data_nef_c36027_5h3n 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 BMRB 36026 PDB 5H3N 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 GLU start . . 2 A 2 HIS middle . . 3 A 3 PRO middle . false 4 A 4 GLU middle . . 5 A 5 PHE middle . . 6 A 6 LEU middle . . 7 A 7 LYS middle . . 8 A 8 ALA middle . . 9 A 9 GLY middle . false 10 A 10 LYS middle . . 11 A 11 GLU middle . . 12 A 12 PRO middle . false 13 A 13 GLY middle . false 14 A 14 LEU middle . . 15 A 15 GLN middle . . 16 A 16 ILE middle . . 17 A 17 TRP middle . . 18 A 18 ARG middle . . 19 A 19 VAL middle . . 20 A 20 GLU middle . . 21 A 21 LYS middle . . 22 A 22 PHE middle . . 23 A 23 ASP middle . . 24 A 24 LEU middle . . 25 A 25 VAL middle . . 26 A 26 PRO middle . false 27 A 27 VAL middle . . 28 A 28 PRO middle . false 29 A 29 THR middle . . 30 A 30 ASN middle . . 31 A 31 LEU middle . . 32 A 32 TYR middle . . 33 A 33 GLY middle . false 34 A 34 ASP middle . . 35 A 35 PHE middle . . 36 A 36 PHE middle . . 37 A 37 THR middle . . 38 A 38 GLY middle . false 39 A 39 ASP middle . . 40 A 40 ALA middle . . 41 A 41 TYR middle . . 42 A 42 VAL middle . . 43 A 43 ILE middle . . 44 A 44 LEU middle . . 45 A 45 LYS middle . . 46 A 46 THR middle . . 47 A 47 VAL middle . . 48 A 48 GLN middle . . 49 A 49 LEU middle . . 50 A 50 ARG middle . . 51 A 51 ASN middle . . 52 A 52 GLY middle . false 53 A 53 ASN middle . . 54 A 54 LEU middle . . 55 A 55 GLN middle . . 56 A 56 TYR middle . . 57 A 57 ASP middle . . 58 A 58 LEU middle . . 59 A 59 HIS middle . . 60 A 60 TYR middle . . 61 A 61 TRP middle . . 62 A 62 LEU middle . . 63 A 63 GLY middle . false 64 A 64 ASN middle . . 65 A 65 GLU middle . . 66 A 66 CYS middle . . 67 A 67 SER middle . . 68 A 68 GLN middle . . 69 A 69 ASP middle . . 70 A 70 GLU middle . . 71 A 71 SER middle . . 72 A 72 GLY middle . false 73 A 73 ALA middle . . 74 A 74 ALA middle . . 75 A 75 ALA middle . . 76 A 76 ILE middle . . 77 A 77 PHE middle . . 78 A 78 THR middle . . 79 A 79 VAL middle . . 80 A 80 GLN middle . . 81 A 81 LEU middle . . 82 A 82 ASP middle . . 83 A 83 ASP middle . . 84 A 84 TYR middle . . 85 A 85 LEU middle . . 86 A 86 ASN middle . . 87 A 87 GLY middle . false 88 A 88 ARG middle . . 89 A 89 ALA middle . . 90 A 90 VAL middle . . 91 A 91 GLN middle . . 92 A 92 HIS middle . . 93 A 93 ARG middle . . 94 A 94 GLU middle . . 95 A 95 VAL middle . . 96 A 96 GLN middle . . 97 A 97 GLY middle . false 98 A 98 PHE middle . . 99 A 99 GLU middle . . 100 A 100 SER middle . . 101 A 101 ALA middle . . 102 A 102 THR middle . . 103 A 103 PHE middle . . 104 A 104 LEU middle . . 105 A 105 GLY middle . false 106 A 106 TYR middle . . 107 A 107 PHE middle . . 108 A 108 LYS middle . . 109 A 109 SER middle . . 110 A 110 GLY middle . false 111 A 111 LEU middle . . 112 A 112 LYS middle . . 113 A 113 TYR middle . . 114 A 114 LYS middle . . 115 A 115 LYS middle . . 116 A 116 GLY middle . false 117 A 117 GLY middle . false 118 A 118 VAL middle . . 119 A 119 ALA middle . . 120 A 120 SER middle . . 121 A 121 GLY middle . false 122 A 122 PHE middle . . 123 A 123 LYS middle . . 124 A 124 HIS middle . . 125 A 125 VAL middle . . 126 A 126 VAL middle . . 127 A 127 PRO middle . false 128 A 128 ASN middle . . 129 A 129 GLU middle . . 130 A 130 VAL middle . . 131 A 131 VAL middle . . 132 A 132 VAL middle . . 133 A 133 GLN end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLU HA H 1 4.525 0.000 A 1 GLU CA C 13 56.194 0.000 A 2 HIS H H 1 7.867 0.002 A 2 HIS HA H 1 4.331 0.000 A 2 HIS HBx H 1 2.990 0.000 A 2 HIS HD2 H 1 7.092 0.000 A 2 HIS CA C 13 57.596 0.000 A 2 HIS CB C 13 30.970 0.000 A 2 HIS CD2 C 13 118.400 0.000 A 2 HIS N N 15 125.814 0.126 A 3 PRO HA H 1 4.133 0.015 A 3 PRO HBx H 1 1.883 0.000 A 3 PRO HGy H 1 1.847 0.000 A 3 PRO CA C 13 65.352 0.002 A 3 PRO CB C 13 32.030 0.055 A 3 PRO CG C 13 27.561 0.000 A 4 GLU H H 1 10.510 0.000 A 4 GLU HA H 1 4.072 0.004 A 4 GLU HBx H 1 1.757 0.010 A 4 GLU HGy H 1 2.441 0.002 A 4 GLU CA C 13 58.534 0.008 A 4 GLU CB C 13 29.189 0.008 A 4 GLU CG C 13 37.372 0.020 A 4 GLU N N 15 118.780 0.091 A 5 PHE H H 1 8.040 0.001 A 5 PHE HA H 1 3.922 0.007 A 5 PHE HBy H 1 2.840 0.000 A 5 PHE HBx H 1 1.925 0.001 A 5 PHE HDx H 1 6.564 0.006 A 5 PHE HEx H 1 6.863 0.006 A 5 PHE HZ H 1 7.179 0.000 A 5 PHE CA C 13 57.462 0.055 A 5 PHE CB C 13 34.715 0.039 A 5 PHE CDx C 13 129.630 0.041 A 5 PHE CEx C 13 130.813 0.084 A 5 PHE CZ C 13 128.704 0.000 A 5 PHE N N 15 118.715 0.054 A 6 LEU H H 1 7.038 0.001 A 6 LEU HA H 1 4.178 0.007 A 6 LEU HBx H 1 1.722 0.000 A 6 LEU HBy H 1 1.746 0.000 A 6 LEU HDx% H 1 0.911 0.006 A 6 LEU HDy% H 1 0.915 0.001 A 6 LEU HG H 1 1.704 0.007 A 6 LEU CA C 13 57.208 0.049 A 6 LEU CB C 13 41.673 0.001 A 6 LEU CDx C 13 24.993 0.050 A 6 LEU CDy C 13 27.681 0.009 A 6 LEU CG C 13 23.346 0.023 A 6 LEU N N 15 115.115 0.061 A 7 LYS H H 1 7.170 0.003 A 7 LYS HA H 1 4.342 0.001 A 7 LYS HBx H 1 1.976 0.001 A 7 LYS HDy H 1 1.791 0.000 A 7 LYS HEy H 1 3.012 0.000 A 7 LYS HGx H 1 1.486 0.006 A 7 LYS CA C 13 55.627 0.073 A 7 LYS CB C 13 33.508 0.007 A 7 LYS CD C 13 29.513 0.000 A 7 LYS CE C 13 42.246 0.000 A 7 LYS CG C 13 25.172 0.024 A 7 LYS N N 15 114.879 0.030 A 8 ALA H H 1 7.760 0.001 A 8 ALA HA H 1 4.577 0.003 A 8 ALA HB% H 1 1.418 0.003 A 8 ALA CA C 13 52.605 0.078 A 8 ALA CB C 13 20.042 0.065 A 8 ALA N N 15 124.433 0.094 A 9 GLY H H 1 9.435 0.001 A 9 GLY HAy H 1 4.287 0.003 A 9 GLY HAx H 1 3.722 0.003 A 9 GLY CA C 13 48.407 0.024 A 9 GLY N N 15 110.182 0.056 A 10 LYS H H 1 8.279 0.002 A 10 LYS HA H 1 4.252 0.005 A 10 LYS HBx H 1 1.798 0.013 A 10 LYS HDy H 1 1.675 0.005 A 10 LYS HGy H 1 1.470 0.010 A 10 LYS HGx H 1 1.246 0.003 A 10 LYS CA C 13 56.161 0.004 A 10 LYS CB C 13 33.024 0.019 A 10 LYS CD C 13 27.913 0.015 A 10 LYS CG C 13 24.259 0.027 A 10 LYS N N 15 118.079 0.064 A 11 GLU H H 1 8.199 0.001 A 11 GLU HA H 1 4.763 0.000 A 11 GLU HBx H 1 1.884 0.000 A 11 GLU HBy H 1 1.884 0.000 A 11 GLU HGx H 1 2.133 0.000 A 11 GLU HGy H 1 2.133 0.000 A 11 GLU CA C 13 52.924 0.000 A 11 GLU CB C 13 30.916 0.001 A 11 GLU CG C 13 34.686 0.001 A 11 GLU N N 15 116.302 0.093 A 12 PRO HA H 1 3.958 0.009 A 12 PRO HBx H 1 1.912 0.000 A 12 PRO HDx H 1 3.625 0.009 A 12 PRO HGy H 1 1.614 0.000 A 12 PRO CA C 13 63.095 0.062 A 12 PRO CB C 13 31.939 0.000 A 12 PRO CD C 13 50.445 0.010 A 12 PRO CG C 13 28.734 0.000 A 13 GLY H H 1 8.696 0.001 A 13 GLY HAx H 1 3.718 0.001 A 13 GLY HAy H 1 4.476 0.000 A 13 GLY CA C 13 44.984 0.025 A 13 GLY N N 15 111.008 0.077 A 14 LEU H H 1 8.288 0.001 A 14 LEU HA H 1 4.968 0.010 A 14 LEU HBx H 1 1.017 0.000 A 14 LEU HBy H 1 1.733 0.003 A 14 LEU HDx% H 1 0.170 0.011 A 14 LEU HDy% H 1 0.343 0.004 A 14 LEU HG H 1 0.942 0.000 A 14 LEU CA C 13 53.318 0.018 A 14 LEU CB C 13 45.998 0.000 A 14 LEU CDx C 13 24.473 0.047 A 14 LEU CDy C 13 26.322 0.041 A 14 LEU CG C 13 27.153 0.000 A 14 LEU N N 15 122.411 0.048 A 15 GLN H H 1 8.460 0.002 A 15 GLN HA H 1 4.472 0.005 A 15 GLN HBy H 1 1.615 0.009 A 15 GLN HBx H 1 1.002 0.003 A 15 GLN HE2x H 1 7.484 0.000 A 15 GLN HE2y H 1 8.128 0.000 A 15 GLN HGx H 1 1.968 0.004 A 15 GLN HGy H 1 2.209 0.002 A 15 GLN CA C 13 54.816 0.029 A 15 GLN CB C 13 34.412 0.016 A 15 GLN CG C 13 35.301 0.062 A 15 GLN N N 15 124.705 0.061 A 15 GLN NE2 N 15 115.745 0.055 A 16 ILE H H 1 6.771 0.003 A 16 ILE HA H 1 4.888 0.003 A 16 ILE HB H 1 1.078 0.000 A 16 ILE HD1% H 1 0.136 0.003 A 16 ILE HG1y H 1 0.562 0.000 A 16 ILE HG2% H 1 0.819 0.004 A 16 ILE CA C 13 60.681 0.015 A 16 ILE CB C 13 40.490 0.000 A 16 ILE CD1 C 13 13.038 0.187 A 16 ILE CG1 C 13 26.992 0.000 A 16 ILE CG2 C 13 16.831 0.302 A 16 ILE N N 15 119.097 0.070 A 17 TRP H H 1 9.882 0.003 A 17 TRP HA H 1 5.242 0.003 A 17 TRP HBx H 1 2.738 0.003 A 17 TRP HBy H 1 2.933 0.000 A 17 TRP HD1 H 1 6.379 0.005 A 17 TRP HE1 H 1 11.852 0.000 A 17 TRP HH2 H 1 6.718 0.005 A 17 TRP HZ2 H 1 7.184 0.006 A 17 TRP CA C 13 57.551 0.011 A 17 TRP CB C 13 34.358 0.018 A 17 TRP CD1 C 13 124.592 0.033 A 17 TRP CH2 C 13 123.825 0.024 A 17 TRP CZ2 C 13 113.320 0.059 A 17 TRP N N 15 127.456 0.036 A 17 TRP NE1 N 15 132.955 0.000 A 18 ARG H H 1 9.708 0.002 A 18 ARG HA H 1 4.575 0.002 A 18 ARG HBx H 1 1.443 0.000 A 18 ARG HBy H 1 2.030 0.000 A 18 ARG HGy H 1 1.453 0.008 A 18 ARG CA C 13 55.207 0.012 A 18 ARG CB C 13 33.910 0.099 A 18 ARG CG C 13 27.340 0.023 A 18 ARG N N 15 124.842 0.036 A 19 VAL H H 1 8.460 0.001 A 19 VAL HA H 1 4.385 0.007 A 19 VAL HB H 1 2.074 0.000 A 19 VAL HGx% H 1 0.816 0.005 A 19 VAL HGy% H 1 0.944 0.010 A 19 VAL CA C 13 62.652 0.043 A 19 VAL CB C 13 31.016 0.000 A 19 VAL CGx C 13 21.272 0.386 A 19 VAL CGy C 13 21.874 0.308 A 19 VAL N N 15 126.589 0.103 A 20 GLU H H 1 8.574 0.002 A 20 GLU HA H 1 4.585 0.000 A 20 GLU HBx H 1 1.820 0.015 A 20 GLU HGy H 1 2.198 0.000 A 20 GLU CA C 13 54.844 0.009 A 20 GLU CB C 13 31.086 0.025 A 20 GLU CG C 13 36.258 0.000 A 20 GLU N N 15 128.158 0.207 A 21 LYS H H 1 9.361 0.003 A 21 LYS HA H 1 3.529 0.001 A 21 LYS HBx H 1 1.813 0.007 A 21 LYS HGx H 1 1.258 0.006 A 21 LYS CA C 13 58.201 0.020 A 21 LYS CB C 13 30.101 0.018 A 21 LYS CG C 13 25.105 0.102 A 21 LYS N N 15 125.612 0.042 A 22 PHE H H 1 8.344 0.004 A 22 PHE HBy H 1 3.438 0.001 A 22 PHE HBx H 1 3.058 0.026 A 22 PHE HDx H 1 7.142 0.000 A 22 PHE HEx H 1 7.281 0.000 A 22 PHE CB C 13 37.576 0.103 A 22 PHE CDx C 13 131.868 0.000 A 22 PHE CEx C 13 131.027 0.000 A 22 PHE N N 15 114.457 0.105 A 23 ASP H H 1 7.910 0.003 A 23 ASP HA H 1 5.109 0.006 A 23 ASP HBy H 1 2.623 0.005 A 23 ASP CA C 13 52.697 0.007 A 23 ASP CB C 13 44.499 0.025 A 23 ASP N N 15 119.446 0.038 A 24 LEU H H 1 7.403 0.008 A 24 LEU HA H 1 4.388 0.006 A 24 LEU HBy H 1 0.284 0.000 A 24 LEU HDx% H 1 -0.151 0.000 A 24 LEU HDy% H 1 -0.363 0.005 A 24 LEU CA C 13 53.296 0.044 A 24 LEU CB C 13 43.171 0.000 A 24 LEU CDx C 13 23.459 0.173 A 24 LEU CDy C 13 24.602 0.037 A 24 LEU N N 15 120.886 0.031 A 25 VAL H H 1 9.007 0.002 A 25 VAL HA H 1 4.747 0.000 A 25 VAL HB H 1 2.064 0.011 A 25 VAL HGx% H 1 0.900 0.010 A 25 VAL HGy% H 1 1.054 0.000 A 25 VAL CA C 13 59.298 0.000 A 25 VAL CB C 13 34.772 0.078 A 25 VAL CGy C 13 21.177 0.092 A 25 VAL CGx C 13 20.661 0.010 A 25 VAL N N 15 124.827 0.030 A 26 PRO HA H 1 4.492 0.004 A 26 PRO HBx H 1 1.848 0.000 A 26 PRO HBy H 1 2.243 0.000 A 26 PRO CA C 13 63.942 0.002 A 26 PRO CB C 13 32.219 0.005 A 27 VAL H H 1 8.165 0.001 A 27 VAL HA H 1 4.336 0.004 A 27 VAL HB H 1 1.780 0.002 A 27 VAL HGx% H 1 1.100 0.004 A 27 VAL HGy% H 1 0.905 0.004 A 27 VAL CA C 13 60.022 0.003 A 27 VAL CB C 13 34.133 0.003 A 27 VAL CGy C 13 23.896 0.137 A 27 VAL CGx C 13 19.661 0.018 A 27 VAL N N 15 127.172 0.059 A 28 PRO HA H 1 4.440 0.000 A 28 PRO HBy H 1 2.325 0.006 A 28 PRO HBx H 1 1.787 0.000 A 28 PRO HGx H 1 2.055 0.001 A 28 PRO CA C 13 63.276 0.000 A 28 PRO CB C 13 32.263 0.028 A 28 PRO CG C 13 28.175 0.027 A 29 THR H H 1 8.220 0.003 A 29 THR HA H 1 2.646 0.002 A 29 THR HB H 1 3.655 0.000 A 29 THR HG2% H 1 0.985 0.002 A 29 THR CA C 13 64.884 0.019 A 29 THR CB C 13 68.217 0.000 A 29 THR CG2 C 13 22.035 0.072 A 29 THR N N 15 115.460 0.046 A 30 ASN H H 1 8.333 0.003 A 30 ASN HA H 1 4.362 0.013 A 30 ASN HBx H 1 2.671 0.016 A 30 ASN HD2x H 1 6.639 0.000 A 30 ASN HD2y H 1 7.569 0.000 A 30 ASN CA C 13 54.574 0.045 A 30 ASN CB C 