 B 675 THR HB A 112 LYS HGy 1.0 1.8 6.000 2208 1555 A 112 LYS HGx B 675 THR HB 1.0 1.8 6.000 2209 1556 B 675 THR HB A 112 LYS HDy 1.0 1.8 6.000 2210 1556 A 112 LYS HDx B 675 THR HB 1.0 1.8 6.000 2211 1557 B 675 THR HB A 112 LYS HEy 1.0 1.8 6.000 2212 1557 A 112 LYS HEx B 675 THR HB 1.0 1.8 6.000 2213 1558 B 675 THR HG2% A 112 LYS HDy 1.0 1.8 6.000 2214 1558 A 112 LYS HDx B 675 THR HG2% 1.0 1.8 6.000 2215 1559 B 675 THR HG2% A 112 LYS HEy 1.0 1.8 6.000 2216 1559 A 112 LYS HEx B 675 THR HG2% 1.0 1.8 6.000 2217 1560 A 101 LYS HA B 673 VAL HGx% 1.0 1.8 6.000 2218 1560 A 101 LYS HA B 673 VAL HGy% 1.0 1.8 6.000 2219 1561 A 101 LYS HDy B 673 VAL HGx% 1.0 1.8 5.000 2220 1561 A 101 LYS HDx B 673 VAL HGx% 1.0 1.8 5.000 2221 1561 B 673 VAL HGy% A 101 LYS HDy 1.0 1.8 5.000 2222 1561 A 101 LYS HDx B 673 VAL HGy% 1.0 1.8 5.000 2223 1562 A 101 LYS HEx B 673 VAL HGx% 1.0 1.8 5.000 2224 1562 A 101 LYS HEy B 673 VAL HGx% 1.0 1.8 5.000 2225 1562 B 673 VAL HGy% A 101 LYS HEy 1.0 1.8 5.000 2226 1562 A 101 LYS HEx B 673 VAL HGy% 1.0 1.8 5.000 2227 1563 A 48 LEU HA B 673 VAL HGx% 1.0 1.8 6.000 2228 1563 A 48 LEU HA B 673 VAL HGy% 1.0 1.8 6.000 2229 1564 A 48 LEU HBx B 673 VAL HGx% 1.0 1.8 6.000 2230 1564 A 48 LEU HBy B 673 VAL HGx% 1.0 1.8 6.000 2231 1564 B 673 VAL HGy% A 48 LEU HBx 1.0 1.8 6.000 2232 1564 A 48 LEU HBy B 673 VAL HGy% 1.0 1.8 6.000 2233 1565 B 675 THR HG2% A 48 LEU HBx 1.0 1.8 6.000 2234 1565 A 48 LEU HBy B 675 THR HG2% 1.0 1.8 6.000 2235 1566 B 673 VAL HB A 48 LEU HBx 1.0 1.8 6.000 2236 1566 A 48 LEU HBy B 673 VAL HB 1.0 1.8 6.000 2237 1567 A 48 LEU HG B 673 VAL HGx% 1.0 1.8 5.000 2238 1567 A 48 LEU HG B 673 VAL HGy% 1.0 1.8 5.000 2239 1568 A 48 LEU HG B 673 VAL HB 1.0 1.8 6.000 2240 1569 B 673 VAL HB A 48 LEU HDy% 1.0 1.8 6.000 2241 1569 A 48 LEU HDx% B 673 VAL HB 1.0 1.8 6.000 2242 1570 B 675 THR HG2% A 48 LEU HDy% 1.0 1.8 5.000 2243 1570 A 48 LEU HDx% B 675 THR HG2% 1.0 1.8 5.000 2244 1571 A 48 LEU HDx% B 673 VAL HGx% 1.0 1.8 5.000 2245 1571 A 48 LEU HDy% B 673 VAL HGx% 1.0 1.8 5.000 2246 1571 B 673 VAL HGy% A 48 LEU HDy% 1.0 1.8 5.000 2247 1571 A 48 LEU HDx% B 673 VAL HGy% 1.0 1.8 5.000 2248 1572 A 47 LYS HA B 675 THR HG2% 1.0 1.8 6.000 2249 1573 B 669 LEU H B 670 PHE HD% 1.0 1.8 3.800 2250 1574 B 671 GLU H B 670 PHE HD% 1.0 1.8 5.600 2251 1575 B 671 GLU H B 670 PHE HBx 1.0 1.8 5.600 2252 1575 