13 36.781 0.010 A 30 ASN N N 15 116.531 0.070 A 30 ASN ND2 N 15 112.530 0.038 A 31 LEU H H 1 7.866 0.001 A 31 LEU HA H 1 4.383 0.001 A 31 LEU HBy H 1 1.730 0.000 A 31 LEU HBx H 1 1.507 0.000 A 31 LEU HDx% H 1 0.748 0.004 A 31 LEU HDy% H 1 0.855 0.001 A 31 LEU HG H 1 1.393 0.000 A 31 LEU CA C 13 53.551 0.004 A 31 LEU CB C 13 41.716 0.016 A 31 LEU CDx C 13 22.533 0.017 A 31 LEU CDy C 13 25.806 0.025 A 31 LEU CG C 13 26.777 0.000 A 31 LEU N N 15 118.837 0.052 A 32 TYR H H 1 7.156 0.003 A 32 TYR HA H 1 4.125 0.006 A 32 TYR HBx H 1 2.759 0.011 A 32 TYR HBy H 1 3.201 0.000 A 32 TYR HDx H 1 6.839 0.003 A 32 TYR HEx H 1 6.846 0.010 A 32 TYR CA C 13 57.264 0.007 A 32 TYR CB C 13 36.291 0.104 A 32 TYR CDx C 13 131.275 0.061 A 32 TYR CEx C 13 118.832 0.076 A 32 TYR N N 15 120.198 0.047 A 33 GLY H H 1 8.237 0.003 A 33 GLY HAx H 1 2.396 0.001 A 33 GLY HAy H 1 4.196 0.006 A 33 GLY CA C 13 45.091 0.030 A 33 GLY N N 15 114.109 0.069 A 34 ASP H H 1 7.381 0.001 A 34 ASP HA H 1 4.821 0.007 A 34 ASP HBy H 1 2.692 0.008 A 34 ASP HBx H 1 1.861 0.003 A 34 ASP CA C 13 52.764 0.023 A 34 ASP CB C 13 40.004 0.041 A 34 ASP N N 15 121.832 0.045 A 35 PHE H H 1 8.331 0.005 A 35 PHE HA H 1 4.130 0.004 A 35 PHE HBy H 1 1.790 0.000 A 35 PHE HDx H 1 5.480 0.004 A 35 PHE HEx H 1 5.862 0.007 A 35 PHE HZ H 1 6.381 0.015 A 35 PHE CA C 13 56.441 0.001 A 35 PHE CB C 13 42.021 0.000 A 35 PHE CDx C 13 131.769 0.045 A 35 PHE CEx C 13 128.660 0.042 A 35 PHE CZ C 13 126.513 0.043 A 35 PHE N N 15 122.743 0.084 A 36 PHE H H 1 8.919 0.004 A 36 PHE HA H 1 5.266 0.012 A 36 PHE HBx H 1 3.522 0.000 A 36 PHE HDx H 1 7.133 0.011 A 36 PHE CA C 13 58.193 0.006 A 36 PHE CB C 13 38.542 0.000 A 36 PHE CDx C 13 132.627 0.042 A 36 PHE N N 15 123.460 0.072 A 37 THR H H 1 9.155 0.003 A 37 THR HA H 1 4.426 0.004 A 37 THR HB H 1 4.670 0.003 A 37 THR HG2% H 1 1.390 0.004 A 37 THR CA C 13 64.691 0.069 A 37 THR CB C 13 69.189 0.016 A 37 THR CG2 C 13 22.796 0.150 A 37 THR N N 15 113.705 0.076 A 38 GLY H H 1 8.515 0.003 A 38 GLY HAy H 1 3.982 0.018 A 38 GLY HAx H 1 3.520 0.012 A 38 GLY CA C 13 44.902 0.053 A 38 GLY N N 15 108.450 0.098 A 39 ASP H H 1 7.807 0.001 A 39 ASP HA H 1 5.428 0.001 A 39 ASP HBy H 1 3.121 0.001 A 39 ASP HBx H 1 2.639 0.003 A 39 ASP CA C 13 53.653 0.002 A 39 ASP CB C 13 47.202 0.015 A 39 ASP N N 15 119.970 0.065 A 40 ALA H H 1 8.940 0.003 A 40 ALA HA H 1 5.953 0.009 A 40 ALA HB% H 1 1.452 0.006 A 40 ALA CA C 13 50.404 0.064 A 40 ALA CB C 13 23.795 0.130 A 40 ALA N N 15 118.468 0.047 A 41 TYR H H 1 9.451 0.002 A 41 TYR HA H 1 5.748 0.005 A 41 TYR HBx H 1 3.032 0.017 A 41 TYR HBy H 1 3.248 0.008 A 41 TYR HDx H 1 7.325 0.005 A 41 TYR HEx H 1 7.242 0.005 A 41 TYR CA C 13 56.543 0.038 A 41 TYR CB C 13 44.563 0.082 A 41 TYR CDx C 13 133.754 0.083 A 41 TYR CEx C 13 119.466 0.044 A 41 TYR N N 15 116.340 0.088 A 42 VAL H H 1 9.654 0.000 A 42 VAL HA H 1 4.934 0.006 A 42 VAL HB H 1 1.974 0.003 A 42 VAL HGx% H 1 0.956 0.016 A 42 VAL CA C 13 62.755 0.064 A 42 VAL CB C 13 35.334 0.002 A 42 VAL CGx C 13 21.594 0.111 A 42 VAL N N 15 120.829 0.055 A 43 ILE H H 1 10.010 0.002 A 43 ILE HA H 1 5.408 0.008 A 43 ILE HB H 1 2.232 0.003 A 43 ILE HD1% H 1 1.305 0.003 A 43 ILE HG1x H 1 1.617 0.007 A 43 ILE HG1y H 1 2.048 0.000 A 43 ILE HG2% H 1 0.955 0.005 A 43 ILE CA C 13 61.583 0.024 A 43 ILE CB C 13 42.936 0.005 A 43 ILE CD1 C 13 18.733 0.274 A 43 ILE CG1 C 13 32.415 0.072 A 43 ILE CG2 C 13 22.864 0.157 A 43 ILE N N 15 128.085 0.057 A 44 LEU H H 1 9.585 0.003 A 44 LEU HA H 1 5.670 0.002 A 44 LEU HBx H 1 1.444 0.000 A 44 LEU HBy H 1 2.233 0.000 A 44 LEU HDx% H 1 0.963 0.010 A 44 LEU HDy% H 1 0.973 0.005 A 44 LEU HG H 1 1.699 0.029 A 44 LEU CA C 13 53.341 0.012 A 44 LEU CB C 13 46.618 0.019 A 44 LEU CDx C 13 23.315 0.037 A 44 LEU CDy C 13 27.277 0.113 A 44 LEU CG C 13 27.645 0.008 A 44 LEU N N 15 127.472 0.045 A 45 LYS H H 1 9.877 0.002 A 45 LYS HA H 1 5.049 0.010 A 45 LYS HBy H 1 2.301 0.011 A 45 LYS HBx H 1 0.917 0.005 A 45 LYS HDy H 1 0.718 0.000 A 45 LYS HGx H 1 0.942 0.001 A 45 LYS CA C 13 54.233 0.016 A 45 LYS CB C 13 33.751 0.047 A 45 LYS CD C 13 28.008 0.000 A 45 LYS CG C 13 24.918 0.010 A 45 LYS N N 15 134.940 0.049 A 46 THR H H 1 9.252 0.004 A 46 THR HA H 1 5.116 0.007 A 46 THR HB H 1 4.138 0.013 A 46 THR HG2% H 1 0.834 0.002 A 46 THR CA C 13 62.549 0.023 A 46 THR CB C 13 69.846 0.041 A 46 THR CG2 C 13 23.866 0.140 A 46 THR N N 15 126.291 0.029 A 47 VAL H H 1 9.077 0.002 A 47 VAL HA H 1 4.290 0.001 A 47 VAL HB H 1 1.862 0.009 A 47 VAL HGx% H 1 0.833 0.005 A 47 VAL CA C 13 60.370 0.002 A 47 VAL CB C 13 35.892 0.022 A 47 VAL CGx C 13 21.396 0.091 A 47 VAL N N 15 127.288 0.051 A 48 GLN H H 1 8.778 0.001 A 48 GLN HA H 1 4.722 0.003 A 48 GLN HBy H 1 2.021 0.000 A 48 GLN HBx H 1 1.539 0.005 A 48 GLN HE2y H 1 6.706 0.002 A 48 GLN HGx H 1 1.938 0.004 A 48 GLN HGy H 1 2.399 0.000 A 48 GLN CA C 13 54.830 0.011 A 48 GLN CB C 13 30.998 0.014 A 48 GLN CG C 13 33.791 0.009 A 48 GLN N N 15 125.038 0.037 A 48 GLN NE2 N 15 112.145 0.071 A 49 LEU H H 1 8.839 0.001 A 49 LEU HA H 1 4.440 0.000 A 49 LEU HBx H 1 1.564 0.010 A 49 LEU HBy H 1 1.901 0.000 A 49 LEU HDx% H 1 0.742 0.001 A 49 LEU HDy% H 1 0.805 0.008 A 49 LEU HG H 1 1.457 0.001 A 49 LEU CA C 13 54.202 0.000 A 49 LEU CB C 13 42.307 0.008 A 49 LEU CDx C 13 21.890 0.065 A 49 LEU CDy C 13 25.318 0.057 A 49 LEU CG C 13 27.093 0.007 A 49 LEU N N 15 128.202 0.051 A 50 ARG HA H 1 4.021 0.000 A 50 ARG CA C 13 58.779 0.000 A 51 ASN HA H 1 4.481 0.000 A 51 ASN CA C 13 52.768 0.000 A 52 GLY H H 1 8.040 0.001 A 52 GLY HAy H 1 4.326 0.011 A 52 GLY HAx H 1 3.507 0.000 A 52 GLY CA C 13 45.005 0.028 A 52 GLY N N 15 107.808 0.372 A 53 ASN H H 1 7.992 0.000 A 53 ASN HA H 1 4.612 0.004 A 53 ASN HBy H 1 2.811 0.014 A 53 ASN HBx H 1 2.732 0.000 A 53 ASN HD2x H 1 6.940 0.000 A 53 ASN CA C 13 52.960 0.000 A 53 ASN CB C 13 38.961 0.018 A 53 ASN N N 15 119.979 0.044 A 53 ASN ND2 N 15 111.273 0.000 A 54 LEU H H 1 8.245 0.001 A 54 LEU HA H 1 4.984 0.002 A 54 LEU HBy H 1 1.461 0.002 A 54 LEU HBx H 1 0.685 0.001 A 54 LEU HDx% H 1 0.803 0.020 A 54 LEU HDy% H 1 0.536 0.004 A 54 LEU HG H 1 1.631 0.000 A 54 LEU CA C 13 53.683 0.028 A 54 LEU CB C 13 42.674 0.024 A 54 LEU CDy C 13 25.341 0.024 A 54 LEU CDx C 13 22.687 0.189 A 54 LEU CG C 13 26.792 0.000 A 54 LEU N N 15 119.385 0.047 A 55 GLN H H 1 8.809 0.001 A 55 GLN HA H 1 4.348 0.003 A 55 GLN HBy H 1 1.785 0.001 A 55 GLN HGy H 1 2.238 0.001 A 55 GLN CA C 13 54.229 0.005 A 55 GLN CB C 13 32.173 0.016 A 55 GLN CG C 13 34.278 0.016 A 55 GLN N N 15 122.294 0.045 A 56 TYR H H 1 8.516 0.005 A 56 TYR HA H 1 5.729 0.003 A 56 TYR HBx H 1 2.641 0.003 A 56 TYR HBy H 1 2.881 0.000 A 56 TYR HDx H 1 7.077 0.003 A 56 TYR HEx H 1 6.853 0.007 A 56 TYR CA C 13 56.345 0.015 A 56 TYR CB C 13 42.117 0.053 A 56 TYR CDx C 13 133.681 0.025 A 56 TYR CEx C 13 118.442 0.066 A 56 TYR N N 15 122.689 0.098 A 57 ASP H H 1 9.159 0.004 A 57 ASP HA H 1 5.482 0.000 A 57 ASP HBy H 1 2.766 0.000 A 57 ASP CA C 13 54.990 0.045 A 57 ASP CB C 13 45.496 0.197 A 57 ASP N N 15 123.812 0.062 A 58 LEU H H 1 9.429 0.002 A 58 LEU HA H 1 5.572 0.071 A 58 LEU HBy H 1 1.720 0.000 A 58 LEU HBx H 1 1.252 0.000 A 58 LEU HDx% H 1 0.947 0.006 A 58 LEU HDy% H 1 0.930 0.003 A 58 LEU CA C 13 53.329 0.020 A 58 LEU CB C 13 46.333 0.008 A 58 LEU CDx C 13 25.072 0.030 A 58 LEU CDy C 13 27.243 0.058 A 58 LEU N N 15 127.339 0.066 A 59 HIS H H 1 10.385 0.002 A 59 HIS HA H 1 6.128 0.002 A 59 HIS HBy H 1 3.425 0.008 A 59 HIS HBx H 1 3.062 0.008 A 59 HIS HD2 H 1 7.136 0.004 A 59 HIS HE1 H 1 7.997 0.000 A 59 HIS CA C 13 52.785 0.045 A 59 HIS CB C 13 31.947 0.011 A 59 HIS CD2 C 13 129.096 0.022 A 59 HIS CE1 C 13 136.932 0.000 A 59 HIS N N 15 124.014 0.085 A 60 TYR H H 1 8.583 0.002 A 60 TYR HA H 1 6.027 0.010 A 60 TYR HBx H 1 2.996 0.004 A 60 TYR HBy H 1 3.358 0.000 A 60 TYR HDx H 1 7.056 0.014 A 60 TYR HEx H 1 6.763 0.002 A 60 TYR CA C 13 55.684 0.026 A 60 TYR CB C 13 39.558 0.006 A 60 TYR CDx C 13 133.816 0.189 A 60 TYR CEx C 13 116.937 0.023 A 60 TYR N N 15 119.660 0.035 A 61 TRP H H 1 9.319 0.002 A 61 TRP HA H 1 5.389 0.007 A 61 TRP HBy H 1 3.043 0.000 A 61 TRP HBx H 1 2.274 0.000 A 61 TRP HD1 H 1 6.041 0.002 A 61 TRP HE1 H 1 11.160 0.002 A 61 TRP HE3 H 1 7.808 0.001 A 61 TRP HZ2 H 1 7.027 0.000 A 61 TRP CA C 13 56.136 0.029 A 61 TRP CB C 13 34.280 0.023 A 61 TRP CD1 C 13 126.507 0.024 A 61 TRP CE3 C 13 122.321 0.043 A 61 TRP CZ2 C 13 112.090 0.000 A 61 TRP N N 15 124.681 0.070 A 61 TRP NE1 N 15 128.953 0.054 A 62 LEU H H 1 7.679 0.001 A 62 LEU HA H 1 4.708 0.007 A 62 LEU HBy H 1 1.627 0.000 A 62 LEU HBx H 1 1.172 0.000 A 62 LEU HDx% H 1 1.041 0.003 A 62 LEU HDy% H 1 0.910 0.005 A 62 LEU HG H 1 1.687 0.000 A 62 LEU CA C 13 52.474 0.002 A 62 LEU CB C 13 43.392 0.076 A 62 LEU CDx C 13 24.544 0.016 A 62 LEU CDy C 13 25.724 0.002 A 62 LEU CG C 13 26.260 0.000 A 62 LEU N N 15 125.047 0.042 A 63 GLY H H 1 7.873 0.003 A 63 GLY HAy H 1 4.054 0.004 A 63 GLY HAx H 1 3.581 0.004 A 63 GLY CA C 13 46.462 0.059 A 63 GLY N N 15 113.946 0.091 A 64 ASN H H 1 8.939 0.002 A 64 ASN HA H 1 4.324 0.008 A 64 ASN HBy H 1 2.633 0.001 A 64 ASN HD2y H 1 7.473 0.000 A 64 ASN HD2x H 1 6.677 0.000 A 64 ASN CA C 13 55.180 0.013 A 64 ASN CB C 13 38.489 0.057 A 64 ASN N N 15 120.841 0.043 A 64 ASN ND2 N 15 110.027 0.001 A 65 GLU H H 1 8.294 0.002 A 65 GLU HA H 1 4.557 0.010 A 65 GLU HBx H 1 1.508 0.006 A 65 GLU HBy H 1 2.333 0.000 A 65 GLU HGy H 1 2.122 0.003 A 65 GLU CA C 13 55.144 0.002 A 65 GLU CB C 13 29.834 0.035 A 65 GLU CG C 13 37.090 0.010 A 65 GLU N N 15 115.820 0.056 A 66 CYS H H 1 7.432 0.002 A 66 CYS HA H 1 4.469 0.001 A 66 CYS HBy H 1 2.803 0.003 A 66 CYS CA C 13 59.343 0.002 A 66 CYS CB C 13 27.700 0.023 A 66 CYS N N 15 121.621 0.038 A 67 SER H H 1 9.278 0.001 A 67 SER HA H 1 4.616 0.000 A 67 SER HBy H 1 4.339 0.000 A 67 SER HBx H 1 4.134 0.000 A 67 SER CA C 13 58.175 0.000 A 67 SER CB C 13 65.246 0.009 A 67 SER N N 15 123.816 0.038 A 68 GLN HA H 1 4.168 0.000 A 68 GLN HBy H 1 2.103 0.000 A 68 GLN HGy H 1 2.459 0.000 A 68 GLN HGx H 1 2.434 0.000 A 68 GLN CA C 13 58.685 0.000 A 68 GLN CB C 13 28.487 0.000 A 68 GLN CG C 13 34.020 0.059 A 69 ASP H H 1 8.489 0.004 A 69 ASP HA H 1 4.400 0.004 A 69 ASP HBy H 1 2.575 0.002 A 69 ASP CA C 13 57.314 0.015 A 69 ASP CB C 13 40.163 0.043 A 69 ASP N N 15 120.174 0.063 A 70 GLU H H 1 7.896 0.002 A 70 GLU HA H 1 4.051 0.017 A 70 GLU HBy H 1 2.254 0.003 A 70 GLU HBx H 1 2.012 0.004 A 70 GLU HGx H 1 2.186 0.007 A 70 GLU HGy H 1 2.633 0.006 A 70 GLU CA C 13 60.529 0.240 A 70 GLU CB C 13 29.531 0.024 A 70 GLU CG C 13 38.686 0.014 A 70 GLU N N 15 120.894 0.048 A 71 SER H H 1 8.406 0.004 A 71 SER HA H 1 4.078 0.004 A 71 SER HBx H 1 3.942 0.007 A 71 SER CA C 13 60.943 0.041 A 71 SER CB C 13 62.744 0.010 A 71 SER N N 15 115.527 0.040 A 72 GLY H H 1 8.292 0.001 A 72 GLY HAy H 1 3.882 0.000 A 72 GLY HAx H 1 3.870 0.013 A 72 GLY CA C 13 46.810 0.078 A 72 GLY N N 15 110.694 0.075 A 73 ALA H H 1 7.633 0.001 A 73 ALA HA H 1 3.925 0.000 A 73 ALA HB% H 1 1.331 0.005 A 73 ALA CA C 13 54.765 0.084 A 73 ALA CB C 13 18.355 0.092 A 73 ALA N N 15 123.542 0.051 A 74 ALA H H 1 8.148 0.002 A 74 ALA HA H 1 3.846 0.004 A 74 ALA HB% H 1 1.475 0.005 A 74 ALA CA C 13 55.598 0.056 A 74 ALA CB