B 671 GLU H B 670 PHE HBy 1.0 1.8 5.600 2253 1576 B 675 THR H B 674 PRO HA 1.0 1.8 5.000 2254 1577 B 675 THR H B 674 PRO HBx 1.0 1.8 3.800 2255 1577 B 675 THR H B 674 PRO HBy 1.0 1.8 3.800 2256 1578 B 675 THR H B 674 PRO HDy 1.0 1.8 5.600 2257 1578 B 675 THR H B 674 PRO HDx 1.0 1.8 5.600 2258 1579 B 673 VAL H B 674 PRO HDy 1.0 1.8 5.600 2259 1579 B 673 VAL H B 674 PRO HDx 1.0 1.8 5.600 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 hbond _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 8 ILE H A 90 SER O 1.0 1.3 2.5 2 2 A 90 SER O A 8 ILE N 1.0 2.3 3.5 3 3 A 15 ILE H A 30 ARG O 1.0 1.3 2.5 4 4 A 30 ARG O A 15 ILE N 1.0 2.3 3.5 5 5 A 16 ILE H A 5 GLY O 1.0 1.3 2.5 6 6 A 5 GLY O A 16 ILE N 1.0 2.3 3.5 7 7 A 17 ALA H A 28 THR O 1.0 1.3 2.5 8 8 A 28 THR O A 17 ALA N 1.0 2.3 3.5 9 9 A 26 GLU H A 19 ASN O 1.0 1.3 2.5 10 10 A 19 ASN O A 26 GLU N 1.0 2.3 3.5 11 11 A 27 LEU H A 40 VAL O 1.0 1.3 2.5 12 12 A 40 VAL O A 27 LEU N 1.0 2.3 3.5 13 13 A 28 THR H A 17 ALA O 1.0 1.3 2.5 14 14 A 17 ALA O A 28 THR N 1.0 2.3 3.5 15 15 A 29 TRP H A 38 HIS O 1.0 1.3 2.5 16 16 A 38 HIS O A 29 TRP N 1.0 2.3 3.5 17 17 A 30 ARG H A 15 ILE O 1.0 1.3 2.5 18 18 A 15 ILE O A 30 ARG N 1.0 2.3 3.5 19 19 A 38 HIS H A 29 TRP O 1.0 1.3 2.5 20 20 A 29 TRP O A 38 HIS N 1.0 2.3 3.5 21 21 A 40 VAL H A 27 LEU O 1.0 1.3 2.5 22 22 A 27 LEU O A 40 VAL N 1.0 2.3 3.5 23 23 A 49 GLN H A 61 ARG O 1.0 1.3 2.5 24 24 A 61 ARG O A 49 GLN N 1.0 2.3 3.5 25 25 A 60 LEU H A 89 PHE O 1.0 1.3 2.5 26 26 A 89 PHE O A 60 LEU N 1.0 2.3 3.5 27 27 A 61 ARG H A 49 GLN O 1.0 1.3 2.5 28 28 A 49 GLN O A 61 ARG N 1.0 2.3 3.5 29 29 A 62 LEU H A 87 HIS O 1.0 1.3 2.5 30 30 A 87 HIS O A 62 LEU N 1.0 2.3 3.5 31 31 A 63 ILE H A 47 LYS O 1.0 1.3 2.5 32 32 A 47 LYS O A 63 ILE N 1.0 2.3 3.5 33 33 A 89 PHE H A 60 LEU O 1.0 1.3 2.5 34 34 A 60 LEU O A 89 PHE N 1.0 2.3 3.5 35 35 A 90 SER H A 8 ILE O 1.0 1.3 2.5 36 36 A 8 ILE O A 90 SER N 1.0 2.3 3.5 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 1 PRO C A 2 SER N A 2 SER CA A 2 SER C 1.0 -106.9 -52.9 PHI 2 2 A 2 SER N A 2 SER CA A 2 SER C A 3 HIS N 1.0 -37.5 22.7 PSI 3 3 A 5 GLY C A 6 ALA N A 6 ALA CA A 6 ALA C 1.0 -120.0 -71.4 PHI 4 4 A 6 ALA N A 6 ALA CA A 6 ALA C A 7 ALA N 1.0 100.7 175.7 PSI 5 5 A 6 ALA C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -162.7 -102.7 PHI 6 6 