C 13 18.430 0.037 A 74 ALA N N 15 119.844 0.081 A 75 ALA H H 1 7.281 0.002 A 75 ALA HA H 1 3.103 0.003 A 75 ALA HB% H 1 1.240 0.003 A 75 ALA CA C 13 55.118 0.009 A 75 ALA CB C 13 17.870 0.018 A 75 ALA N N 15 120.572 0.053 A 76 ILE H H 1 7.619 0.001 A 76 ILE HA H 1 3.670 0.007 A 76 ILE HB H 1 1.683 0.001 A 76 ILE HD1% H 1 0.683 0.005 A 76 ILE HG1y H 1 1.080 0.000 A 76 ILE HG2% H 1 0.643 0.004 A 76 ILE CA C 13 64.368 0.038 A 76 ILE CB C 13 37.441 0.008 A 76 ILE CD1 C 13 12.302 0.202 A 76 ILE CG1 C 13 29.146 0.000 A 76 ILE CG2 C 13 17.069 0.024 A 76 ILE N N 15 119.718 0.036 A 77 PHE H H 1 8.647 0.002 A 77 PHE HA H 1 4.400 0.012 A 77 PHE HBy H 1 2.851 0.006 A 77 PHE HDx H 1 7.020 0.000 A 77 PHE CA C 13 61.987 0.069 A 77 PHE CB C 13 39.139 0.130 A 77 PHE CDx C 13 131.151 0.000 A 77 PHE N N 15 118.957 0.064 A 78 THR H H 1 7.738 0.002 A 78 THR HA H 1 3.692 0.004 A 78 THR HB H 1 4.153 0.000 A 78 THR HG2% H 1 1.239 0.006 A 78 THR CA C 13 68.451 0.080 A 78 THR CB C 13 67.999 0.000 A 78 THR CG2 C 13 21.853 0.028 A 78 THR N N 15 114.269 0.072 A 79 VAL H H 1 7.348 0.002 A 79 VAL HA H 1 3.592 0.005 A 79 VAL HB H 1 2.173 0.003 A 79 VAL HGx% H 1 0.941 0.002 A 79 VAL HGy% H 1 1.056 0.008 A 79 VAL CA C 13 66.492 0.010 A 79 VAL CB C 13 31.723 0.010 A 79 VAL CGx C 13 21.225 0.014 A 79 VAL CGy C 13 22.831 0.089 A 79 VAL N N 15 121.866 0.050 A 80 GLN H H 1 8.373 0.001 A 80 GLN HA H 1 4.099 0.005 A 80 GLN HBy H 1 2.415 0.004 A 80 GLN HBx H 1 2.188 0.013 A 80 GLN HE2y H 1 7.062 0.000 A 80 GLN HGy H 1 2.649 0.000 A 80 GLN HGx H 1 2.408 0.000 A 80 GLN CA C 13 58.992 0.081 A 80 GLN CB C 13 28.374 0.060 A 80 GLN CG C 13 34.326 0.009 A 80 GLN N N 15 118.787 0.035 A 80 GLN NE2 N 15 108.719 0.057 A 81 LEU H H 1 8.693 0.002 A 81 LEU HA H 1 3.278 0.002 A 81 LEU HBy H 1 1.348 0.000 A 81 LEU HBx H 1 1.103 0.009 A 81 LEU HDx% H 1 0.090 0.006 A 81 LEU HDy% H 1 0.208 0.002 A 81 LEU HG H 1 0.944 0.000 A 81 LEU CA C 13 57.534 0.003 A 81 LEU CB C 13 40.849 0.056 A 81 LEU CDx C 13 22.813 0.032 A 81 LEU CDy C 13 24.989 0.029 A 81 LEU CG C 13 27.222 0.000 A 81 LEU N N 15 123.742 0.075 A 82 ASP H H 1 7.893 0.008 A 82 ASP HA H 1 4.032 0.001 A 82 ASP HBy H 1 2.791 0.003 A 82 ASP HBx H 1 2.455 0.005 A 82 ASP CA C 13 57.772 0.034 A 82 ASP CB C 13 41.977 0.010 A 82 ASP N N 15 119.582 0.068 A 83 ASP H H 1 8.147 0.001 A 83 ASP HA H 1 4.260 0.007 A 83 ASP HBy H 1 2.740 0.010 A 83 ASP CA C 13 57.592 0.016 A 83 ASP CB C 13 40.773 0.010 A 83 ASP N N 15 118.510 0.062 A 84 TYR H H 1 8.101 0.002 A 84 TYR HA H 1 4.098 0.006 A 84 TYR HBx H 1 2.985 0.003 A 84 TYR HBy H 1 3.183 0.001 A 84 TYR HDx H 1 6.964 0.009 A 84 TYR HEx H 1 6.827 0.017 A 84 TYR CA C 13 61.507 0.035 A 84 TYR CB C 13 38.781 0.027 A 84 TYR CDx C 13 132.730 0.015 A 84 TYR CEx C 13 118.651 0.068 A 84 TYR N N 15 122.845 0.061 A 85 LEU H H 1 7.871 0.005 A 85 LEU HA H 1 4.031 0.003 A 85 LEU HBx H 1 1.334 0.000 A 85 LEU HDx% H 1 0.374 0.001 A 85 LEU HDy% H 1 0.050 0.010 A 85 LEU HG H 1 1.663 0.000 A 85 LEU CA C 13 54.636 0.055 A 85 LEU CB C 13 40.075 0.000 A 85 LEU CDx C 13 21.181 0.109 A 85 LEU CDy C 13 25.414 0.063 A 85 LEU CG C 13 25.911 0.000 A 85 LEU N N 15 119.246 0.111 A 86 ASN H H 1 8.021 0.001 A 86 ASN HA H 1 4.437 0.000 A 86 ASN HBy H 1 3.058 0.000 A 86 ASN HBx H 1 2.723 0.000 A 86 ASN HD2y H 1 6.803 0.000 A 86 ASN CA C 13 54.267 0.002 A 86 ASN CB C 13 37.505 0.013 A 86 ASN N N 15 116.104 0.044 A 86 ASN ND2 N 15 112.416 0.000 A 87 GLY H H 1 8.777 0.000 A 87 GLY HAx H 1 3.848 0.002 A 87 GLY HAy H 1 4.078 0.003 A 87 GLY CA C 13 46.361 0.014 A 87 GLY N N 15 107.404 0.068 A 88 ARG H H 1 7.386 0.002 A 88 ARG HA H 1 4.380 0.001 A 88 ARG HBx H 1 1.845 0.003 A 88 ARG HBy H 1 2.277 0.000 A 88 ARG HGy H 1 1.756 0.016 A 88 ARG CA C 13 56.102 0.004 A 88 ARG CB C 13 31.271 0.018 A 88 ARG CG C 13 27.635 0.014 A 88 ARG N N 15 116.724 0.060 A 89 ALA H H 1 8.844 0.002 A 89 ALA HA H 1 4.931 0.001 A 89 ALA HB% H 1 1.218 0.006 A 89 ALA CA C 13 51.548 0.005 A 89 ALA CB C 13 20.609 0.019 A 89 ALA N N 15 123.779 0.059 A 90 VAL H H 1 7.906 0.002 A 90 VAL HA H 1 3.967 0.006 A 90 VAL HB H 1 2.201 0.002 A 90 VAL HGx% H 1 0.987 0.005 A 90 VAL HGy% H 1 0.571 0.006 A 90 VAL CA C 13 62.836 0.011 A 90 VAL CB C 13 31.987 0.070 A 90 VAL CGy C 13 21.691 0.099 A 90 VAL CGx C 13 21.392 0.037 A 90 VAL N N 15 123.165 0.062 A 91 GLN H H 1 8.369 0.003 A 91 GLN HA H 1 5.141 0.002 A 91 GLN HBx H 1 1.792 0.007 A 91 GLN HBy H 1 2.016 0.000 A 91 GLN HE2x H 1 6.265 0.000 A 91 GLN HGx H 1 1.929 0.002 A 91 GLN HGy H 1 2.277 0.000 A 91 GLN CA C 13 55.458 0.018 A 91 GLN CB C 13 30.983 0.042 A 91 GLN CG C 13 33.831 0.047 A 91 GLN N N 15 126.189 0.042 A 91 GLN NE2 N 15 110.625 0.000 A 92 HIS H H 1 8.852 0.001 A 92 HIS HA H 1 4.675 0.001 A 92 HIS HBx H 1 2.560 0.007 A 92 HIS HBy H 1 3.032 0.004 A 92 HIS HD2 H 1 6.136 0.002 A 92 HIS HE1 H 1 6.598 0.001 A 92 HIS CA C 13 54.911 0.008 A 92 HIS CB C 13 33.964 0.067 A 92 HIS CD2 C 13 120.512 0.028 A 92 HIS CE1 C 13 136.476 0.023 A 92 HIS N N 15 120.186 0.036 A 93 ARG H H 1 8.657 0.005 A 93 ARG HA H 1 3.585 0.003 A 93 ARG HBx H 1 1.379 0.001 A 93 ARG HBy H 1 1.563 0.003 A 93 ARG HGy H 1 0.886 0.000 A 93 ARG CA C 13 55.408 0.009 A 93 ARG CB C 13 31.113 0.055 A 93 ARG CG C 13 27.892 0.000 A 93 ARG N N 15 126.357 0.067 A 94 GLU H H 1 8.792 0.003 A 94 GLU HA H 1 4.978 0.002 A 94 GLU HGy H 1 2.028 0.000 A 94 GLU HGx H 1 1.282 0.000 A 94 GLU CA C 13 53.043 0.012 A 94 GLU CG C 13 33.251 0.095 A 94 GLU N N 15 126.828 0.053 A 95 VAL H H 1 7.727 0.001 A 95 VAL HA H 1 3.861 0.004 A 95 VAL HB H 1 1.775 0.000 A 95 VAL HGx% H 1 0.695 0.001 A 95 VAL HGy% H 1 0.778 0.019 A 95 VAL CA C 13 60.003 0.016 A 95 VAL CB C 13 34.105 0.017 A 95 VAL CGy C 13 21.049 0.035 A 95 VAL CGx C 13 21.028 0.004 A 95 VAL N N 15 120.199 0.050 A 96 GLN H H 1 6.779 0.003 A 96 GLN HA H 1 3.782 0.005 A 96 GLN HBy H 1 1.645 0.013 A 96 GLN HBx H 1 1.377 0.006 A 96 GLN HE2x H 1 6.197 0.000 A 96 GLN HGy H 1 1.640 0.000 A 96 GLN HGx H 1 1.474 0.000 A 96 GLN CA C 13 57.821 0.019 A 96 GLN CB C 13 27.886 0.122 A 96 GLN CG C 13 31.361 0.015 A 96 GLN N N 15 124.765 0.041 A 96 GLN NE2 N 15 108.175 0.000 A 97 GLY H H 1 8.349 0.002 A 97 GLY HAy H 1 3.950 0.012 A 97 GLY HAx H 1 3.676 0.005 A 97 GLY CA C 13 45.085 0.023 A 97 GLY N N 15 116.690 0.087 A 98 PHE H H 1 8.488 0.003 A 98 PHE HA H 1 4.827 0.004 A 98 PHE HBy H 1 3.453 0.000 A 98 PHE HBx H 1 2.378 0.000 A 98 PHE HDx H 1 7.146 0.002 A 98 PHE HEx H 1 7.218 0.000 A 98 PHE CA C 13 56.820 0.006 A 98 PHE CB C 13 39.861 0.029 A 98 PHE CDx C 13 132.431 0.001 A 98 PHE CEx C 13 131.266 0.000 A 98 PHE N N 15 120.490 0.062 A 99 GLU H H 1 10.220 0.002 A 99 GLU HA H 1 4.356 0.008 A 99 GLU HBy H 1 2.099 0.000 A 99 GLU HBx H 1 1.901 0.015 A 99 GLU HGx H 1 2.145 0.004 A 99 GLU CA C 13 59.023 0.004 A 99 GLU CB C 13 29.506 0.018 A 99 GLU CG C 13 37.536 0.027 A 99 GLU N N 15 125.317 0.059 A 100 SER H H 1 10.275 0.002 A 100 SER HA H 1 4.204 0.000 A 100 SER HBy H 1 4.416 0.000 A 100 SER HBx H 1 4.376 0.000 A 100 SER CA C 13 58.313 0.009 A 100 SER CB C 13 64.655 0.047 A 100 SER N N 15 118.853 0.067 A 101 ALA H H 1 8.791 0.001 A 101 ALA HA H 1 3.983 0.002 A 101 ALA HB% H 1 1.426 0.003 A 101 ALA CA C 13 55.154 0.009 A 101 ALA CB C 13 17.825 0.019 A 101 ALA N N 15 123.692 0.045 A 102 THR H H 1 7.894 0.004 A 102 THR HA H 1 3.539 0.002 A 102 THR HB H 1 3.792 0.002 A 102 THR HG2% H 1 1.087 0.002 A 102 THR CA C 13 65.944 0.037 A 102 THR CB C 13 69.212 0.005 A 102 THR CG2 C 13 21.833 0.108 A 102 THR N N 15 114.109 0.052 A 103 PHE H H 1 7.402 0.002 A 103 PHE HA H 1 2.770 0.003 A 103 PHE HBy H 1 2.900 0.000 A 103 PHE HBx H 1 2.723 0.000 A 103 PHE HDx H 1 6.374 0.014 A 103 PHE CA C 13 59.778 0.019 A 103 PHE CB C 13 39.300 0.018 A 103 PHE CDx C 13 131.529 0.062 A 103 PHE N N 15 121.225 0.046 A 104 LEU H H 1 8.208 0.002 A 104 LEU HA H 1 3.785 0.007 A 104 LEU HBx H 1 1.393 0.000 A 104 LEU HBy H 1 1.688 0.002 A 104 LEU HDx% H 1 0.835 0.003 A 104 LEU HDy% H 1 0.856 0.005 A 104 LEU HG H 1 1.811 0.014 A 104 LEU CA C 13 57.815 0.050 A 104 LEU CB C 13 41.391 0.026 A 104 LEU CDy C 13 25.454 0.017 A 104 LEU CDx C 13 23.060 0.026 A 104 LEU CG C 13 26.705 0.014 A 104 LEU N N 15 115.567 0.058 A 105 GLY H H 1 7.490 0.003 A 105 GLY HAx H 1 3.635 0.001 A 105 GLY HAy H 1 3.813 0.000 A 105 GLY CA C 13 45.692 0.000 A 105 GLY N N 15 103.858 0.095 A 106 TYR H H 1 7.050 0.002 A 106 TYR HA H 1 4.296 0.000 A 106 TYR HBx H 1 1.780 0.001 A 106 TYR HBy H 1 2.112 0.006 A 106 TYR HDx H 1 6.289 0.004 A 106 TYR HEx H 1 6.188 0.004 A 106 TYR CA C 13 54.942 0.005 A 106 TYR CB C 13 35.658 0.006 A 106 TYR CDx C 13 130.852 0.055 A 106 TYR CEx C 13 117.466 0.052 A 106 TYR N N 15 118.137 0.041 A 107 PHE H H 1 7.042 0.004 A 107 PHE HA H 1 4.470 0.000 A 107 PHE HBx H 1 2.575 0.000 A 107 PHE HBy H 1 2.931 0.002 A 107 PHE HDx H 1 6.848 0.006 A 107 PHE HEx H 1 6.676 0.331 A 107 PHE HZ H 1 6.486 0.006 A 107 PHE CA C 13 56.364 0.000 A 107 PHE CB C 13 38.965 0.023 A 107 PHE CDx C 13 133.018 0.024 A 107 PHE CEx C 13 130.609 0.021 A 107 PHE CZ C 13 127.382 0.059 A 107 PHE N N 15 117.025 0.086 A 109 SER HA H 1 4.546 0.000 A 109 SER HBx H 1 3.875 0.000 A 109 SER CA C 13 57.595 0.000 A 109 SER CB C 13 63.430 0.000 A 110 GLY H H 1 7.570 0.001 A 110 GLY HAy H 1 4.084 0.003 A 110 GLY HAx H 1 3.713 0.005 A 110 GLY CA C 13 44.222 0.033 A 110 GLY N N 15 108.835 0.045 A 111 LEU H H 1 8.082 0.001 A 111 LEU HA H 1 4.282 0.001 A 111 LEU HBy H 1 1.103 0.002 A 111 LEU HBx H 1 0.788 0.001 A 111 LEU HDx% H 1 0.137 0.012 A 111 LEU HDy% H 1 0.492 0.007 A 111 LEU HG H 1 1.195 0.006 A 111 LEU CA C 13 54.270 0.004 A 111 LEU CB C 13 42.708 0.030 A 111 LEU CDx C 13 24.671 0.099 A 111 LEU CDy C 13 25.935 0.048 A 111 LEU CG C 13 27.357 0.037 A 111 LEU N N 15 120.451 0.053 A 112 LYS H H 1 8.440 0.001 A 112 LYS HA H 1 4.219 0.061 A 112 LYS HBx H 1 1.426 0.010 A 112 LYS HBy H 1 1.661 0.015 A 112 LYS HDx H 1 1.433 0.000 A 112 LYS HGy H 1 1.094 0.001 A 112 LYS CA C 13 54.388 0.113 A 112 LYS CB C 13 33.322 0.050 A 112 LYS CD C 13 28.703 0.000 A 112 LYS CG C 13 24.353 0.006 A 112 LYS N N 15 123.948 0.087 A 113 TYR H H 1 8.070 0.002 A 113 TYR HA H 1 5.511 0.007 A 113 TYR HBy H 1 2.869 0.020 A 113 TYR HDx H 1 7.068 0.005 A 113 TYR HEx H 1 6.862 0.014 A 113 TYR CA C 13 54.290 0.021 A 113 TYR CB C 13 38.036 0.018 A 113 TYR CDx C 13 132.273 0.022 A 113 TYR CEx C 13 119.091 0.098 A 113 TYR N N 15 122.798 0.054 A 114 LYS H H 1 8.856 0.003 A 114 LYS HA H 1 4.528 0.001 A 114 LYS HBx H 1 1.437 0.004 A 114 LYS HDy H 1 1.186 0.000 A 114 LYS HGx H 1 0.973 0.000 A 114 LYS CA C 13 54.245 0.000 A 114 LYS CB C 13 34.372 0.008 A 114 LYS CD C 13 28.618 0.000 A 114 LYS CG C 13 24.196 0.000 A 114 LYS N N 15 125.520 0.046 A 115 LYS H H 1 8.440 0.020 A 115 LYS HA H 1 4.503 0.003 A 115 LYS HBx H 1 1.770 0.016 A 115 LYS HGy H 1 1.465 0.006 A 115 LYS CA C 13 56.649 0.001 A 115 LYS CB C 13 33.056 0.006 A 115 LYS CG C 13 24.922 0.002 A 115 LYS N N 15 123.481 0.064 A 116 GLY H H 1 8.363 0.002 A 116 GLY HAy H 1 3.946 0.000 A 116 GLY HAx H 1 3.579 0.000 A 116 GLY CA C 13 44.196 0.002 A 116 GLY N N 15 111.835 0.060 A 119 ALA HA H 1 4.222 0.000 A 119 ALA HB% H 1 1.416 0.000 A 119 ALA CA C 13 53.605 0.000 A 119 ALA CB C 13 18.837 0.097 A 121 GLY H H 1 8.124 0.000 A 121 GLY N N 15 109.471 0.000 A 124 HIS HA H 1 4.539 0.000 A 124 HIS HBy H 1 2.986 0.000 A 124 HIS CA C 13 56.410 0.000 A 124 HIS CB C 13 30.279 0.000 A 125 VAL H H 1 7.950 0.001 A 125 VAL HA H 1 4.135 0.000 A 125 VAL HB H 1 1.946 0.000 A 125 VAL HGx% H 1 0.859 0.000 A 125 VAL CA C 13 61.837 0.000 A 125 VAL CB C 13 33.480 0.000 A 125 VAL CGx C 13 20.671 0.000 A 125 VAL N N 15 122.566 0.090 A 126 VAL H H 1 8.356 0.000 A 126 VAL N N 15 126.192 0.000 A 127 PRO HA H 1 4.337 0.000 A 127 PRO CA C 13 63.239 0.000 A 128 ASN H H 1 8.433 0.001 A 128 ASN HA H 1 4.564 0.010 A 128 ASN HBx H 1 2.730 0.000 A 128 ASN CA C 13 53.645 0.010 A 128 ASN CB C 13 38.948 0.000 A 128 ASN N N 15 118.819 0.071 A 129 GLU H H 1 8.302 0.001 A 129 GLU HA H 1 4.242 0.005 A 129 GLU HBy H 1 1.923 0.007 A 129 GLU HGx H 1 2.183 0.002 A 129 GLU CA C 13 56.718 0.015 A 129 GLU CB C 13 30.421 0.001 A 129 GLU CG C 13 36.232 0.008 A 129 GLU N N 15 120.983 0.053 A 130 VAL H H 1 8.116 0.001 A 130 VAL HA H 1 4.011 0.000 A 130 VAL HB H 1 1.992 0.000 A 130 VAL HGx% H 1 0.886 0.000 A 130 VAL CA C 13 62.748 0.000 A 130 VAL CB C 13 32.547 0.000 A 130 VAL CGx C 13 20.933 0.000 A 130 VAL N N 15 122.076 0.042 A 131 VAL H H 1 8.148 0.001 A 131 VAL HA H 1 4.002 0.000 A 131 VAL HB H 1 1.985 0.000 A 131 VAL HGx% H 1 0.878 0.000 A 131 VAL CA C 13 62.696 0.000 A 131 VAL CB C 13 32.615 0.000 A 131 VAL CGx C 13 20.946 0.000 A 131 VAL N N 15 125.123 0.035 A 132 VAL H H 1 8.197 0.001 A 132 VAL HA H 1 4.012 0.012 A 132 VAL HB H 1 1.975 0.000 A 132 VAL HGx% H 1 0.875 0.000 A 132 VAL CA C 13 62.519 0.028 A 132 VAL CB C 13 32.623 0.000 A 132 VAL CGx C 13 20.892 0.000 A 132 VAL N N 15 124.852 0.040 A 133 GLN H H 1 8.370 0.001 A 133 GLN HA H 1 4.247 0.000 A 133 GLN HBx H 1 1.944 0.000 A 133 GLN CA C 13 55.855 0.000 A 133 GLN CB C 13 29.485 0.000 A 133 GLN N N 15 124.477 0.114 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 3 PRO HA A 4 GLU H 1.0 1.8 5.0 2 2 A 3 PRO HA A 5 PHE H 1.0 1.8 5.0 3 3 A 3 PRO HA A 6 LEU H 1.0 1.8 5.0 4 4 A 4 GLU H A 3 PRO HBx 1.0 1.8 6.0 5 4 A 4 GLU H A 3 PRO HBy 1.0 1.8 6.0 6 5 A 4 GLU H A 3 PRO HGx 1.0 1.8 6.0 7 5 A 4 GLU H A 3 PRO HGy 1.0 1.8 6.0 8 6 A 4 GLU H A 4 GLU HA 1.0 1.8 3.5 9 7 A 5 PHE H A 4 GLU HA 1.0 1.8 3.5 10 8 A 4 GLU HA A 7 LYS H 1.0 1.8 3.5 11 9 A 4 GLU H A 4 GLU HBx 1.0 1.8 5.6 12 9 A 4 GLU H A 4 GLU HBy 1.0 1.8 5.6 13 10 A 5 PHE H A 4 GLU HBx 1.0 1.8 4.5 14 10 A 5 PHE H A 4 GLU HBy 1.0 1.8 4.5 15 11 A 4 GLU H A 4 GLU HGx 1.0 1.8 4.5 16 11 A 4 GLU H A 4 GLU HGy 1.0 1.8 4.5 17 12 A 5 PHE H A 4 GLU HGx 1.0 1.8 6.0 18 12 A 5 PHE H A 4 GLU HGy 1.0 1.8 6.0 19 13 A 4 GLU H A 5 PHE H 1.0 1.8 2.9 20 14 A 4 GLU H A 6 LEU H 1.0 1.8 5.0 21 15 A 5 PHE H A 5 PHE HA 1.0 1.8 3.5 22 16 A 6 LEU H A 5 PHE HA 1.0 1.8 5.0 23 17 A 7 LYS H A 5 PHE HA 1.0 1.8 5.0 24 18 A 5 PHE HA A 8 ALA H 1.0 1.8 3.5 25 19 A 5 PHE H A 5 PHE HBy 1.0 1.8 3.5 26 19 A 5 PHE H A 5 PHE HBx 1.0 1.8 3.5 27 20 A 6 LEU H A 5 PHE HBy 1.0 1.8 4.5 28 20 A 6 LEU H A 5 PHE HBx 1.0 1.8 4.5 29 21 A 5 PHE H A 5 PHE HD% 1.0 1.8 5.5 30 22 A 5 PHE H A 5 PHE HE% 1.0 1.8 7.0 31 23 A 5 PHE H A 6 LEU H 1.0 1.8 2.9 32 24 A 6 LEU H A 6 LEU HA 1.0 1.8 2.9 33 25 A 7 LYS H A 6 LEU HA 1.0 1.8 3.5 34 26 A 8 ALA H A 6 LEU HA 1.0 1.8 5.0 35 27 A 6 LEU H A 6 LEU HBx 1.0 1.8 3.5 36 27 A 6 LEU H A 6 LEU HBy 1.0 1.8 3.5 37 28 A 7 LYS H A 6 LEU HBx 1.0 1.8 4.5 38 28 A 7 LYS H A 6 LEU HBy 1.0 1.8 4.5 39 29 A 6 LEU H A 6 LEU HDx% 1.0 1.8 5.2 40 29 A 6 LEU H A 6 LEU HDy% 1.0 1.8 5.2 41 30 A 6 LEU H A 6 LEU HG 1.0 1.8 2.9 42 31 A 7 LYS H A 6 LEU HG 1.0 1.8 5.0 43 32 A 6 LEU H A 8 ALA H 1.0 1.8 5.0 44 33 A 7 LYS H A 7 LYS HA 1.0 1.8 2.9 45 34 A 8 ALA H A 7 LYS HA 1.0 1.8 3.5 46 35 A 7 LYS H A 7 LYS HBx 1.0 1.8 4.1 47 35 A 7 LYS H A 7 LYS HBy 1.0 1.8 4.1 48 36 A 8 ALA H A 7 LYS HBx 1.0 1.8 4.5 49 36 A 8 ALA H A 7 LYS HBy 1.0 1.8 4.5 50 37 A 7 LYS H A 7 LYS HDx 1.0 1.8 4.5 51 37 A 7 LYS H A 7 LYS HDy 1.0 1.8 4.5 52 38 A 7 LYS H A 7 LYS HEx 1.0 1.8 6.0 53 38 A 7 LYS H A 7 LYS HEy 1.0 1.8 6.0 54 39 A 7 LYS H A 7 LYS HGx 1.0 1.8 3.9 55 39 A 7 LYS H A 7 LYS HGy 1.0 1.8 3.9 56 40 A 8 ALA H A 7 LYS HGx 1.0 1.8 6.0 57 40 A 8 ALA H A 7 LYS HGy 1.0 1.8 6.0 58 41 A 7 LYS H A 8 ALA H 1.0 1.8 2.9 59 42 A 8 ALA HA A 10 LYS H 1.0 1.8 5.0 60 43 A 8 ALA HA A 15 GLN HE2y 1.0 1.8 3.5 61 44 A 8 ALA H A 8 ALA HA 1.0 1.8 3.5 62 45 A 8 ALA HA A 9 GLY H 1.0 1.8 2.9 63 46 A 8 ALA H A 8 ALA HB% 1.0 1.8 4.0 64 47 A 9 GLY H A 8 ALA HB% 1.0 1.8 5.0 65 48 A 8 ALA H A 9 GLY H 1.0 1.8 5.0 66 49 A 10 LYS H A 9 GLY HAy 1.0 1.8 4.5 67 49 A 10 LYS H A 9 GLY HAx 1.0 1.8 4.5 68 50 A 11 GLU H A 9 GLY HAy 1.0 1.8 6.0 69 50 A 9 GLY HAx A 11 GLU H 1.0 1.8 6.0 70 51 A 9 GLY H A 9 GLY HAy 1.0 1.8 3.5 71 51 A 9 GLY H A 9 GLY HAx 1.0 1.8 3.5 72 52 A 10 LYS H A 9 GLY H 1.0 1.8 2.9 73 53 A 9 GLY H A 11 GLU H 1.0 1.8 5.0 74 54 A 9 GLY H A 15 GLN HE2x 1.0 1.8 3.5 75 55 A 15 GLN HE2y A 9 GLY H 1.0 1.8 5.0 76 56 A 9 GLY H A 17 TRP HH2 1.0 1.8 5.0 77 57 A 9 GLY H A 44 LEU HDx% 1.0 1.8 5.9 78 57 A 9 GLY H A 44 LEU HDy% 1.0 1.8 5.9 79 58 A 9 GLY H A 56 TYR HE% 1.0 1.8 7.0 80 59 A 10 LYS H A 10 LYS HA 1.0 1.8 2.9 81 60 A 11 GLU H A 10 LYS HA 1.0 1.8 3.5 82 61 A 10 LYS H A 10 LYS HBx 1.0 1.8 3.5 83 61 A 10 LYS H A 10 LYS HBy 1.0 1.8 3.5 84 62 A 11 GLU H A 10 LYS HBx 1.0 1.8 4.5 85 62 A 11 GLU H A 10 LYS HBy 1.0 1.8 4.5 86 63 A 10 LYS H A 10 LYS HDx 1.0 1.8 4.5 87 63 A 10 LYS H A 10 LYS HDy 1.0 1.8 4.5 88 64 A 11 GLU H A 10 LYS HDx 1.0 1.8 6.0 89 64 A 11 GLU H A 10 LYS HDy 1.0 1.8 6.0 90 65 A 10 LYS H A 10 LYS HGy 1.0 1.8 3.9 91 65 A 10 LYS H A 10 LYS HGx 1.0 1.8 3.9 92 66 A 11 GLU H A 10 LYS HGy 1.0 1.8 6.0 93 66 A 11 GLU H A 10 LYS HGx 1.0 1.8 6.0 94 67 A 10 LYS H A 11 GLU H 1.0 1.8 2.9 95 68 A 10 LYS H A 56 TYR HE% 1.0 1.8 7.0 96 69 A 11 GLU H A 11 GLU HA 1.0 1.8 2.9 97 70 A 11 GLU H A 11 GLU HBx 1.0 1.8 4.1 98 70 A 11 GLU H A 11 GLU HBy 1.0 1.8 4.1 99 71 A 11 GLU H A 11 GLU HGx 1.0 1.8 3.9 100 71 A 11 GLU H A 11 GLU HGy 1.0 1.8 3.9 101 72 A 11 GLU H A 12 PRO HDx 1.0 1.8 6.0 102 72 A 11 GLU H A 12 PRO HDy 1.0 1.8 6.0 103 73 A 11 GLU H A 46 THR HG2% 1.0 1.8 5.0 104 74 A 11 GLU H A 54 LEU HDx% 1.0 1.8 5.9 105 74 A 11 GLU H A 54 LEU HDy% 1.0 1.8 5.9 106 75 A 12 PRO HA A 13 GLY H 1.0 1.8 2.9 107 76 A 12 PRO HA A 46 THR H 1.0 1.8 5.0 108 77 A 13 GLY H A 12 PRO HBx 1.0 1.8 4.5 109 77 A 13 GLY H A 12 PRO HBy 1.0 1.8 4.5 110 78 A 13 GLY H A 13 GLY HAx 1.0 1.8 4.1 111 78 A 13 GLY H A 13 GLY HAy 1.0 1.8 4.1 112 79 A 14 LEU H A 13 GLY HAx 1.0 1.8 3.9 113 79 A 13 GLY HAy A 14 LEU H 1.0 1.8 3.9 114 80 A 13 GLY H A 14 LEU H 1.0 1.8 3.5 115 81 A 13 GLY H A 45 LYS HA 1.0 1.8 5.0 116 82 A 13 GLY H A 46 THR HA 1.0 1.8 5.0 117 83 A 13 GLY H A 46 THR HB 1.0 1.8 2.9 118 84 A 46 THR HG2% A 13 GLY H 1.0 1.8 5.0 119 85 A 13 GLY H A 46 THR H 1.0 1.8 3.5 120 86 A 14 LEU H A 14 LEU HA 1.0 1.8 3.5 121 87 A 14 LEU HA A 15 GLN H 1.0 1.8 2.9 122 88 A 46 THR H A 14 LEU HA 1.0 1.8 3.5 123 89 A 14 LEU H A 14 LEU HBx 1.0 1.8 3.5 124 89 A 14 LEU H A 14 LEU HBy 1.0 1.8 3.5 125 90 A 15 GLN H A 14 LEU HBx 1.0 1.8 6.0 126 90 A 15 GLN H A 14 LEU HBy 1.0 1.8 6.0 127 91 A 14 LEU H A 14 LEU HDx% 1.0 1.8 6.7 128 91 A 14 LEU H A 14 LEU HDy% 1.0 1.8 6.7 129 92 A 15 GLN H A 14 LEU HDx% 1.0 1.8 5.3 130 92 A 15 GLN H A 14 LEU HDy% 1.0 1.8 5.3 131 93 A 44 LEU H A 14 LEU HDx% 1.0 1.8 7.4 132 93 A 14 LEU HDy% A 44 LEU H 1.0 1.8 7.4 133 94 A 45 LYS H A 14 LEU HDx% 1.0 1.8 7.4 134 94 A 14 LEU HDy% A 45 LYS H 1.0 1.8 7.4 135 95 A 46 THR H A 14 LEU HDx% 1.0 1.8 7.4 136 95 A 46 THR H A 14 LEU HDy% 1.0 1.8 7.4 137 96 A 15 GLN H A 14 LEU HG 1.0 1.8 5.0 138 97 A 15 GLN H A 15 GLN HA 1.0 1.8 3.5 139 98 A 15 GLN HA A 16 ILE H 1.0 1.8 2.9 140 99 A 15 GLN H A 15 GLN HBy 1.0 1.8 4.1 141 99 A 15 GLN H A 15 GLN HBx 1.0 1.8 4.1 142 100 A 16 ILE H A 15 GLN HBy 1.0 1.8 6.0 143 100 A 16 ILE H A 15 GLN HBx 1.0 1.8 6.0 144 101 A 15 GLN H A 15 GLN HGx 1.0 1.8 6.0 145 101 A 15 GLN H A 15 GLN HGy 1.0 1.8 6.0 146 102 A 16 ILE H A 15 GLN HGx 1.0 1.8 6.0 147 102 A 16 ILE H A 15 GLN HGy 1.0 1.8 6.0 148 103 A 15 GLN H A 16 ILE H 1.0 1.8 5.0 149 104 A 15 GLN H A 43 ILE HA 1.0 1.8 5.0 150 105 A 15 GLN H A 44 LEU H 1.0 1.8 3.5 151 106 A 16 ILE H A 16 ILE HA 1.0 1.8 5.0 152 107 A 16 ILE HA A 17 TRP H 1.0 1.8 2.9 153 108 A 44 LEU H A 16 ILE HA 1.0 1.8 5.0 154 109 A 16 ILE H A 16 ILE HB 1.0 1.8 3.5 155 110 A 16 ILE H A 16 ILE HD1% 1.0 1.8 6.5 156 111 A 17 TRP H A 16 ILE HD1% 1.0 1.8 6.5 157 112 A 16 ILE HD1% A 33 GLY H 1.0 1.8 5.0 158 113 A 16 ILE H A 16 ILE HG1y 1.0 1.8 5.0 159 114 A 16 ILE H A 16 ILE HG2% 1.0 1.8 6.5 160 115 A 17 TRP H A 16 ILE HG2% 1.0 1.8 4.4 161 116 A 16 ILE HG2% A 27 VAL H 1.0 1.8 6.5 162 117 A 16 ILE HG2% A 42 VAL H 1.0 1.8 6.5 163 118 A 16 ILE H A 17 TRP H 1.0 1.8 5.0 164 119 A 17 TRP H A 17 TRP HA 1.0 1.8 3.5 165 120 A 17 TRP HA A 18 ARG H 1.0 1.8 2.9 166 121 A 27 VAL H A 17 TRP HA 1.0 1.8 3.5 167 122 A 17 TRP H A 17 TRP HBx 1.0 1.8 5.6 168 122 A 17 TRP H A 17 TRP HBy 1.0 1.8 5.6 169 123 A 18 ARG H A 17 TRP HBx 1.0 1.8 4.5 170 123 A 18 ARG H A 17 TRP HBy 1.0 1.8 4.5 171 124 A 25 VAL H A 17 TRP HBx 1.0 1.8 6.0 172 124 A 17 TRP HBy A 25 VAL H 1.0 1.8 6.0 173 125 A 27 VAL H A 17 TRP HD1 1.0 1.8 5.0 174 126 A 17 TRP H A 42 VAL H 1.0 1.8 3.5 175 127 A 43 ILE HA A 17 TRP H 1.0 1.8 5.0 176 128 A 18 ARG H A 18 ARG HA 1.0 1.8 5.0 177 129 A 18 ARG HA A 19 VAL H 1.0 1.8 3.5 178 130 A 42 VAL H A 18 ARG HA 1.0 1.8 5.0 179 131 A 18 ARG H A 18 ARG HBx 1.0 1.8 4.1 180 131 A 18 ARG H A 18 ARG HBy 1.0 1.8 4.1 181 132 A 18 ARG H A 18 ARG HGx 1.0 1.8 6.0 182 132 A 18 ARG H A 18 ARG HGy 1.0 1.8 6.0 183 133 A 19 VAL H A 18 ARG HGx 1.0 1.8 6.0 184 133 A 19 VAL H A 18 ARG HGy 1.0 1.8 6.0 185 134 A 18 ARG H A 25 VAL HB 1.0 1.8 5.0 186 135 A 18 ARG H A 25 VAL H 1.0 1.8 3.5 187 136 A 18 ARG H A 26 PRO HA 1.0 1.8 3.5 188 137 A 18 ARG H A 27 VAL HGx% 1.0 1.8 5.9 189 137 A 18 ARG H A 27 VAL HGy% 1.0 1.8 5.9 190 138 A 27 VAL H A 18 ARG H 1.0 1.8 5.0 191 139 A 19 VAL H A 19 VAL HA 1.0 1.8 5.0 192 140 A 19 VAL HA A 20 GLU H 1.0 1.8 2.9 193 141 A 19 VAL HA A 23 ASP H 1.0 1.8 5.0 194 142 A 25 VAL H A 19 VAL HA 1.0 1.8 5.0 195 143 A 19 VAL H A 19 VAL HB 1.0 1.8 2.9 196 144 A 19 VAL H A 19 VAL HGx% 1.0 1.8 4.6 197 144 A 19 VAL H A 19 VAL HGy% 1.0 1.8 4.6 198 145 A 20 GLU H A 19 VAL HGx% 1.0 1.8 5.9 199 145 A 20 GLU H A 19 VAL HGy% 1.0 1.8 5.9 200 146 A 21 LYS H A 19 VAL HGx% 1.0 1.8 5.9 201 146 A 19 VAL HGy% A 21 LYS H 1.0 1.8 5.9 202 147 A 22 PHE H A 19 VAL HGx% 1.0 1.8 7.4 203 147 A 19 VAL HGy% A 22 PHE H 1.0 1.8 7.4 204 148 A 19 VAL H A 41 TYR HA 1.0 1.8 3.5 205 149 A 42 VAL H A 19 VAL H 1.0 1.8 5.0 206 150 A 20 GLU H A 20 GLU HA 1.0 1.8 3.5 207 151 A 21 LYS H A 20 GLU HA 1.0 1.8 2.9 208 152 A 20 GLU H A 20 GLU HBx 1.0 1.8 4.1 209 152 A 20 GLU H A 20 GLU HBy 1.0 1.8 4.1 210 153 A 21 LYS H A 20 GLU HBx 1.0 1.8 6.0 211 153 A 21 LYS H A 20 GLU HBy 1.0 1.8 6.0 212 154 A 23 ASP H A 20 GLU HBx 1.0 1.8 6.0 213 154 A 23 ASP H A 20 GLU HBy 1.0 1.8 6.0 214 155 A 20 GLU H A 20 GLU HGx 1.0 1.8 6.0 215 155 A 20 GLU H A 20 GLU HGy 1.0 1.8 6.0 216 156 A 20 GLU H A 21 LYS H 1.0 1.8 5.0 217 157 A 20 GLU H A 23 ASP H 1.0 1.8 3.5 218 158 A 20 GLU H A 24 LEU HA 1.0 1.8 5.0 219 159 A 20 GLU H A 25 VAL HGx% 1.0 1.8 5.9 220 159 A 20 GLU H A 25 VAL HGy% 1.0 1.8 5.9 