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 ILE N 1.0 111.0 170.6 PSI 7 7 A 7 ALA C A 8 ILE N A 8 ILE CA A 8 ILE C 1.0 -145.3 -77.1 PHI 8 8 A 8 ILE N A 8 ILE CA A 8 ILE C A 9 PHE N 1.0 99.7 145.1 PSI 9 9 A 8 ILE C A 9 PHE N A 9 PHE CA A 9 PHE C 1.0 -181.3 -86.9 PHI 10 10 A 9 PHE N A 9 PHE CA A 9 PHE C A 10 GLU N 1.0 105.6 145.6 PSI 11 11 A 9 PHE C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 32.9 72.9 PHI 12 12 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 LYS N 1.0 25.5 65.5 PSI 13 13 A 10 GLU C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 44.1 88.3 PHI 14 14 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 VAL N 1.0 -16.3 45.3 PSI 15 15 A 11 LYS C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -148.3 -61.9 PHI 16 16 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 SER N 1.0 117.9 157.9 PSI 17 17 A 14 GLY C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -141.7 -101.7 PHI 18 18 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 ILE N 1.0 120.1 160.1 PSI 19 19 A 15 ILE C A 16 ILE N A 16 ILE CA A 16 ILE C 1.0 -142.1 -102.1 PHI 20 20 A 16 ILE N A 16 ILE CA A 16 ILE C A 17 ALA N 1.0 105.7 165.3 PSI 21 21 A 16 ILE C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -151.3 -100.9 PHI 22 22 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 ILE N 1.0 99.4 157.0 PSI 23 23 A 17 ALA C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -133.2 -75.2 PHI 24 24 A 18 ILE N A 18 ILE CA A 18 ILE C A 19 ASN N 1.0 93.7 142.7 PSI 25 25 A 18 ILE C A 19 ASN N A 19 ASN CA A 19 ASN C 1.0 -142.1 -64.1 PHI 26 26 A 19 ASN N A 19 ASN CA A 19 ASN C A 20 GLU N 1.0 92.9 166.7 PSI 27 27 A 25 ALA C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -163.2 -104.6 PHI 28 28 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 LEU N 1.0 130.0 171.0 PSI 29 29 A 26 GLU C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -160.7 -108.5 PHI 30 30 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 THR N 1.0 109.0 149.0 PSI 31 31 A 27 LEU C A 28 THR N A 28 THR CA A 28 THR C 1.0 -149.4 -68.8 PHI 32 32 A 28 THR N A 28 THR CA A 28 THR C A 29 TRP N 1.0 102.6 147.0 PSI 33 33 A 28 THR C A 29 TRP N A 29 TRP CA A 29 TRP C 1.0 -136.8 -92.8 PHI 34 34 A 29 TRP N A 29 TRP CA A 29 TRP C A 30 ARG N 1.0 110.9 150.9 PSI 35 35 A 29 TRP C A 30 ARG N A 30 ARG CA A 30 ARG C 1.0 -162.3 -82.7 PHI 36 36 A 