221 160 A 25 VAL H A 20 GLU H 1.0 1.8 5.0 222 161 A 21 LYS H A 21 LYS HA 1.0 1.8 2.9 223 162 A 22 PHE H A 21 LYS HA 1.0 1.8 3.5 224 163 A 23 ASP H A 21 LYS HA 1.0 1.8 5.0 225 164 A 21 LYS H A 21 LYS HBx 1.0 1.8 4.1 226 164 A 21 LYS H A 21 LYS HBy 1.0 1.8 4.1 227 165 A 22 PHE H A 21 LYS HBx 1.0 1.8 4.5 228 165 A 22 PHE H A 21 LYS HBy 1.0 1.8 4.5 229 166 A 23 ASP H A 21 LYS HBx 1.0 1.8 6.0 230 166 A 23 ASP H A 21 LYS HBy 1.0 1.8 6.0 231 167 A 21 LYS H A 21 LYS HGx 1.0 1.8 4.5 232 167 A 21 LYS H A 21 LYS HGy 1.0 1.8 4.5 233 168 A 22 PHE H A 21 LYS HGx 1.0 1.8 6.0 234 168 A 22 PHE H A 21 LYS HGy 1.0 1.8 6.0 235 169 A 21 LYS H A 22 PHE H 1.0 1.8 3.5 236 170 A 21 LYS H A 25 VAL HGx% 1.0 1.8 5.9 237 170 A 21 LYS H A 25 VAL HGy% 1.0 1.8 5.9 238 171 A 22 PHE H A 22 PHE HBy 1.0 1.8 5.6 239 171 A 22 PHE H A 22 PHE HBx 1.0 1.8 5.6 240 172 A 23 ASP H A 22 PHE HBy 1.0 1.8 6.0 241 172 A 23 ASP H A 22 PHE HBx 1.0 1.8 6.0 242 173 A 23 ASP H A 22 PHE H 1.0 1.8 2.9 243 174 A 23 ASP H A 23 ASP HA 1.0 1.8 2.9 244 175 A 23 ASP HA A 24 LEU H 1.0 1.8 3.5 245 176 A 23 ASP H A 23 ASP HBx 1.0 1.8 3.5 246 176 A 23 ASP H A 23 ASP HBy 1.0 1.8 3.5 247 177 A 24 LEU H A 23 ASP HBx 1.0 1.8 4.5 248 177 A 24 LEU H A 23 ASP HBy 1.0 1.8 4.5 249 178 A 24 LEU HA A 24 LEU H 1.0 1.8 5.0 250 179 A 25 VAL H A 24 LEU HA 1.0 1.8 2.9 251 180 A 24 LEU H A 24 LEU HBx 1.0 1.8 5.6 252 180 A 24 LEU H A 24 LEU HBy 1.0 1.8 5.6 253 181 A 25 VAL H A 24 LEU HDx% 1.0 1.8 5.9 254 181 A 25 VAL H A 24 LEU HDy% 1.0 1.8 5.9 255 182 A 25 VAL H A 25 VAL HA 1.0 1.8 5.0 256 183 A 25 VAL H A 25 VAL HB 1.0 1.8 2.9 257 184 A 25 VAL H A 25 VAL HGx% 1.0 1.8 4.6 258 184 A 25 VAL H A 25 VAL HGy% 1.0 1.8 4.6 259 185 A 27 VAL H A 26 PRO HA 1.0 1.8 2.9 260 186 A 27 VAL H A 26 PRO HBx 1.0 1.8 4.5 261 186 A 27 VAL H A 26 PRO HBy 1.0 1.8 4.5 262 187 A 27 VAL H A 27 VAL HA 1.0 1.8 3.5 263 188 A 27 VAL H A 27 VAL HB 1.0 1.8 2.9 264 189 A 27 VAL H A 27 VAL HGx% 1.0 1.8 4.6 265 189 A 27 VAL H A 27 VAL HGy% 1.0 1.8 4.6 266 190 A 28 PRO HA A 29 THR H 1.0 1.8 2.9 267 191 A 29 THR H A 28 PRO HBy 1.0 1.8 3.9 268 191 A 29 THR H A 28 PRO HBx 1.0 1.8 3.9 269 192 A 31 LEU H A 28 PRO HBy 1.0 1.8 6.0 270 192 A 28 PRO HBx A 31 LEU H 1.0 1.8 6.0 271 193 A 29 THR H A 28 PRO HGx 1.0 1.8 6.0 272 193 A 29 THR H A 28 PRO HGy 1.0 1.8 6.0 273 194 A 31 LEU H A 28 PRO HGx 1.0 1.8 6.0 274 194 A 31 LEU H A 28 PRO HGy 1.0 1.8 6.0 275 195 A 29 THR H A 29 THR HA 1.0 1.8 2.9 276 196 A 31 LEU H A 29 THR HA 1.0 1.8 3.5 277 197 A 29 THR HA A 32 TYR H 1.0 1.8 5.0 278 198 A 29 THR H A 29 THR HB 1.0 1.8 3.5 279 199 A 29 THR H A 29 THR HG2% 1.0 1.8 4.4 280 200 A 30 ASN HA A 30 ASN H 1.0 1.8 5.0 281 201 A 31 LEU H A 30 ASN HA 1.0 1.8 3.5 282 202 A 32 TYR H A 30 ASN HA 1.0 1.8 5.0 283 203 A 30 ASN H A 30 ASN HBx 1.0 1.8 5.6 284 203 A 30 ASN H A 30 ASN HBy 1.0 1.8 5.6 285 204 A 31 LEU H A 30 ASN HBx 1.0 1.8 6.0 286 204 A 31 LEU H A 30 ASN HBy 1.0 1.8 6.0 287 205 A 31 LEU H A 30 ASN H 1.0 1.8 3.5 288 206 A 31 LEU H A 31 LEU HA 1.0 1.8 2.9 289 207 A 32 TYR H A 31 LEU HA 1.0 1.8 3.5 290 208 A 31 LEU H A 31 LEU HBy 1.0 1.8 4.1 291 208 A 31 LEU H A 31 LEU HBx 1.0 1.8 4.1 292 209 A 31 LEU H A 31 LEU HDx% 1.0 1.8 5.2 293 209 A 31 LEU H A 31 LEU HDy% 1.0 1.8 5.2 294 210 A 31 LEU H A 31 LEU HG 1.0 1.8 2.9 295 211 A 31 LEU H A 32 TYR H 1.0 1.8 2.9 296 212 A 32 TYR H A 32 TYR HA 1.0 1.8 3.5 297 213 A 33 GLY H A 32 TYR HA 1.0 1.8 2.9 298 214 A 32 TYR HA A 34 ASP H 1.0 1.8 3.5 299 215 A 32 TYR H A 32 TYR HBx 1.0 1.8 3.5 300 215 A 32 TYR H A 32 TYR HBy 1.0 1.8 3.5 301 216 A 32 TYR H A 32 TYR HD% 1.0 1.8 7.0 302 217 A 32 TYR H A 32 TYR HE% 1.0 1.8 7.0 303 218 A 33 GLY H A 33 GLY HAx 1.0 1.8 4.1 304 218 A 33 GLY H A 33 GLY HAy 1.0 1.8 4.1 305 219 A 34 ASP H A 33 GLY HAx 1.0 1.8 4.5 306 219 A 34 ASP H A 33 GLY HAy 1.0 1.8 4.5 307 220 A 33 GLY H A 34 ASP H 1.0 1.8 2.9 308 221 A 34 ASP HA A 112 LYS H 1.0 1.8 3.5 309 222 A 34 ASP H A 34 ASP HA 1.0 1.8 3.5 310 223 A 34 ASP HA A 35 PHE H 1.0 1.8 2.9 311 224 A 34 ASP H A 34 ASP HBy 1.0 1.8 3.5 312 224 A 34 ASP H A 34 ASP HBx 1.0 1.8 3.5 313 225 A 35 PHE H A 34 ASP HBy 1.0 1.8 6.0 314 225 A 35 PHE H A 34 ASP HBx 1.0 1.8 6.0 315 226 A 34 ASP H A 35 PHE H 1.0 1.8 5.0 316 227 A 35 PHE H A 35 PHE HA 1.0 1.8 5.0 317 228 A 35 PHE HA A 36 PHE H 1.0 1.8 3.5 318 229 A 35 PHE H A 35 PHE HBx 1.0 1.8 4.1 319 229 A 35 PHE H A 35 PHE HBy 1.0 1.8 4.1 320 230 A 35 PHE H A 35 PHE HD% 1.0 1.8 7.0 321 231 A 35 PHE H A 113 TYR HA 1.0 1.8 5.0 322 232 A 35 PHE H A 114 LYS H 1.0 1.8 5.0 323 233 A 114 LYS H A 36 PHE HA 1.0 1.8 3.5 324 234 A 36 PHE H A 36 PHE HA 1.0 1.8 5.0 325 235 A 36 PHE HA A 37 THR H 1.0 1.8 2.9 326 236 A 36 PHE H A 36 PHE HBx 1.0 1.8 5.6 327 236 A 36 PHE H A 36 PHE HBy 1.0 1.8 5.6 328 237 A 36 PHE H A 36 PHE HD% 1.0 1.8 7.0 329 238 A 37 THR H A 36 PHE HD% 1.0 1.8 7.0 330 239 A 36 PHE H A 41 TYR HE% 1.0 1.8 7.0 331 240 A 37 THR H A 37 THR HA 1.0 1.8 3.5 332 241 A 37 THR HA A 38 GLY H 1.0 1.8 5.0 333 242 A 37 THR HA A 63 GLY H 1.0 1.8 5.0 334 243 A 37 THR HA A 64 ASN H 1.0 1.8 3.5 335 244 A 37 THR H A 37 THR HB 1.0 1.8 5.0 336 245 A 64 ASN H A 37 THR HB 1.0 1.8 3.5 337 246 A 37 THR HB A 65 GLU H 1.0 1.8 5.0 338 247 A 114 LYS H A 37 THR HG2% 1.0 1.8 5.0 339 248 A 37 THR H A 37 THR HG2% 1.0 1.8 4.4 340 249 A 38 GLY H A 37 THR HG2% 1.0 1.8 6.5 341 250 A 64 ASN H A 37 THR HG2% 1.0 1.8 5.0 342 251 A 65 GLU H A 37 THR HG2% 1.0 1.8 6.5 343 252 A 114 LYS H A 37 THR H 1.0 1.8 5.0 344 253 A 37 THR H A 115 LYS HA 1.0 1.8 5.0 345 254 A 37 THR H A 116 GLY H 1.0 1.8 5.0 346 255 A 37 THR H A 38 GLY H 1.0 1.8 5.0 347 256 A 38 GLY H A 38 GLY HAy 1.0 1.8 4.1 348 256 A 38 GLY H A 38 GLY HAx 1.0 1.8 4.1 349 257 A 39 ASP H A 38 GLY HAy 1.0 1.8 4.5 350 257 A 38 GLY HAx A 39 ASP H 1.0 1.8 4.5 351 258 A 65 GLU H A 38 GLY HAy 1.0 1.8 6.0 352 258 A 65 GLU H A 38 GLY HAx 1.0 1.8 6.0 353 259 A 66 CYS H A 38 GLY HAy 1.0 1.8 6.0 354 259 A 38 GLY HAx A 66 CYS H 1.0 1.8 6.0 355 260 A 38 GLY H A 39 ASP H 1.0 1.8 2.9 356 261 A 39 ASP H A 39 ASP HA 1.0 1.8 2.9 357 262 A 39 ASP HA A 40 ALA H 1.0 1.8 2.9 358 263 A 39 ASP H A 39 ASP HBy 1.0 1.8 3.5 359 263 A 39 ASP H A 39 ASP HBx 1.0 1.8 3.5 360 264 A 40 ALA H A 39 ASP HBy 1.0 1.8 4.5 361 264 A 40 ALA H A 39 ASP HBx 1.0 1.8 4.5 362 265 A 39 ASP H A 40 ALA H 1.0 1.8 5.0 363 266 A 40 ALA H A 40 ALA HA 1.0 1.8 5.0 364 267 A 40 ALA HA A 41 TYR H 1.0 1.8 2.9 365 268 A 63 GLY H A 40 ALA HA 1.0 1.8 5.0 366 269 A 40 ALA H A 40 ALA HB% 1.0 1.8 4.0 367 270 A 41 TYR H A 40 ALA HB% 1.0 1.8 4.4 368 271 A 63 GLY H A 40 ALA HB% 1.0 1.8 6.5 369 272 A 40 ALA HB% A 71 SER H 1.0 1.8 6.5 370 273 A 41 TYR HA A 41 TYR H 1.0 1.8 5.0 371 274 A 42 VAL H A 41 TYR HA 1.0 1.8 2.9 372 275 A 41 TYR H A 41 TYR HBx 1.0 1.8 5.6 373 275 A 41 TYR H A 41 TYR HBy 1.0 1.8 5.6 374 276 A 42 VAL H A 41 TYR HBx 1.0 1.8 4.5 375 276 A 42 VAL H A 41 TYR HBy 1.0 1.8 4.5 376 277 A 41 TYR H A 41 TYR HD% 1.0 1.8 7.0 377 278 A 42 VAL H A 41 TYR H 1.0 1.8 5.0 378 279 A 41 TYR H A 61 TRP HE3 1.0 1.8 5.0 379 280 A 41 TYR H A 61 TRP H 1.0 1.8 3.5 380 281 A 42 VAL H A 42 VAL HA 1.0 1.8 3.5 381 282 A 42 VAL HA A 43 ILE H 1.0 1.8 2.9 382 283 A 61 TRP H A 42 VAL HA 1.0 1.8 3.5 383 284 A 42 VAL H A 42 VAL HB 1.0 1.8 2.9 384 285 A 42 VAL H A 42 VAL HGx% 1.0 1.8 5.2 385 285 A 42 VAL H A 42 VAL HG21 1.0 1.8 5.2 386 286 A 43 ILE H A 42 VAL HGx% 1.0 1.8 5.3 387 286 A 43 ILE H A 42 VAL HG21 1.0 1.8 5.3 388 287 A 61 TRP H A 42 VAL HGx% 1.0 1.8 7.4 389 287 A 61 TRP H A 42 VAL HG21 1.0 1.8 7.4 390 288 A 77 PHE H A 42 VAL HGx% 1.0 1.8 7.4 391 288 A 42 VAL HG21 A 77 PHE H 1.0 1.8 7.4 392 289 A 78 THR H A 42 VAL HGx% 1.0 1.8 5.9 393 289 A 42 VAL HG21 A 78 THR H 1.0 1.8 5.9 394 290 A 42 VAL H A 43 ILE HD1% 1.0 1.8 5.0 395 291 A 42 VAL H A 43 ILE H 1.0 1.8 5.0 396 292 A 43 ILE HA A 43 ILE H 1.0 1.8 5.0 397 293 A 44 LEU H A 43 ILE HA 1.0 1.8 2.9 398 294 A 43 ILE H A 43 ILE HB 1.0 1.8 3.5 399 295 A 43 ILE HB A 59 HIS H 1.0 1.8 3.5 400 296 A 43 ILE H A 43 ILE HD1% 1.0 1.8 4.4 401 297 A 61 TRP H A 43 ILE HD1% 1.0 1.8 5.0 402 298 A 43 ILE H A 43 ILE HG2% 1.0 1.8 6.5 403 299 A 44 LEU H A 43 ILE HG2% 1.0 1.8 5.0 404 300 A 43 ILE H A 59 HIS HBy 1.0 1.8 6.0 405 300 A 43 ILE H A 59 HIS HBx 1.0 1.8 6.0 406 301 A 43 ILE H A 59 HIS H 1.0 1.8 3.5 407 302 A 43 ILE H A 60 TYR HA 1.0 1.8 5.0 408 303 A 61 TRP H A 43 ILE H 1.0 1.8 5.0 409 304 A 44 LEU H A 44 LEU HA 1.0 1.8 3.5 410 305 A 45 LYS H A 44 LEU HA 1.0 1.8 2.9 411 306 A 44 LEU H A 44 LEU HBx 1.0 1.8 4.1 412 306 A 44 LEU H A 44 LEU HBy 1.0 1.8 4.1 413 307 A 44 LEU H A 44 LEU HDx% 1.0 1.8 6.7 414 307 A 44 LEU HDy% A 44 LEU H 1.0 1.8 6.7 415 308 A 45 LYS H A 44 LEU HDx% 1.0 1.8 5.3 416 308 A 44 LEU HDy% A 45 LYS H 1.0 1.8 5.3 417 309 A 56 TYR H A 44 LEU HDx% 1.0 1.8 7.4 418 309 A 44 LEU HDy% A 56 TYR H 1.0 1.8 7.4 419 310 A 57 ASP H A 44 LEU HDx% 1.0 1.8 5.9 420 310 A 44 LEU HDy% A 57 ASP H 1.0 1.8 5.9 421 311 A 58 LEU H A 44 LEU HDx% 1.0 1.8 7.4 422 311 A 44 LEU HDy% A 58 LEU H 1.0 1.8 7.4 423 312 A 59 HIS H A 44 LEU HDx% 1.0 1.8 7.4 424 312 A 44 LEU HDy% A 59 HIS H 1.0 1.8 7.4 425 313 A 44 LEU H A 44 LEU HG 1.0 1.8 5.0 426 314 A 45 LYS HA A 45 LYS H 1.0 1.8 5.0 427 315 A 46 THR H A 45 LYS HA 1.0 1.8 2.9 428 316 A 45 LYS H A 45 LYS HBy 1.0 1.8 4.1 429 316 A 45 LYS H A 45 LYS HBx 1.0 1.8 4.1 430 317 A 46 THR H A 45 LYS HBy 1.0 1.8 6.0 431 317 A 46 THR H A 45 LYS HBx 1.0 1.8 6.0 432 318 A 57 ASP H A 45 LYS HBy 1.0 1.8 6.0 433 318 A 57 ASP H A 45 LYS HBx 1.0 1.8 6.0 434 319 A 45 LYS H A 45 LYS HGx 1.0 1.8 4.5 435 319 A 45 LYS H A 45 LYS HGy 1.0 1.8 4.5 436 320 A 46 THR H A 45 LYS HGx 1.0 1.8 6.0 437 320 A 46 THR H A 45 LYS HGy 1.0 1.8 6.0 438 321 A 45 LYS H A 56 TYR HA 1.0 1.8 5.0 439 322 A 45 LYS H A 57 ASP H 1.0 1.8 3.5 440 323 A 45 LYS H A 58 LEU HA 1.0 1.8 2.9 441 324 A 46 THR H A 46 THR HA 1.0 1.8 3.5 442 325 A 46 THR HA A 47 VAL H 1.0 1.8 2.9 443 326 A 46 THR HA A 55 GLN H 1.0 1.8 5.0 444 327 A 46 THR HA A 57 ASP H 1.0 1.8 5.0 445 328 A 46 THR H A 46 THR HB 1.0 1.8 3.5 446 329 A 46 THR HB A 47 VAL H 1.0 1.8 5.0 447 330 A 46 THR HG2% A 46 THR H 1.0 1.8 6.5 448 331 A 46 THR HG2% A 47 VAL H 1.0 1.8 4.4 449 332 A 47 VAL H A 47 VAL HA 1.0 1.8 3.5 450 333 A 47 VAL HA A 48 GLN H 1.0 1.8 2.9 451 334 A 47 VAL H A 47 VAL HB 1.0 1.8 2.9 452 335 A 48 GLN H A 47 VAL HB 1.0 1.8 2.9 453 336 A 55 GLN H A 47 VAL HB 1.0 1.8 3.5 454 337 A 47 VAL H A 47 VAL HGx% 1.0 1.8 4.6 455 337 A 47 VAL H A 47 VAL HG21 1.0 1.8 4.6 456 338 A 55 GLN H A 47 VAL HGx% 1.0 1.8 5.9 457 338 A 55 GLN H A 47 VAL HG21 1.0 1.8 5.9 458 339 A 47 VAL H A 48 GLN H 1.0 1.8 5.0 459 340 A 47 VAL H A 55 GLN H 1.0 1.8 2.9 460 341 A 56 TYR HA A 47 VAL H 1.0 1.8 5.0 461 342 A 48 GLN H A 48 GLN HA 1.0 1.8 3.5 462 343 A 48 GLN HA A 49 LEU H 1.0 1.8 2.9 463 344 A 55 GLN H A 48 GLN HA 1.0 1.8 3.5 464 345 A 48 GLN H A 48 GLN HBy 1.0 1.8 3.5 465 345 A 48 GLN H A 48 GLN HBx 1.0 1.8 3.5 466 346 A 49 LEU H A 48 GLN HBy 1.0 1.8 4.5 467 346 A 49 LEU H A 48 GLN HBx 1.0 1.8 4.5 468 347 A 48 GLN HE2y A 52 GLY HAy 1.0 1.8 6.0 469 347 A 48 GLN HE2y A 52 GLY HAx 1.0 1.8 6.0 470 348 A 48 GLN H A 48 GLN HGx 1.0 1.8 4.5 471 348 A 48 GLN H A 48 GLN HGy 1.0 1.8 4.5 472 349 A 49 LEU H A 48 GLN HGx 1.0 1.8 4.5 473 349 A 49 LEU H A 48 GLN HGy 1.0 1.8 4.5 474 350 A 52 GLY H A 48 GLN HGx 1.0 1.8 6.0 475 350 A 48 GLN HGy A 52 GLY H 1.0 1.8 6.0 476 351 A 48 GLN H A 54 LEU HDx% 1.0 1.8 5.9 477 351 A 54 LEU HDy% A 48 GLN H 1.0 1.8 5.9 478 352 A 49 LEU H A 49 LEU HA 1.0 1.8 3.5 479 353 A 49 LEU H A 49 LEU HBx 1.0 1.8 3.5 480 353 A 49 LEU H A 49 LEU HBy 1.0 1.8 3.5 481 354 A 53 ASN H A 49 LEU HBx 1.0 1.8 6.0 482 354 A 49 LEU HBy A 53 ASN H 1.0 1.8 6.0 483 355 A 49 LEU H A 49 LEU HDx% 1.0 1.8 5.2 484 355 A 49 LEU H A 49 LEU HDy% 1.0 1.8 5.2 485 356 A 53 ASN H A 49 LEU HDx% 1.0 1.8 5.9 486 356 A 53 ASN H A 49 LEU HDy% 1.0 1.8 5.9 487 357 A 49 LEU H A 49 LEU HG 1.0 1.8 2.9 488 358 A 55 GLN H A 49 LEU HG 1.0 1.8 5.0 489 359 A 49 LEU H A 52 GLY H 1.0 1.8 5.0 490 360 A 49 LEU H A 53 ASN H 1.0 1.8 3.5 491 361 A 49 LEU H A 54 LEU HA 1.0 1.8 3.5 492 362 A 49 LEU H A 54 LEU HDx% 1.0 1.8 5.9 493 362 A 54 LEU HDy% A 49 LEU H 1.0 1.8 5.9 494 363 A 52 GLY H A 50 ARG HA 1.0 1.8 5.0 495 364 A 52 GLY H A 51 ASN HA 1.0 1.8 3.5 496 365 A 52 GLY H A 52 GLY HAy 1.0 1.8 3.5 497 365 A 52 GLY HAx A 52 GLY H 1.0 1.8 3.5 498 366 A 53 ASN H A 52 GLY HAy 1.0 1.8 4.5 499 366 A 52 GLY HAx A 53 ASN H 1.0 1.8 4.5 500 367 A 52 GLY H A 53 ASN H 1.0 1.8 2.9 501 368 A 53 ASN H A 53 ASN HA 1.0 1.8 2.9 502 369 A 53 ASN HA A 54 LEU H 1.0 1.8 2.9 503 370 A 53 ASN H A 53 ASN HBy 1.0 1.8 3.5 504 370 A 53 ASN H A 53 ASN HBx 1.0 1.8 3.5 505 371 A 54 LEU H A 53 ASN HBy 1.0 1.8 3.9 506 371 A 54 LEU H A 53 ASN HBx 1.0 1.8 3.9 507 372 A 53 ASN H A 54 LEU H 1.0 1.8 3.5 508 373 A 54 LEU HA A 54 LEU H 1.0 1.8 2.9 509 374 A 55 GLN H A 54 LEU HA 1.0 1.8 2.9 510 375 A 54 LEU H A 54 LEU HBy 1.0 1.8 3.5 511 375 A 54 LEU H A 54 LEU HBx 1.0 1.8 3.5 512 376 A 55 GLN H A 54 LEU HBy 1.0 1.8 4.5 513 376 A 55 GLN H A 54 LEU HBx 1.0 1.8 4.5 514 377 A 54 LEU H A 54 LEU HDx% 1.0 1.8 4.6 515 377 A 54 LEU HDy% A 54 LEU H 1.0 1.8 4.6 516 378 A 55 GLN H A 54 LEU HDx% 1.0 1.8 5.3 517 378 A 54 LEU HDy% A 55 GLN H 1.0 1.8 5.3 518 379 A 54 LEU H A 54 LEU HG 1.0 1.8 2.9 519 380 A 55 GLN H A 54 LEU H 1.0 1.8 3.5 520 381 A 55 GLN H A 55 GLN HA 1.0 1.8 2.9 521 382 A 56 TYR H A 55 GLN HA 1.0 1.8 2.9 522 383 A 55 GLN H A 55 GLN HBx 1.0 1.8 3.5 523 383 A 55 GLN H A 55 GLN HBy 1.0 1.8 3.5 524 384 A 56 TYR H A 55 GLN HBx 1.0 1.8 4.5 525 384 A 56 TYR H A 55 GLN HBy 1.0 1.8 4.5 526 385 A 55 GLN H A 55 GLN HGx 1.0 1.8 4.5 527 385 A 55 GLN H A 55 GLN HGy 1.0 1.8 4.5 528 386 A 56 TYR H A 55 GLN HGx 1.0 1.8 3.9 529 386 A 56 TYR H A 55 GLN HGy 1.0 1.8 3.9 530 387 A 56 TYR H A 56 TYR HA 1.0 1.8 3.5 531 388 A 57 ASP H A 56 TYR HA 1.0 1.8 2.9 532 389 A 56 TYR H A 56 TYR HBx 1.0 1.8 4.1 533 389 A 56 TYR H A 56 TYR HBy 1.0 1.8 4.1 534 390 A 57 ASP H A 56 TYR HBx 1.0 1.8 6.0 535 390 A 57 ASP H A 56 TYR HBy 1.0 1.8 6.0 536 391 A 56 TYR H A 56 TYR HD% 1.0 1.8 5.5 537 392 A 57 ASP H A 56 TYR HD% 1.0 1.8 5.5 538 393 A 56 TYR HE% A 56 TYR H 1.0 1.8 7.0 539 394 A 56 TYR H A 89 ALA HA 1.0 1.8 5.0 540 395 A 56 TYR H A 89 ALA HB% 1.0 1.8 5.0 541 396 A 57 ASP H A 57 ASP HA 1.0 1.8 3.5 542 397 A 58 LEU H A 57 ASP HA 1.0 1.8 2.9 543 398 A 57 ASP HA A 90 VAL H 1.0 1.8 3.5 544 399 A 57 ASP H A 57 ASP HBx 1.0 1.8 4.1 545 399 A 57 ASP H A 57 ASP HBy 1.0 1.8 4.1 546 400 A 58 LEU H A 57 ASP HBx 1.0 1.8 6.0 547 400 A 58 LEU H A 57 ASP HBy 1.0 1.8 6.0 548 401 A 58 LEU H A 58 LEU HA 1.0 1.8 5.0 549 402 A 59 HIS H A 58 LEU HA 1.0 1.8 2.9 550 403 A 58 LEU H A 58 LEU HBy 1.0 1.8 4.1 551 403 A 58 LEU H A 58 LEU HBx 1.0 1.8 4.1 552 404 A 58 LEU H A 58 LEU HDx% 1.0 1.8 6.7 553 404 A 58 LEU H A 58 LEU HDy% 1.0 1.8 6.7 554 405 A 59 HIS H A 58 LEU HDx% 1.0 1.8 5.9 555 405 A 59 HIS H A 58 LEU HDy% 1.0 1.8 5.9 556 406 A 58 LEU H A 89 ALA HB% 1.0 1.8 5.0 557 407 A 58 LEU H A 90 VAL HB 1.0 1.8 5.0 558 408 A 58 LEU H A 90 VAL H 1.0 1.8 3.5 559 409 A 58 LEU H A 91 GLN HA 1.0 1.8 5.0 560 410 A 58 LEU H A 92 HIS HD2 1.0 1.8 3.5 561 411 A 58 LEU H A 92 HIS H 1.0 1.8 5.0 562 412 A 59 HIS H A 59 HIS HA 1.0 1.8 5.0 563 413 A 59 HIS HA A 60 TYR H 1.0 1.8 2.9 564 414 A 92 HIS H A 59 HIS HA 1.0 1.8 2.9 565 415 A 59 HIS H A 59 HIS HBy 1.0 1.8 5.6 566 415 A 59 HIS H A 59 HIS HBx 1.0 1.8 5.6 567 416 A 60 TYR H A 59 HIS HBy 1.0 1.8 4.5 568 416 A 59 HIS HBx A 60 TYR H 1.0 1.8 4.5 569 417 A 59 HIS H A 59 HIS HD2 1.0 1.8 3.5 570 418 A 60 TYR HA A 60 TYR H 1.0 1.8 3.5 571 419 A 61 TRP H A 60 TYR HA 1.0 1.8 2.9 572 420 A 60 TYR H A 60 TYR HBx 1.0 1.8 5.6 573 420 A 60 TYR H A 60 TYR HBy 1.0 1.8 5.6 574 421 A 61 TRP H A 60 TYR HBx 1.0 1.8 4.5 575 421 A 61 TRP H A 60 TYR HBy 1.0 1.8 4.5 576 422 A 60 TYR H A 60 TYR HD% 1.0 1.8 5.5 577 423 A 61 TRP H A 60 TYR HD% 1.0 1.8 7.0 578 424 A 60 TYR H A 60 TYR HE% 1.0 1.8 7.0 579 425 A 60 TYR H A 78 THR HG2% 1.0 1.8 6.5 580 426 A 60 TYR H A 92 HIS HBx 1.0 1.8 6.0 581 426 A 60 TYR H A 92 HIS HBy 1.0 1.8 6.0 582 427 A 92 HIS H A 60 TYR H 1.0 1.8 3.5 583 428 A 60 TYR H A 93 ARG HA 1.0 1.8 3.5 584 429 A 60 TYR H A 94 GLU H 1.0 1.8 3.5 585 430 A 61 TRP H A 61 TRP HA 1.0 1.8 5.0 586 431 A 61 TRP HA A 62 LEU H 1.0 1.8 2.9 587 432 A 94 GLU H A 61 TRP HA 1.0 1.8 3.5 588 433 A 61 TRP H A 61 TRP HBy 1.0 1.8 5.6 589 433 A 61 TRP H A 61 TRP HBx 1.0 1.8 5.6 590 434 A 61 TRP HD1 A 61 TRP HE1 1.0 1.8 3.5 591 435 A 61 TRP HE1 A 113 TYR HE% 1.0 1.8 7.0 592 436 A 61 TRP HE1 A 96 GLN HA 1.0 1.8 5.0 593 437 A 61 TRP HE1 A 97 GLY H 1.0 1.8 5.0 594 438 A 61 TRP HE1 A 99 GLU HGx 1.0 1.8 6.0 595 438 A 61 TRP HE1 A 99 GLU HGy 1.0 1.8 6.0 596 439 A 61 TRP HE1 A 99 GLU H 1.0 1.8 5.0 597 440 A 61 TRP H A 74 ALA HB% 1.0 1.8 6.5 598 441 A 62 LEU H A 62 LEU HA 1.0 1.8 3.5 599 442 A 63 GLY H A 62 LEU HA 1.0 1.8 2.9 600 443 A 62 LEU H A 62 LEU HBy 1.0 1.8 4.1 601 443 A 62 LEU H A 62 LEU HBx 1.0 1.8 4.1 602 444 A 63 GLY H A 62 LEU HBy 1.0 1.8 6.0 603 444 A 63 GLY H A 62 LEU HBx 1.0 1.8 6.0 604 445 A 62 LEU H A 62 LEU HDx% 1.0 1.8 5.2 605 445 A 62 LEU H A 62 LEU HDy% 1.0 1.8 5.2 606 446 A 63 GLY H A 62 LEU HDx% 1.0 1.8 5.9 607 446 A 63 GLY H A 62 LEU HDy% 1.0 1.8 5.9 608 447 A 71 SER H A 62 LEU HDx% 1.0 1.8 7.4 609 447 A 71 SER H A 62 LEU HDy% 1.0 1.8 7.4 610 448 A 62 LEU H A 62 LEU HG 1.0 1.8 3.5 611 449 A 94 GLU H A 62 LEU H 1.0 1.8 5.0 612 450 A 62 LEU H A 95 VAL HA 1.0 1.8 3.5 613 451 A 62 LEU H A 95 VAL HGx% 1.0 1.8 7.4 614 451 A 62 LEU H A 95 VAL HGy% 1.0 1.8 7.4 615 452 A 62 LEU H A 96 GLN H 1.0 1.8 5.0 616 453 A 63 GLY H A 63 GLY HAy 1.0 1.8 4.1 617 453 A 63 GLY H A 63 GLY HAx 1.0 1.8 4.1 618 454 A 64 ASN H A 63 GLY HAy 1.0 1.8 3.9 619 454 A 64 ASN H A 63 GLY HAx 1.0 1.8 3.9 620 455 A 65 GLU H A 63 GLY HAy 1.0 1.8 6.0 621 455 A 65 GLU H A 63 GLY HAx 1.0 1.8 6.0 622 456 A 63 GLY H A 64 ASN H 1.0 1.8 5.0 623 457 A 63 GLY H A 66 CYS HBx 1.0 1.8 4.5 624 457 A 63 GLY H A 66 CYS HBy 1.0 1.8 4.5 625 458 A 64 ASN H A 64 ASN HA 1.0 1.8 2.9 626 459 A 65 GLU H A 64 ASN HA 1.0 1.8 3.5 627 460 A 66 CYS H A 64 ASN HA 1.0 1.8 3.5 628 461 A 64 ASN H A 64 ASN HBx 1.0 1.8 3.5 629 461 A 64 ASN H A 64 ASN HBy 1.0 1.8 3.5 630 462 A 65 GLU H A 64 ASN HBx 1.0 1.8 4.5 631 462 A 65 GLU H A 64 ASN HBy 1.0 1.8 4.5 632 463 A 64 ASN H A 65 GLU H 1.0 1.8 2.9 633 464 A 64 ASN H A 66 CYS H 1.0 1.8 5.0 634 465 A 64 ASN H A 96 GLN HBy 1.0 1.8 6.0 635 465 A 64 ASN H A 96 GLN HBx 1.0 1.8 6.0 636 466 A 64 ASN H A 96 GLN H 1.0 1.8 5.0 637 467 A 65 GLU H A 65 GLU HA 1.0 1.8 2.9 638 468 A 66 CYS H A 65 GLU HA 1.0 1.8 3.5 639 469 A 65 GLU H A 65 GLU HBx 1.0 1.8 3.5 640 469 A 65 GLU H A 65 GLU HBy 1.0 1.8 3.5 641 470 A 66 CYS H A 65 GLU HBx 1.0 1.8 6.0 642 470 A 66 CYS H A 65 GLU HBy 1.0 1.8 6.0 643 471 A 65 GLU H A 65 GLU HGx 1.0 1.8 3.9 644 471 A 65 GLU H A 65 GLU HGy 1.0 1.8 3.9 645 472 A 66 CYS H A 65 GLU HGx 1.0 1.8 4.5 646 472 A 66 CYS H A 65 GLU HGy 1.0 1.8 4.5 647 473 A 65 GLU H A 66 CYS HBx 1.0 1.8 4.5 648 473 A 65 GLU H A 66 CYS HBy 1.0 1.8 4.5 649 474 A 65 GLU H A 66 CYS H 1.0 1.8 2.9 650 475 A 66 CYS H A 66 CYS HA 1.0 1.8 2.9 651 476 A 66 CYS HA A 67 SER H 1.0 1.8 2.9 652 477 A 66 CYS H A 66 CYS HBx 1.0 1.8 3.5 653 477 A 66 CYS H A 66 CYS HBy 1.0 1.8 3.5 654 478 A 67 SER H A 66 CYS HBx 1.0 1.8 3.9 655 478 A 66 CYS HBy A 67 SER H 1.0 1.8 3.9 656 479 A 66 CYS H A 67 SER H 1.0 1.8 3.5 657 480 A 67 SER H A 67 SER HA 1.0 1.8 3.5 658 481 A 67 SER H A 67 SER HBy 1.0 1.8 3.5 659 481 A 67 SER H A 67 SER HBx 1.0 1.8 3.5 660 482 A 67 SER H A 70 GLU HBy 1.0 1.8 6.0 661 482 A 67 SER H A 70 GLU HBx 1.0 1.8 6.0 662 483 A 67 SER H A 70 GLU H 1.0 1.8 5.0 663 484 A 68 GLN HA A 72 GLY H 1.0 1.8 3.5 664 485 A 69 ASP H A 68 GLN HBx 1.0 1.8 6.0 665 485 A 68 GLN HBy A 69 ASP H 1.0 1.8 6.0 666 486 A 69 ASP H A 68 GLN HGy 1.0 1.8 6.0 667 486 A 69 ASP H A 68 GLN HGx 1.0 1.8 6.0 668 487 A 72 GLY H A 68 GLN HGy 1.0 1.8 6.0 669 487 A 72 GLY H A 68 GLN HGx 1.0 1.8 6.0 670 488 A 69 ASP H A 69 ASP HA 1.0 1.8 3.5 671 489 A 70 GLU H A 69 ASP HA 1.0 1.8 3.5 672 490 A 72 GLY H A 69 ASP HA 1.0 1.8 3.5 673 491 A 69 ASP H A 69 ASP HBx 1.0 1.8 4.1 674 491 A 69 ASP H A 69 ASP HBy 1.0 1.8 4.1 675 492 A 70 GLU H A 69 ASP HBx 1.0 1.8 3.9 676 492 A 70 GLU H A 69 ASP HBy 1.0 1.8 3.9 677 493 A 71 SER H A 69 ASP HBx 1.0 1.8 6.0 678 493 A 71 SER H A 69 ASP HBy 1.0 1.8 6.0 679 494 A 70 GLU H A 69 ASP H 1.0 1.8 3.5 680 495 A 70 GLU H A 70 GLU HA 1.0 1.8 2.9 681 496 A 71 SER H A 70 GLU HA 1.0 1.8 3.5 682 497 A 70 GLU HA A 73 ALA H 1.0 1.8 3.5 683 498 A 70 GLU H A 70 GLU HBy 1.0 1.8 4.1 684 498 A 70 GLU HBx A 70 GLU H 1.0 1.8 4.1 685 499 A 71 SER H A 70 GLU HBy 1.0 1.8 4.5 686 499 A 71 SER H A 70 GLU HBx 1.0 1.8 4.5 687 500 A 70 GLU H A 70 GLU HGx 1.0 1.8 4.5 688 500 A 70 GLU H A 70 GLU HGy 1.0 1.8 4.5 689 501 A 71 SER H A 70 GLU HGx 1.0 1.8 6.0 690 501 A 71 SER H A 70 GLU HGy 1.0 1.8 6.0 691 502 A 70 GLU H A 71 SER HBx 1.0 1.8 6.0 692 502 A 70 GLU H A 71 SER HBy 1.0 1.8 6.0 693 503 A 71 SER H A 70 GLU H 1.0 1.8 2.9 694 504 A 71 SER H A 71 SER HA 1.0 1.8 2.9 695 505 A 72 GLY H A 71 SER HA 1.0 1.8 3.5 696 506 A 71 SER HA A 74 ALA H 1.0 1.8 3.5 697 507 A 71 SER HA A 75 ALA H 1.0 1.8 5.0 698 508 A 71 SER H A 71 SER HBx 1.0 1.8 3.5 699 508 A 71 SER H A 71 SER HBy 1.0 1.8 3.5 700 509 A 72 GLY H A 71 SER HBx 1.0 1.8 3.9 701 509 A 72 GLY H A 71 SER HBy 1.0 1.8 3.9 702 510 A 71 SER H A 72 GLY H 1.0 1.8 2.9 703 511 A 71 SER H A 73 ALA H 1.0 1.8 5.0 704 512 A 72 GLY H A 72 GLY HAy 1.0 1.8 3.5 705 512 A 72 GLY H A 72 GLY HAx 1.0 1.8 3.5 706 513 A 73 ALA H A 72 GLY HAy 1.0 1.8 4.5 707 513 A 73 ALA H A 72 GLY HAx 1.0 1.8 4.5 708 514 A 75 ALA H A 72 GLY HAy 1.0 1.8 6.0 709 514 A 75 ALA H A 72 GLY HAx 1.0 1.8 6.0 710 515 A 72 GLY H A 73 ALA H 1.0 1.8 2.9 711 516 A 73 ALA H A 73 ALA HA 1.0 1.8 2.9 712 517 A 74 ALA H A 73 ALA HA 1.0 1.8 3.5 713 518 A 73 ALA HA A 76 ILE H 1.0 1.8 3.5 714 519 A 73 ALA H A 73 ALA HB% 1.0 1.8 4.0 715 520 A 73 ALA H A 74 ALA H 1.0 1.8 2.9 716 521 A 74 ALA H A 74 ALA HA 1.0 1.8 2.9 717 522 A 75 ALA H A 74 ALA HA 1.0 1.8 5.0 718 523 A 77 PHE H A 74 ALA HA 1.0 1.8 5.0 719 524 A 74 ALA HB% A 74 ALA H 1.0 1.8 4.0 720 525 A 74 ALA H A 75 ALA H 1.0 1.8 2.9 721 526 A 75 ALA H A 75 ALA HA 1.0 1.8 2.9 722 527 A 76 ILE H A 75 ALA HA 1.0 1.8 5.0 723 528 A 78 THR H A 75 ALA HA 1.0 1.8 3.5 724 529 A 75 ALA H A 75 ALA HB% 1.0 1.8 4.0 725 530 A 76 ILE H A 75 ALA HB% 1.0 1.8 4.4 726 531 A 77 PHE H A 75 ALA HB% 1.0 1.8 6.5 727 532 A 75 ALA H A 76 ILE H 1.0 1.8 2.9 728 533 A 76 ILE H A 76 ILE HA 1.0 1.8 2.9 729 534 A 76 ILE HA A 79 VAL H 1.0 