30 ARG N A 30 ARG CA A 30 ARG C A 31 SER N 1.0 112.9 157.5 PSI 37 37 A 30 ARG C A 31 SER N A 31 SER CA A 31 SER C 1.0 -90.6 -50.6 PHI 38 38 A 31 SER N A 31 SER CA A 31 SER C A 32 THR N 1.0 126.3 175.7 PSI 39 39 A 33 ASP N A 33 ASP CA A 33 ASP C A 34 GLY N 1.0 -80.0 -10.0 PSI 40 40 A 34 GLY C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -142.0 -42.0 PHI 41 41 A 35 ASP C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -182.3 -84.3 PHI 42 42 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 VAL N 1.0 128.0 173.0 PSI 43 43 A 36 LYS C A 37 VAL N A 37 VAL CA A 37 VAL C 1.0 -145.6 -105.6 PHI 44 44 A 37 VAL N A 37 VAL CA A 37 VAL C A 38 HIS N 1.0 115.4 155.4 PSI 45 45 A 37 VAL C A 38 HIS N A 38 HIS CA A 38 HIS C 1.0 -165.3 -80.3 PHI 46 46 A 38 HIS N A 38 HIS CA A 38 HIS C A 39 THR N 1.0 102.1 142.1 PSI 47 47 A 38 HIS C A 39 THR N A 39 THR CA A 39 THR C 1.0 -136.6 -96.6 PHI 48 48 A 39 THR N A 39 THR CA A 39 THR C A 40 VAL N 1.0 106.3 149.7 PSI 49 49 A 39 THR C A 40 VAL N A 40 VAL CA A 40 VAL C 1.0 -149.9 -90.5 PHI 50 50 A 40 VAL N A 40 VAL CA A 40 VAL C A 41 VAL N 1.0 96.3 161.7 PSI 51 51 A 40 VAL C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -103.7 -43.3 PHI 52 52 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 LEU N 1.0 83.8 172.8 PSI 53 53 A 41 VAL C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -76.3 -36.3 PHI 54 54 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 SER N 1.0 -58.1 -15.9 PSI 55 55 A 42 LEU C A 43 SER N A 43 SER CA A 43 SER C 1.0 -86.1 -46.1 PHI 56 56 A 43 SER N A 43 SER CA A 43 SER C A 44 THR N 1.0 -59.1 15.3 PSI 57 57 A 43 SER C A 44 THR N A 44 THR CA A 44 THR C 1.0 -128.6 -65.2 PHI 58 58 A 44 THR N A 44 THR CA A 44 THR C A 45 ILE N 1.0 -27.7 17.5 PSI 59 59 A 44 THR C A 45 ILE N A 45 ILE CA A 45 ILE C 1.0 -128.5 -56.7 PHI 60 60 A 45 ILE N A 45 ILE CA A 45 ILE C A 46 ASP N 1.0 97.6 172.4 PSI 61 61 A 46 ASP C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -172.4 -120.6 PHI 62 62 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 LEU N 1.0 135.0 176.0 PSI 63 63 A 47 LYS C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -149.3 -109.3 PHI 64 64 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 GLN N 1.0 114.3 155.5 PSI 65 65 A 48 LEU C A 49 GLN N A 49 GLN CA A 49 GLN C 1.0 -152.2 -106.8 PHI 66 66 A 49 GLN N A 49 GLN CA A 49 GLN C A 50 ALA N 1.0 136.0 176.0 PSI 67 67 A 49 GLN C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -156.6 -106.2 PHI 68 68 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 THR N 1.0 118.0 159.2 PSI 69 69 A 50 ALA C A 51 THR N A 51 THR CA A 51 THR C 1.0 -155.6 -40.8 PHI 70 70 A 51 THR N A 51 THR CA A 51 THR C A 52 PRO N 1.0 99.7 188.9 PSI 71 71 A 51 THR C A 52 PRO N A 52 PRO CA A 52 PRO C 1.0 -82.7 -42.7 PHI 72 72 A 52 PRO N A 52 PRO CA A 52 PRO C A 53 ALA N 1.0 123.2 163.2 PSI 73 73 A 52 PRO C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -81.2 -41.2 PHI 74 74 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 SER N 1.0 -46.9 -6.3 PSI 75 75 A 53 ALA C A 54 SER N A 54 SER CA A 54 SER C 1.0 -110.8 -70.8 PHI 76 76 A 54 SER N A 54 SER CA A 54 SER C A 55 SER N 1.0 -21.9 18.1 PSI 77 77 A 58 MET C A 59 MET N A 59 MET CA A 59 MET C 1.0 -149.5 -109.5 PHI 78 78 A 59 MET N A 59 MET CA A 59 MET C A 60 LEU N 1.0 138.6 178.6 PSI 79 79 A 59 MET C A 60 LEU N A 60 LEU CA A 60 LEU C 1.0 -170.2 -102.2 PHI 80 80 A 60 LEU N A 60 LEU CA A 60 LEU C A 61 ARG N 1.0 120.7 169.5 PSI 81 81 A 60 LEU C A 61 ARG N A 61 ARG CA A 61 ARG C 1.0 -169.7 -117.9 PHI 82 82 A 61 ARG N A 61 ARG CA A 61 ARG C A 62 LEU N 1.0 115.7 155.7 PSI 83 83 A 61 ARG C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -127.9 -87.9 PHI 84 84 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 ILE N 1.0 101.1 141.1 PSI 85 85 A 62 LEU C A 63 ILE N A 63 ILE CA A 63 ILE C 1.0 -156.6 -76.8 PHI 86 86 A 63 ILE N A 63 ILE CA A 63 ILE C A 64 GLY N 1.0 87.6 156.4 PSI 87 87 A 85 GLN C A 86 ARG N A 86 ARG CA A 86 ARG C 1.0 -166.6 -83.2 PHI 88 88 A 86 ARG N A 86 ARG CA A 86 ARG C A 87 HIS N 1.0 113.2 185.4 PSI 89 89 A 86 ARG C A 87 HIS N A 87 HIS CA A 87 HIS C 1.0 -155.3 -80.9 PHI 90 90 A 87 HIS N A 87 HIS CA A 87 HIS C A 88 MET N 1.0 111.7 151.7 PSI 91 91 A 87 HIS C A 88 MET N A 88 MET CA A 88 MET C 1.0 -150.2 -94.4 PHI 92 92 A 88 MET N A 88 MET CA A 88 MET C A 89 PHE N 1.0 111.0 151.0 PSI 93 93 A 88 MET C A 89 PHE N A 89 PHE CA A 89 PHE C 1.0 -162.2 -102.2 PHI 94 94 A 89 PHE N A 89 PHE CA A 89 PHE C A 90 SER N 1.0 116.9 182.9 PSI 95 95 A 89 PHE C A 90 SER N A 90 SER CA A 90 SER C 1.0 -151.6 -77.2 PHI 96 96 A 90 SER N A 90 SER CA A 90 SER C A 91 PHE N 1.0 114.8 176.0 PSI 97 97 A 90 SER C A 91 PHE N A 91 PHE CA A 91 PHE C 1.0 -169.8 -83.2 