1.8 3.5 730 535 A 76 ILE HA A 80 GLN H 1.0 1.8 5.0 731 536 A 76 ILE H A 76 ILE HB 1.0 1.8 2.9 732 537 A 77 PHE H A 76 ILE HB 1.0 1.8 2.9 733 538 A 76 ILE H A 76 ILE HD1% 1.0 1.8 5.0 734 539 A 76 ILE H A 76 ILE HG1y 1.0 1.8 3.5 735 540 A 76 ILE H A 76 ILE HG2% 1.0 1.8 4.4 736 541 A 77 PHE H A 76 ILE HG2% 1.0 1.8 5.0 737 542 A 77 PHE H A 76 ILE H 1.0 1.8 2.9 738 543 A 77 PHE H A 77 PHE HA 1.0 1.8 3.5 739 544 A 78 THR H A 77 PHE HA 1.0 1.8 5.0 740 545 A 80 GLN H A 77 PHE HA 1.0 1.8 3.5 741 546 A 77 PHE HA A 81 LEU H 1.0 1.8 5.0 742 547 A 77 PHE H A 77 PHE HBx 1.0 1.8 4.1 743 547 A 77 PHE H A 77 PHE HBy 1.0 1.8 4.1 744 548 A 78 THR H A 77 PHE HBx 1.0 1.8 6.0 745 548 A 78 THR H A 77 PHE HBy 1.0 1.8 6.0 746 549 A 77 PHE H A 78 THR H 1.0 1.8 2.9 747 550 A 78 THR H A 78 THR HA 1.0 1.8 3.5 748 551 A 79 VAL H A 78 THR HA 1.0 1.8 5.0 749 552 A 81 LEU H A 78 THR HA 1.0 1.8 5.0 750 553 A 78 THR H A 78 THR HB 1.0 1.8 2.9 751 554 A 78 THR H A 78 THR HG2% 1.0 1.8 4.4 752 555 A 78 THR HG2% A 79 VAL H 1.0 1.8 5.0 753 556 A 78 THR H A 79 VAL HGx% 1.0 1.8 5.9 754 556 A 78 THR H A 79 VAL HGy% 1.0 1.8 5.9 755 557 A 78 THR H A 79 VAL H 1.0 1.8 2.9 756 558 A 79 VAL H A 79 VAL HA 1.0 1.8 2.9 757 559 A 80 GLN H A 79 VAL HA 1.0 1.8 3.5 758 560 A 79 VAL HA A 82 ASP H 1.0 1.8 3.5 759 561 A 79 VAL H A 79 VAL HB 1.0 1.8 2.9 760 562 A 80 GLN H A 79 VAL HB 1.0 1.8 2.9 761 563 A 79 VAL H A 79 VAL HGx% 1.0 1.8 4.6 762 563 A 79 VAL H A 79 VAL HGy% 1.0 1.8 4.6 763 564 A 80 GLN H A 79 VAL HGx% 1.0 1.8 5.3 764 564 A 80 GLN H A 79 VAL HGy% 1.0 1.8 5.3 765 565 A 83 ASP H A 79 VAL HGx% 1.0 1.8 7.4 766 565 A 79 VAL HGy% A 83 ASP H 1.0 1.8 7.4 767 566 A 79 VAL H A 80 GLN H 1.0 1.8 2.9 768 567 A 80 GLN H A 80 GLN HA 1.0 1.8 2.9 769 568 A 81 LEU H A 80 GLN HA 1.0 1.8 5.0 770 569 A 83 ASP H A 80 GLN HA 1.0 1.8 3.5 771 570 A 80 GLN H A 80 GLN HBy 1.0 1.8 4.1 772 570 A 80 GLN H A 80 GLN HBx 1.0 1.8 4.1 773 571 A 81 LEU H A 80 GLN HBy 1.0 1.8 6.0 774 571 A 81 LEU H A 80 GLN HBx 1.0 1.8 6.0 775 572 A 80 GLN H A 80 GLN HGy 1.0 1.8 3.9 776 572 A 80 GLN H A 80 GLN HGx 1.0 1.8 3.9 777 573 A 80 GLN H A 81 LEU H 1.0 1.8 2.9 778 574 A 81 LEU H A 81 LEU HA 1.0 1.8 3.5 779 575 A 82 ASP H A 81 LEU HA 1.0 1.8 5.0 780 576 A 81 LEU HA A 84 TYR H 1.0 1.8 3.5 781 577 A 81 LEU H A 81 LEU HBy 1.0 1.8 3.5 782 577 A 81 LEU H A 81 LEU HBx 1.0 1.8 3.5 783 578 A 82 ASP H A 81 LEU HBy 1.0 1.8 4.5 784 578 A 82 ASP H A 81 LEU HBx 1.0 1.8 4.5 785 579 A 81 LEU H A 81 LEU HDx% 1.0 1.8 6.7 786 579 A 81 LEU H A 81 LEU HDy% 1.0 1.8 6.7 787 580 A 81 LEU H A 81 LEU HG 1.0 1.8 3.5 788 581 A 81 LEU H A 82 ASP H 1.0 1.8 2.9 789 582 A 82 ASP H A 82 ASP HA 1.0 1.8 2.9 790 583 A 83 ASP H A 82 ASP HA 1.0 1.8 5.0 791 584 A 82 ASP HA A 85 LEU H 1.0 1.8 2.9 792 585 A 82 ASP H A 82 ASP HBy 1.0 1.8 3.5 793 585 A 82 ASP H A 82 ASP HBx 1.0 1.8 3.5 794 586 A 83 ASP H A 82 ASP HBy 1.0 1.8 3.9 795 586 A 83 ASP H A 82 ASP HBx 1.0 1.8 3.9 796 587 A 83 ASP H A 83 ASP HA 1.0 1.8 2.9 797 588 A 84 TYR H A 83 ASP HA 1.0 1.8 3.5 798 589 A 83 ASP HA A 86 ASN H 1.0 1.8 3.5 799 590 A 83 ASP H A 83 ASP HBx 1.0 1.8 3.5 800 590 A 83 ASP H A 83 ASP HBy 1.0 1.8 3.5 801 591 A 84 TYR H A 83 ASP HBx 1.0 1.8 4.5 802 591 A 84 TYR H A 83 ASP HBy 1.0 1.8 4.5 803 592 A 83 ASP H A 84 TYR H 1.0 1.8 3.5 804 593 A 84 TYR H A 84 TYR HA 1.0 1.8 2.9 805 594 A 85 LEU H A 84 TYR HA 1.0 1.8 3.5 806 595 A 86 ASN H A 84 TYR HA 1.0 1.8 5.0 807 596 A 84 TYR H A 84 TYR HBx 1.0 1.8 3.5 808 596 A 84 TYR H A 84 TYR HBy 1.0 1.8 3.5 809 597 A 85 LEU H A 84 TYR HBx 1.0 1.8 4.5 810 597 A 85 LEU H A 84 TYR HBy 1.0 1.8 4.5 811 598 A 84 TYR H A 84 TYR HD% 1.0 1.8 5.5 812 599 A 84 TYR H A 85 LEU H 1.0 1.8 2.9 813 600 A 85 LEU H A 85 LEU HA 1.0 1.8 2.9 814 601 A 86 ASN H A 85 LEU HA 1.0 1.8 2.9 815 602 A 85 LEU H A 85 LEU HBx 1.0 1.8 4.1 816 602 A 85 LEU H A 85 LEU HBy 1.0 1.8 4.1 817 603 A 85 LEU H A 85 LEU HDx% 1.0 1.8 5.2 818 603 A 85 LEU H A 85 LEU HDy% 1.0 1.8 5.2 819 604 A 85 LEU H A 87 GLY H 1.0 1.8 5.0 820 605 A 86 ASN H A 86 ASN HA 1.0 1.8 2.9 821 606 A 87 GLY H A 86 ASN HA 1.0 1.8 2.9 822 607 A 86 ASN H A 86 ASN HBy 1.0 1.8 3.5 823 607 A 86 ASN H A 86 ASN HBx 1.0 1.8 3.5 824 608 A 86 ASN H A 87 GLY H 1.0 1.8 2.9 825 609 A 87 GLY H A 87 GLY HAx 1.0 1.8 3.5 826 609 A 87 GLY H A 87 GLY HAy 1.0 1.8 3.5 827 610 A 88 ARG H A 87 GLY HAx 1.0 1.8 4.5 828 610 A 87 GLY HAy A 88 ARG H 1.0 1.8 4.5 829 611 A 87 GLY H A 88 ARG H 1.0 1.8 3.5 830 612 A 88 ARG H A 88 ARG HA 1.0 1.8 2.9 831 613 A 88 ARG HA A 89 ALA H 1.0 1.8 2.9 832 614 A 88 ARG H A 88 ARG HBx 1.0 1.8 4.1 833 614 A 88 ARG H A 88 ARG HBy 1.0 1.8 4.1 834 615 A 89 ALA H A 88 ARG HBx 1.0 1.8 6.0 835 615 A 89 ALA H A 88 ARG HBy 1.0 1.8 6.0 836 616 A 88 ARG H A 88 ARG HGx 1.0 1.8 4.5 837 616 A 88 ARG H A 88 ARG HGy 1.0 1.8 4.5 838 617 A 89 ALA H A 88 ARG HGx 1.0 1.8 6.0 839 617 A 89 ALA H A 88 ARG HGy 1.0 1.8 6.0 840 618 A 88 ARG H A 89 ALA H 1.0 1.8 2.9 841 619 A 89 ALA HA A 89 ALA H 1.0 1.8 3.5 842 620 A 89 ALA HA A 90 VAL H 1.0 1.8 2.9 843 621 A 89 ALA HB% A 89 ALA H 1.0 1.8 4.0 844 622 A 89 ALA HB% A 90 VAL H 1.0 1.8 4.4 845 623 A 90 VAL H A 89 ALA H 1.0 1.8 5.0 846 624 A 90 VAL H A 90 VAL HA 1.0 1.8 3.5 847 625 A 90 VAL HA A 91 GLN H 1.0 1.8 2.9 848 626 A 90 VAL H A 90 VAL HB 1.0 1.8 2.9 849 627 A 90 VAL HB A 91 GLN H 1.0 1.8 5.0 850 628 A 90 VAL H A 90 VAL HGx% 1.0 1.8 4.6 851 628 A 90 VAL H A 90 VAL HGy% 1.0 1.8 4.6 852 629 A 91 GLN H A 90 VAL HGx% 1.0 1.8 5.3 853 629 A 91 GLN H A 90 VAL HGy% 1.0 1.8 5.3 854 630 A 90 VAL H A 91 GLN H 1.0 1.8 5.0 855 631 A 91 GLN HA A 91 GLN H 1.0 1.8 3.5 856 632 A 91 GLN HA A 92 HIS H 1.0 1.8 2.9 857 633 A 91 GLN H A 91 GLN HBx 1.0 1.8 3.5 858 633 A 91 GLN H A 91 GLN HBy 1.0 1.8 3.5 859 634 A 92 HIS H A 91 GLN HBx 1.0 1.8 4.5 860 634 A 92 HIS H A 91 GLN HBy 1.0 1.8 4.5 861 635 A 91 GLN H A 91 GLN HGx 1.0 1.8 4.5 862 635 A 91 GLN H A 91 GLN HGy 1.0 1.8 4.5 863 636 A 92 HIS H A 91 GLN HGx 1.0 1.8 6.0 864 636 A 92 HIS H A 91 GLN HGy 1.0 1.8 6.0 865 637 A 92 HIS H A 91 GLN H 1.0 1.8 5.0 866 638 A 92 HIS H A 92 HIS HA 1.0 1.8 3.5 867 639 A 92 HIS HA A 93 ARG H 1.0 1.8 2.9 868 640 A 92 HIS H A 92 HIS HBx 1.0 1.8 4.1 869 640 A 92 HIS H A 92 HIS HBy 1.0 1.8 4.1 870 641 A 93 ARG H A 92 HIS HBx 1.0 1.8 6.0 871 641 A 92 HIS HBy A 93 ARG H 1.0 1.8 6.0 872 642 A 92 HIS HD2 A 92 HIS H 1.0 1.8 3.5 873 643 A 92 HIS HE1 A 103 PHE H 1.0 1.8 5.0 874 644 A 93 ARG HA A 93 ARG H 1.0 1.8 5.0 875 645 A 93 ARG HA A 94 GLU H 1.0 1.8 2.9 876 646 A 93 ARG H A 93 ARG HBx 1.0 1.8 5.6 877 646 A 93 ARG H A 93 ARG HBy 1.0 1.8 5.6 878 647 A 94 GLU H A 93 ARG HBx 1.0 1.8 4.5 879 647 A 94 GLU H A 93 ARG HBy 1.0 1.8 4.5 880 648 A 94 GLU H A 93 ARG HGx 1.0 1.8 6.0 881 648 A 94 GLU H A 93 ARG HGy 1.0 1.8 6.0 882 649 A 94 GLU H A 94 GLU HA 1.0 1.8 3.5 883 650 A 94 GLU HA A 95 VAL H 1.0 1.8 2.9 884 651 A 94 GLU H A 94 GLU HGy 1.0 1.8 4.5 885 651 A 94 GLU H A 94 GLU HGx 1.0 1.8 4.5 886 652 A 94 GLU H A 95 VAL H 1.0 1.8 5.0 887 653 A 95 VAL HA A 95 VAL H 1.0 1.8 2.9 888 654 A 95 VAL HA A 96 GLN H 1.0 1.8 2.9 889 655 A 95 VAL H A 95 VAL HB 1.0 1.8 2.9 890 656 A 96 GLN H A 95 VAL HB 1.0 1.8 3.5 891 657 A 95 VAL H A 95 VAL HGx% 1.0 1.8 4.6 892 657 A 95 VAL HGy% A 95 VAL H 1.0 1.8 4.6 893 658 A 96 GLN H A 95 VAL HGx% 1.0 1.8 5.9 894 658 A 95 VAL HGy% A 96 GLN H 1.0 1.8 5.9 895 659 A 98 PHE H A 95 VAL HGx% 1.0 1.8 7.4 896 659 A 95 VAL HGy% A 98 PHE H 1.0 1.8 7.4 897 660 A 96 GLN H A 95 VAL H 1.0 1.8 5.0 898 661 A 95 VAL H A 99 GLU HA 1.0 1.8 3.5 899 662 A 96 GLN HA A 96 GLN H 1.0 1.8 3.5 900 663 A 96 GLN HA A 97 GLY H 1.0 1.8 2.9 901 664 A 96 GLN HA A 98 PHE H 1.0 1.8 3.5 902 665 A 96 GLN H A 96 GLN HBy 1.0 1.8 4.1 903 665 A 96 GLN H A 96 GLN HBx 1.0 1.8 4.1 904 666 A 97 GLY H A 96 GLN HBy 1.0 1.8 6.0 905 666 A 97 GLY H A 96 GLN HBx 1.0 1.8 6.0 906 667 A 96 GLN H A 96 GLN HGy 1.0 1.8 6.0 907 667 A 96 GLN H A 96 GLN HGx 1.0 1.8 6.0 908 668 A 97 GLY H A 96 GLN HGy 1.0 1.8 6.0 909 668 A 97 GLY H A 96 GLN HGx 1.0 1.8 6.0 910 669 A 97 GLY H A 96 GLN H 1.0 1.8 5.0 911 670 A 97 GLY H A 97 GLY HAy 1.0 1.8 3.5 912 670 A 97 GLY H A 97 GLY HAx 1.0 1.8 3.5 913 671 A 98 PHE H A 97 GLY HAy 1.0 1.8 4.5 914 671 A 98 PHE H A 97 GLY HAx 1.0 1.8 4.5 915 672 A 97 GLY H A 98 PHE H 1.0 1.8 2.9 916 673 A 97 GLY H A 99 GLU H 1.0 1.8 3.5 917 674 A 98 PHE H A 98 PHE HA 1.0 1.8 3.5 918 675 A 99 GLU H A 98 PHE HA 1.0 1.8 3.5 919 676 A 98 PHE H A 98 PHE HBy 1.0 1.8 4.1 920 676 A 98 PHE H A 98 PHE HBx 1.0 1.8 4.1 921 677 A 98 PHE H A 98 PHE HD% 1.0 1.8 5.5 922 678 A 99 GLU H A 98 PHE H 1.0 1.8 2.9 923 679 A 99 GLU HA A 100 SER H 1.0 1.8 2.9 924 680 A 99 GLU H A 99 GLU HA 1.0 1.8 3.5 925 681 A 100 SER H A 99 GLU HBy 1.0 1.8 6.0 926 681 A 100 SER H A 99 GLU HBx 1.0 1.8 6.0 927 682 A 99 GLU H A 99 GLU HBy 1.0 1.8 4.1 928 682 A 99 GLU H A 99 GLU HBx 1.0 1.8 4.1 929 683 A 100 SER H A 99 GLU HGx 1.0 1.8 6.0 930 683 A 99 GLU HGy A 100 SER H 1.0 1.8 6.0 931 684 A 99 GLU H A 99 GLU HGx 1.0 1.8 6.0 932 684 A 99 GLU HGy A 99 GLU H 1.0 1.8 6.0 933 685 A 99 GLU H A 100 SER H 1.0 1.8 5.0 934 686 A 99 GLU H A 104 LEU HDx% 1.0 1.8 7.4 935 686 A 99 GLU H A 104 LEU HDy% 1.0 1.8 7.4 936 687 A 100 SER H A 100 SER HA 1.0 1.8 3.5 937 688 A 100 SER HA A 101 ALA H 1.0 1.8 2.9 938 689 A 100 SER H A 100 SER HBy 1.0 1.8 4.1 939 689 A 100 SER H A 100 SER HBx 1.0 1.8 4.1 940 690 A 101 ALA H A 100 SER HBy 1.0 1.8 4.5 941 690 A 101 ALA H A 100 SER HBx 1.0 1.8 4.5 942 691 A 100 SER H A 101 ALA H 1.0 1.8 5.0 943 692 A 100 SER H A 103 PHE HD% 1.0 1.8 7.0 944 693 A 103 PHE H A 100 SER H 1.0 1.8 5.0 945 694 A 101 ALA H A 101 ALA HA 1.0 1.8 2.9 946 695 A 101 ALA HA A 104 LEU H 1.0 1.8 3.5 947 696 A 101 ALA HA A 105 GLY H 1.0 1.8 5.0 948 697 A 101 ALA H A 101 ALA HB% 1.0 1.8 4.0 949 698 A 101 ALA HB% A 102 THR H 1.0 1.8 5.0 950 699 A 101 ALA H A 102 THR H 1.0 1.8 3.5 951 700 A 102 THR H A 102 THR HA 1.0 1.8 3.5 952 701 A 103 PHE H A 102 THR HA 1.0 1.8 3.5 953 702 A 105 GLY H A 102 THR HA 1.0 1.8 5.0 954 703 A 102 THR H A 102 THR HB 1.0 1.8 3.5 955 704 A 103 PHE H A 102 THR HB 1.0 1.8 2.9 956 705 A 103 PHE H A 102 THR HG2% 1.0 1.8 5.0 957 706 A 103 PHE H A 102 THR H 1.0 1.8 3.5 958 707 A 103 PHE H A 103 PHE HA 1.0 1.8 3.5 959 708 A 104 LEU H A 103 PHE HA 1.0 1.8 5.0 960 709 A 103 PHE HA A 106 TYR H 1.0 1.8 5.0 961 710 A 103 PHE H A 103 PHE HBy 1.0 1.8 4.1 962 710 A 103 PHE H A 103 PHE HBx 1.0 1.8 4.1 963 711 A 103 PHE H A 103 PHE HD% 1.0 1.8 7.0 964 712 A 103 PHE HD% A 104 LEU H 1.0 1.8 7.0 965 713 A 103 PHE H A 104 LEU H 1.0 1.8 2.9 966 714 A 104 LEU H A 104 LEU HA 1.0 1.8 2.9 967 715 A 105 GLY H A 104 LEU HA 1.0 1.8 3.5 968 716 A 106 TYR H A 104 LEU HA 1.0 1.8 5.0 969 717 A 104 LEU HA A 107 PHE H 1.0 1.8 5.0 970 718 A 104 LEU H A 104 LEU HBx 1.0 1.8 4.1 971 718 A 104 LEU H A 104 LEU HBy 1.0 1.8 4.1 972 719 A 105 GLY H A 104 LEU HBx 1.0 1.8 4.5 973 719 A 105 GLY H A 104 LEU HBy 1.0 1.8 4.5 974 720 A 104 LEU H A 104 LEU HDx% 1.0 1.8 4.6 975 720 A 104 LEU HDy% A 104 LEU H 1.0 1.8 4.6 976 721 A 105 GLY H A 104 LEU HDx% 1.0 1.8 7.4 977 721 A 104 LEU HDy% A 105 GLY H 1.0 1.8 7.4 978 722 A 104 LEU H A 104 LEU HG 1.0 1.8 2.9 979 723 A 105 GLY H A 104 LEU HG 1.0 1.8 5.0 980 724 A 104 LEU H A 105 GLY H 1.0 1.8 2.9 981 725 A 104 LEU H A 106 TYR H 1.0 1.8 5.0 982 726 A 105 GLY H A 105 GLY