PHI 98 98 A 91 PHE N A 91 PHE CA A 91 PHE C A 92 ASN N 1.0 132.5 177.9 PSI 99 99 A 94 ARG C A 95 THR N A 95 THR CA A 95 THR C 1.0 -81.0 -41.0 PHI 100 100 A 95 THR N A 95 THR CA A 95 THR C A 96 VAL N 1.0 -61.6 -21.6 PSI 101 101 A 95 THR C A 96 VAL N A 96 VAL CA A 96 VAL C 1.0 -82.8 -42.8 PHI 102 102 A 96 VAL N A 96 VAL CA A 96 VAL C A 97 MET N 1.0 -65.1 -25.1 PSI 103 103 A 96 VAL C A 97 MET N A 97 MET CA A 97 MET C 1.0 -82.3 -42.3 PHI 104 104 A 97 MET N A 97 MET CA A 97 MET C A 98 ASP N 1.0 -60.4 -20.4 PSI 105 105 A 97 MET C A 98 ASP N A 98 ASP CA A 98 ASP C 1.0 -83.7 -43.7 PHI 106 106 A 98 ASP N A 98 ASP CA A 98 ASP C A 99 ASN N 1.0 -61.8 -21.8 PSI 107 107 A 98 ASP C A 99 ASN N A 99 ASN CA A 99 ASN C 1.0 -81.6 -41.6 PHI 108 108 A 99 ASN N A 99 ASN CA A 99 ASN C A 100 ILE N 1.0 -65.3 -25.3 PSI 109 109 A 99 ASN C A 100 ILE N A 100 ILE CA A 100 ILE C 1.0 -86.2 -46.2 PHI 110 110 A 100 ILE N A 100 ILE CA A 100 ILE C A 101 LYS N 1.0 -59.7 -19.7 PSI 111 111 A 100 ILE C A 101 LYS N A 101 LYS CA A 101 LYS C 1.0 -81.6 -41.6 PHI 112 112 A 101 LYS N A 101 LYS CA A 101 LYS C A 102 MET N 1.0 -64.0 -24.0 PSI 113 113 A 101 LYS C A 102 MET N A 102 MET CA A 102 MET C 1.0 -83.1 -43.1 PHI 114 114 A 102 MET N A 102 MET CA A 102 MET C A 103 THR N 1.0 -59.4 -19.4 PSI 115 115 A 102 MET C A 103 THR N A 103 THR CA A 103 THR C 1.0 -87.1 -47.1 PHI 116 116 A 103 THR N A 103 THR CA A 103 THR C A 104 LEU N 1.0 -63.3 -23.3 PSI 117 117 A 103 THR C A 104 LEU N A 104 LEU CA A 104 LEU C 1.0 -82.3 -42.3 PHI 118 118 A 104 LEU N A 104 LEU CA A 104 LEU C A 105 GLN N 1.0 -62.6 -22.6 PSI 119 119 A 104 LEU C A 105 GLN N A 105 GLN CA A 105 GLN C 1.0 -83.4 -43.4 PHI 120 120 A 105 GLN N A 105 GLN CA A 105 GLN C A 106 GLN N 1.0 -62.4 -22.4 PSI 121 121 A 105 GLN C A 106 GLN N A 106 GLN CA A 106 GLN C 1.0 -87.3 -47.3 PHI 122 122 A 106 GLN N A 106 GLN CA A 106 GLN C A 107 ILE N 1.0 -59.8 -19.8 PSI 123 123 A 106 GLN C A 107 ILE N A 107 ILE CA A 107 ILE C 1.0 -85.6 -45.6 PHI 124 124 A 107 ILE N A 107 ILE CA A 107 ILE C A 108 ILE N 1.0 -66.0 -26.0 PSI 125 125 A 107 ILE C A 108 ILE N A 108 ILE CA A 108 ILE C 1.0 -82.8 -42.8 PHI 126 126 A 108 ILE N A 108 ILE CA A 108 ILE C A 109 SER N 1.0 -60.4 -20.4 PSI 127 127 A 108 ILE C A 109 SER N A 109 SER CA A 109 SER C 1.0 -81.1 -41.1 PHI 128 128 A 109 SER N A 109 SER CA A 109 SER C A 110 ARG N 1.0 -60.3 -20.3 PSI 129 129 A 109 SER C A 110 ARG N A 110 ARG CA A 110 ARG C 1.0 -81.2 -41.2 PHI 130 130 A 110 ARG N A 110 ARG CA A 110 ARG C A 111 TYR N 1.0 -65.5 -25.5 PSI 131 131 A 110 ARG C A 111 TYR N A 111 TYR CA A 111 TYR C 1.0 -89.8 -49.8 PHI 132 132 A 111 TYR N A 111 TYR CA A 111 TYR C A 112 LYS N 1.0 -74.7 14.5 PSI 133 133 A 111 TYR C A 112 LYS N A 112 LYS CA A 112 LYS C 1.0 -82.5 -42.5 PHI 134 134 A 112 LYS N A 112 LYS CA A 112 LYS C A 113 ASP N 1.0 -65.9 -9.7 PSI 135 135 A 112 LYS C A 113 ASP N A 113 ASP CA A 113 ASP C 1.0 -85.7 -45.7 PHI 136 136 A 113 ASP N A 113 ASP CA A 113 ASP C A 114 ALA N 1.0 -80.8 13.4 PSI 137 137 A 113 ASP C A 114 ALA N A 114 ALA CA A 114 ALA C 1.0 -92.5 -44.5 PHI 138 138 A 114 ALA N A 114 ALA CA A 114 ALA C A 115 ASP N 1.0 -81.1 13.1 PSI 139 139 B 666 SER C B 667 GLU N B 667 GLU CA B 667 GLU C 1.0 -94.0 -41.4 PHI 140 140 B 667 GLU N B 667 GLU CA B 667 GLU C B 668 GLU N 1.0 -76.1 17.7 PSI 141 141 B 667 GLU C B 668 GLU N B 668 GLU CA B 668 GLU C 1.0 -105.7 -47.3 PHI 142 142 B 668 GLU N B 668 GLU CA B 668 GLU C B 669 LEU N 1.0 -55.0 13.4 PSI 143 143 B 668 GLU C B 669 LEU N B 669 LEU CA B 669 LEU C 1.0 -120.2 -70.8 PHI 144 144 B 669 LEU N B 669 LEU CA B 669 LEU C B 670 PHE N 1.0 -46.2 19.8 PSI 145 145 B 669 LEU C B 670 PHE N B 670 PHE CA B 670 PHE C 1.0 -169.2 -57.0 PHI 146 146 B 670 PHE N B 670 PHE CA B 670 PHE C B 671 GLU N 1.0 122.1 174.3 PSI 147 147 B 670 PHE C B 671 GLU N B 671 GLU CA B 671 GLU C 1.0 -151.5 -85.1 PHI 148 148 B 671 GLU N B 671 GLU CA B 671 GLU C B 672 ASP N 1.0 127.0 171.0 PSI 149 149 B 671 GLU C B 672 ASP N B 672 ASP CA B 672 ASP C 1.0 -115.1 -54.9 PHI 150 150 B 672 ASP N B 672 ASP CA B 672 ASP C B 673 VAL N 1.0 98.8 148.6 PSI 151 151 B 672 ASP C B 673 VAL N B 673 VAL CA B 673 VAL C 1.0 -152.1 -39.3 PHI 152 152 B 673 VAL N B 673 VAL CA B 673 VAL C B 674 PRO N 1.0 92.5 158.1 PSI 153 153 B 673 VAL C B 674 PRO N B 674 PRO CA B 674 PRO C 1.0 -86.7 -46.7 PHI 154 154 B 674 PRO N B 674 PRO CA B 674 PRO C B 675 THR N 1.0 128.4 168.4 PSI 155 155 B 674 PRO C B 675 THR N B 675 THR CA B 675 THR C 1.0 -139.0 -47.0 PHI 156 156 B 675 THR N B 675 THR CA B 675 THR C B 676 LYS N 1.0 117.0 201.0 PSI 157 157 B 675 THR C B 676 LYS N B 676 LYS CA B 676 LYS C 1.0 -180.0 -40.0 PHI 158 158 B 676 LYS N B 676 LYS CA B 676 LYS C B 677 SER N 1.0 110.0 166.0 PSI stop_ save_