HAx 1.0 1.8 3.5 983 726 A 105 GLY H A 105 GLY HAy 1.0 1.8 3.5 984 727 A 106 TYR H A 105 GLY HAx 1.0 1.8 4.5 985 727 A 106 TYR H A 105 GLY HAy 1.0 1.8 4.5 986 728 A 105 GLY H A 106 TYR H 1.0 1.8 2.9 987 729 A 105 GLY H A 107 PHE H 1.0 1.8 5.0 988 730 A 106 TYR H A 106 TYR HA 1.0 1.8 2.9 989 731 A 107 PHE H A 106 TYR HA 1.0 1.8 3.5 990 732 A 106 TYR H A 106 TYR HBx 1.0 1.8 4.1 991 732 A 106 TYR H A 106 TYR HBy 1.0 1.8 4.1 992 733 A 107 PHE H A 106 TYR HBx 1.0 1.8 6.0 993 733 A 107 PHE H A 106 TYR HBy 1.0 1.8 6.0 994 734 A 106 TYR H A 106 TYR HD% 1.0 1.8 5.5 995 735 A 107 PHE H A 106 TYR HD% 1.0 1.8 7.0 996 736 A 106 TYR H A 106 TYR HE% 1.0 1.8 7.0 997 737 A 106 TYR H A 107 PHE HD% 1.0 1.8 5.5 998 738 A 106 TYR H A 111 LEU HDx% 1.0 1.8 7.4 999 738 A 106 TYR H A 111 LEU HDy% 1.0 1.8 7.4 1000 739 A 107 PHE H A 107 PHE HA 1.0 1.8 2.9 1001 740 A 107 PHE H A 107 PHE HBx 1.0 1.8 3.5 1002 740 A 107 PHE H A 107 PHE HBy 1.0 1.8 3.5 1003 741 A 110 GLY H A 107 PHE HBx 1.0 1.8 6.0 1004 741 A 107 PHE HBy A 110 GLY H 1.0 1.8 6.0 1005 742 A 107 PHE H A 107 PHE HD% 1.0 1.8 5.5 1006 743 A 107 PHE H A 111 LEU HDx% 1.0 1.8 7.4 1007 743 A 107 PHE H A 111 LEU HDy% 1.0 1.8 7.4 1008 744 A 110 GLY H A 109 SER HA 1.0 1.8 3.5 1009 745 A 110 GLY H A 109 SER HBx 1.0 1.8 4.5 1010 745 A 110 GLY H A 109 SER HBy 1.0 1.8 4.5 1011 746 A 110 GLY H A 110 GLY HAy 1.0 1.8 3.5 1012 746 A 110 GLY H A 110 GLY HAx 1.0 1.8 3.5 1013 747 A 111 LEU H A 110 GLY HAy 1.0 1.8 3.9 1014 747 A 110 GLY HAx A 111 LEU H 1.0 1.8 3.9 1015 748 A 110 GLY H A 111 LEU H 1.0 1.8 3.5 1016 749 A 111 LEU H A 111 LEU HA 1.0 1.8 2.9 1017 750 A 112 LYS H A 111 LEU HA 1.0 1.8 2.9 1018 751 A 111 LEU H A 111 LEU HBy 1.0 1.8 3.5 1019 751 A 111 LEU H A 111 LEU HBx 1.0 1.8 3.5 1020 752 A 112 LYS H A 111 LEU HBy 1.0 1.8 4.5 1021 752 A 112 LYS H A 111 LEU HBx 1.0 1.8 4.5 1022 753 A 111 LEU H A 111 LEU HDx% 1.0 1.8 5.2 1023 753 A 111 LEU HDy% A 111 LEU H 1.0 1.8 5.2 1024 754 A 112 LYS H A 111 LEU HDx% 1.0 1.8 5.9 1025 754 A 112 LYS H A 111 LEU HDy% 1.0 1.8 5.9 1026 755 A 111 LEU H A 111 LEU HG 1.0 1.8 2.9 1027 756 A 112 LYS H A 111 LEU HG 1.0 1.8 5.0 1028 757 A 112 LYS H A 111 LEU H 1.0 1.8 5.0 1029 758 A 112 LYS H A 112 LYS HA 1.0 1.8 2.9 1030 759 A 112 LYS HA A 113 TYR H 1.0 1.8 2.9 1031 760 A 112 LYS H A 112 LYS HBx 1.0 1.8 4.1 1032 760 A 112 LYS H A 112 LYS HBy 1.0 1.8 4.1 1033 761 A 113 TYR H A 112 LYS HBx 1.0 1.8 4.5 1034 761 A 113 TYR H A 112 LYS HBy 1.0 1.8 4.5 1035 762 A 113 TYR H A 112 LYS HDx 1.0 1.8 6.0 1036 762 A 113 TYR H A 112 LYS HDy 1.0 1.8 6.0 1037 763 A 112 LYS H A 112 LYS HGx 1.0 1.8 4.5 1038 763 A 112 LYS H A 112 LYS HGy 1.0 1.8 4.5 1039 764 A 113 TYR H A 112 LYS HGx 1.0 1.8 4.5 1040 764 A 113 TYR H A 112 LYS HGy 1.0 1.8 4.5 1041 765 A 112 LYS H A 113 TYR H 1.0 1.8 5.0 1042 766 A 113 TYR HA A 113 TYR H 1.0 1.8 3.5 1043 767 A 113 TYR HA A 114 LYS H 1.0 1.8 2.9 1044 768 A 113 TYR H A 113 TYR HBx 1.0 1.8 4.1 1045 768 A 113 TYR H A 113 TYR HBy 1.0 1.8 4.1 1046 769 A 114 LYS H A 113 TYR HBx 1.0 1.8 6.0 1047 769 A 114 LYS H A 113 TYR HBy 1.0 1.8 6.0 1048 770 A 113 TYR H A 113 TYR HD% 1.0 1.8 5.5 1049 771 A 114 LYS H A 113 TYR HD% 1.0 1.8 5.5 1050 772 A 113 TYR HE% A 113 TYR H 1.0 1.8 7.0 1051 773 A 114 LYS H A 113 TYR H 1.0 1.8 5.0 1052 774 A 114 LYS H A 114 LYS HA 1.0 1.8 3.5 1053 775 A 114 LYS HA A 115 LYS H 1.0 1.8 2.9 1054 776 A 114 LYS H A 114 LYS HBx 1.0 1.8 4.1 1055 776 A 114 LYS H A 114 LYS HBy 1.0 1.8 4.1 1056 777 A 115 LYS H A 114 LYS HBx 1.0 1.8 4.5 1057 777 A 115 LYS H A 114 LYS HBy 1.0 1.8 4.5 1058 778 A 114 LYS H A 114 LYS HDx 1.0 1.8 6.0 1059 778 A 114 LYS H A 114 LYS HDy 1.0 1.8 6.0 1060 779 A 114 LYS H A 114 LYS HGx 1.0 1.8 6.0 1061 779 A 114 LYS H A 114 LYS HGy 1.0 1.8 6.0 1062 780 A 114 LYS H A 115 LYS H 1.0 1.8 5.0 1063 781 A 115 LYS HA A 115 LYS H 1.0 1.8 3.5 1064 782 A 115 LYS HA A 116 GLY H 1.0 1.8 2.9 1065 783 A 115 LYS H A 115 LYS HBx 1.0 1.8 3.5 1066 783 A 115 LYS H A 115 LYS HBy 1.0 1.8 3.5 1067 784 A 116 GLY H A 115 LYS HBx 1.0 1.8 6.0 1068 784 A 116 GLY H A 115 LYS HBy 1.0 1.8 6.0 1069 785 A 115 LYS H A 115 LYS HGx 1.0 1.8 4.5 1070 785 A 115 LYS H A 115 LYS HGy 1.0 1.8 4.5 1071 786 A 116 GLY H A 115 LYS HGx 1.0 1.8 6.0 1072 786 A 116 GLY H A 115 LYS HGy 1.0 1.8 6.0 1073 787 A 116 GLY H A 116 GLY HAy 1.0 1.8 5.6 1074 787 A 116 GLY H A 116 GLY HAx 1.0 1.8 5.6 1075 788 A 124 HIS HA A 125 VAL H 1.0 1.8 2.9 1076 789 A 125 VAL H A 124 HIS HBx 1.0 1.8 6.0 1077 789 A 125 VAL H A 124 HIS HBy 1.0 1.8 6.0 1078 790 A 125 VAL H A 125 VAL HA 1.0 1.8 3.5 1079 791 A 125 VAL H A 125 VAL HB 1.0 1.8 2.9 1080 792 A 125 VAL H A 125 VAL HGx% 1.0 1.8 5.2 1081 792 A 125 VAL H A 125 VAL HG21 1.0 1.8 5.2 1082 793 A 127 PRO HA A 128 ASN H 1.0 1.8 5.0 1083 794 A 128 ASN H A 128 ASN HA 1.0 1.8 5.0 1084 795 A 128 ASN HA A 129 GLU H 1.0 1.8 3.5 1085 796 A 129 GLU H A 128 ASN HBx 1.0 1.8 6.0 1086 796 A 129 GLU H A 128 ASN HBy 1.0 1.8 6.0 1087 797 A 129 GLU H A 129 GLU HA 1.0 1.8 3.5 1088 798 A 129 GLU HA A 130 VAL H 1.0 1.8 2.9 1089 799 A 129 GLU H A 129 GLU HBx 1.0 1.8 4.1 1090 799 A 129 GLU H A 129 GLU HBy 1.0 1.8 4.1 1091 800 A 130 VAL H A 129 GLU HBx 1.0 1.8 4.5 1092 800 A 130 VAL H A 129 GLU HBy 1.0 1.8 4.5 1093 801 A 129 GLU H A 129 GLU HGx 1.0 1.8 6.0 1094 801 A 129 GLU H A 129 GLU HGy 1.0 1.8 6.0 1095 802 A 130 VAL H A 129 GLU HGx 1.0 1.8 4.5 1096 802 A 130 VAL H A 129 GLU HGy 1.0 1.8 4.5 1097 803 A 130 VAL H A 130 VAL HA 1.0 1.8 2.9 1098 804 A 130 VAL H A 130 VAL HB 1.0 1.8 2.9 1099 805 A 130 VAL H A 130 VAL HGx% 1.0 1.8 4.6 1100 805 A 130 VAL H A 130 VAL HG21 1.0 1.8 4.6 1101 806 A 131 VAL HA A 131 VAL H 1.0 1.8 2.9 1102 807 A 131 VAL H A 131 VAL HB 1.0 1.8 2.9 1103 808 A 131 VAL H A 131 VAL HGx% 1.0 1.8 4.6 1104 808 A 131 VAL H A 131 VAL HG21 1.0 1.8 4.6 1105 809 A 132 VAL HA A 132 VAL H 1.0 1.8 2.9 1106 810 A 132 VAL HA A 133 GLN H 1.0 1.8 3.5 1107 811 A 132 VAL H A 132 VAL HB 1.0 1.8 2.9 1108 812 A 132 VAL H A 132 VAL HGx% 1.0 1.8 4.6 1109 812 A 132 VAL H A 132 VAL HG21 1.0 1.8 4.6 1110 813 A 133 GLN H A 133 GLN HA 1.0 1.8 5.0 1111 814 A 133 GLN H A 133 GLN HBx 1.0 1.8 5.6 1112 814 A 133 GLN H A 133 GLN HBy 1.0 1.8 5.6 1113 815 A 3 PRO HA A 6 LEU HDx% 1.0 1.8 5.1 1114 815 A 3 PRO HA A 6 LEU HDy% 1.0 1.8 5.1 1115 816 A 5 PHE HD% A 24 LEU HDx% 1.0 1.8 9.4 1116 816 A 5 PHE HD% A 24 LEU HDy% 1.0 1.8 9.4 1117 817 A 5 PHE HD% A 43 ILE HD1% 1.0 1.8 7.0 1118 818 A 5 PHE HE% A 24 LEU HDx% 1.0 1.8 7.9 1119 818 A 5 PHE HE% A 24 LEU HDy% 1.0 1.8 7.9 1120 819 A 5 PHE HE% A 43 ILE HD1% 1.0 1.8 7.0 1121 820 A 8 ALA HB% A 17 TRP HH2 1.0 1.8 5.0 1122 821 A 8 ALA HB% A 17 TRP HZ2 1.0 1.8 6.5 1123 822 A 8 ALA HB% A 44 LEU HDx% 1.0 1.8 6.6 1124 822 A 8 ALA HB% A 44 LEU HDy% 1.0 1.8 6.6 1125 823 A 8 ALA HB% A 81 LEU HDx% 1.0 1.8 6.6 1126 823 A 8 ALA HB% A 81 LEU HDy% 1.0 1.8 6.6 1127 824 A 9 GLY HAy A 44 LEU HDx% 1.0 1.8 6.9 1128 824 A 9 GLY HAx A 44 LEU HDx% 1.0 1.8 6.9 1129 824 A 44 LEU HDy% A 9 GLY HAy 1.0 1.8 6.9 1130 824 A 9 GLY HAx A 44 LEU HDy% 1.0 1.8 6.9 1131 825 A 46 THR HG2% A 12 PRO HA 1.0 1.8 4.2 1132 826 A 12 PRO HA A 54 LEU HDx% 1.0 1.8 7.4 1133 826 A 54 LEU HDy% A 12 PRO HA 1.0 1.8 7.4 1134 827 A 12 PRO HDy A 54 LEU HDx% 1.0 1.8 8.4 1135 827 A 54 LEU HDy% A 12 PRO HDx 1.0 1.8 8.4 1136 827 A 12 PRO HDy A 54 LEU HDy% 1.0 1.8 8.4 1137 827 A 12 PRO HDx A 54 LEU HDx% 1.0 1.8 8.4 1138 828 A 12 PRO HGy A 54 LEU HDx% 1.0 1.8 8.4 1139 828 A 12 PRO HGx A 54 LEU HDx% 1.0 1.8 8.4 1140 828 A 54 LEU HDy% A 12 PRO HGx 1.0 1.8 8.4 1141 828 A 54 LEU HDy% A 12 PRO HGy 1.0 1.8 8.4 1142 829 A 106 TYR HD% A 14 LEU HDx% 1.0 1.8 7.9 1143 829 A 14 LEU HDy% A 106 TYR HD% 1.0 1.8 7.9 1144 830 A 106 TYR HE% A 14 LEU HDx% 1.0 1.8 7.9 1145 830 A 14 LEU HDy% A 106 TYR HE% 1.0 1.8 7.9 1146 831 A 16 ILE HD1% A 14 LEU HDx% 1.0 1.8 6.6 1147 831 A 14 LEU HDy% A 16 ILE HD1% 1.0 1.8 6.6 1148 832 A 32 TYR HD% A 14 LEU HDx% 1.0 1.8 9.4 1149 832 A 14 LEU HDy% A 32 TYR HD% 1.0 1.8 9.4 1150 833 A 32 TYR HE% A 14 LEU HDx% 1.0 1.8 9.4 1151 833 A 14 LEU HDy% A 32 TYR HE% 1.0 1.8 9.4 1152 834 A 43 ILE HG2% A 14 LEU HDx% 1.0 1.8 6.6 1153 834 A 14 LEU HDy% A 43 ILE HG2% 1.0 1.8 6.6 1154 835 A 14 LEU HDy% A 45 LYS HBy 1.0 1.8 6.9 1155 835 A 14 LEU HDx% A 45 LYS HBy 1.0 1.8 6.9 1156 835 A 45 LYS HBx A 14 LEU HDx% 1.0 1.8 6.9 1157 835 A 14 LEU HDy% A 45 LYS HBx 1.0 1.8 6.9 1158 836 A 14 LEU HDy% A 45 LYS HDx 1.0 1.8 6.1 1159 836 A 14 LEU HDx% A 45 LYS HDx 1.0 1.8 6.1 1160 836 A 45 LYS HDy A 14 LEU HDx% 1.0 1.8 6.1 1161 836 A 14 LEU HDy% A 45 LYS HDy 1.0 1.8 6.1 1162 837 A 16 ILE HD1% A 32 TYR HA 1.0 1.8 5.0 1163 838 A 16 ILE HD1% A 32 TYR HBx 1.0 1.8 7.5 1164 838 A 16 ILE HD1% A 32 TYR HBy 1.0 1.8 7.5 1165 839 A 16 ILE HD1% A 32 TYR HD% 1.0 1.8 8.5 1166 840 A 16 ILE HD1% A 32 TYR HE% 1.0 1.8 7.0 1167 841 A 16 ILE HD1% A 43 ILE HG1y 1.0 1.8 6.5 1168 842 A 16 ILE HD1% A 43 ILE HG2% 1.0 1.8 5.7 1169 843 A 16 ILE HD1% A 43 ILE HG2% 1.0 1.8 6.5 1170 844 A 16 ILE HG2% A 27 VAL HB 1.0 1.8 4.2 1171 845 A 16 ILE HG2% A 27 VAL HGx% 1.0 1.8 6.6 1172 845 A 16 ILE HG2% A 27 VAL HGy% 1.0 1.8 6.6 1173 846 A 16 ILE HG2% A 32 TYR HE% 1.0 1.8 8.5 1174 847 A 16 ILE HG2% A 35 PHE HE% 1.0 1.8 7.0 1175 848 A 16 ILE HG2% A 35 PHE HZ 1.0 1.8 6.5 1176 849 A 16 ILE HG2% A 41 TYR HBx 1.0 1.8 7.5 1177 849 A 16 ILE HG2% A 41 TYR HBy 1.0 1.8 7.5 1178 850 A 16 ILE HG2% A 41 TYR HD% 1.0 1.8 8.5 1179 851 A 16 ILE HG2% A 41 TYR HE% 1.0 1.8 8.5 1180 852 A 43 ILE HA A 16 ILE HG2% 1.0 1.8 6.5 1181 853 A 16 ILE HG2% A 43 ILE HD1% 1.0 1.8 6.5 1182 854 A 16 ILE HG2% A 43 ILE HG1y 1.0 1.8 6.5 1183 855 A 17 TRP HH2 A 44 LEU HDx% 1.0 1.8 7.4 1184 855 A 17 TRP HH2 A 44 LEU HDy% 1.0 1.8 7.4 1185 856 A 19 VAL HA A 24 LEU HDx% 1.0 1.8 7.4 1186 856 A 19 VAL HA A 24 LEU HDy% 1.0 1.8 7.4 1187 857 A 19 VAL HGx% A 24 LEU HDx% 1.0 1.8 8.3 1188 857 A 19 VAL HGy% A 24 LEU HDx% 1.0 1.8 8.3 1189 857 A 24 LEU HDy% A 19 VAL HGx% 1.0 1.8 8.3 1190 857 A 19 VAL HGy% A 24 LEU HDy% 1.0 1.8 8.3 1191 858 A 74 ALA HA A 19 VAL HGx% 1.0 1.8 5.1 1192 858 A 19 VAL HGy% A 74 ALA HA 1.0 1.8 5.1 1193 859 A 74 ALA HB% A 19 VAL HGx% 1.0 1.8 6.6 1194 859 A 19 VAL HGy% A 74 ALA HB% 1.0 1.8 6.6 1195 860 A 27 VAL HA A 27 VAL HGx% 1.0 1.8 4.4 1196 860 A 27 VAL HGy% A 27 VAL HA 1.0 1.8 4.4 1197 861 A 41 TYR HE% A 27 VAL HGx% 1.0 1.8 7.9 1198 861 A 27 VAL HGy% A 41 TYR HE% 1.0 1.8 7.9 1199 862 A 29 THR HG2% A 32 TYR HE% 1.0 1.8 8.5 1200 863 A 35 PHE HD% A 111 LEU HDx% 1.0 1.8 7.9 1201 863 A 35 PHE HD% A 111 LEU HDy% 1.0 1.8 7.9 1202 864 A 35 PHE HE% A 111 LEU HDx% 1.0 1.8 7.1 1203 864 A 111 LEU HDy% A 35 PHE HE% 1.0 1.8 7.1 1204 865 A 43 ILE HD1% A 35 PHE HE% 1.0 1.8 7.0 1205 866 A 37 THR HG2% A 113 TYR HBx 1.0 1.8 6.0 1206 866 A 37 THR HG2% A 113 TYR HBy 1.0 1.8 6.0 1207 867 A 37 THR HG2% A 115 LYS HA 1.0 1.8 5.0 1208 868 A 40 ALA HA A 40 ALA HB% 1.0 1.8 5.0 1209 869 A 40 ALA HA A 62 LEU HDx% 1.0 1.8 7.4 1210 869 A 40 ALA HA A 62 LEU HDy% 1.0 1.8 7.4 1211 870 A 43 ILE HD1% A 41 TYR HBx 1.0 1.8 6.0 1212 870 A 41 TYR HBy A 43 ILE HD1% 1.0 1.8 6.0 1213 871 A 42 VAL HA A 43 ILE HD1% 1.0 1.8 6.5 1214 872 A 42 VAL HB A 43 ILE HG2% 1.0 1.8 6.5 1215 873 A 42 VAL HG21 A 81 LEU HDx% 1.0 1.8 7.5 1216 873 A 42 VAL HGx% A 81 LEU HDx% 1.0 1.8 7.5 1217 873 A 81 LEU HDy% A 42 VAL HGx% 1.0 1.8 7.5 1218 873 A 42 VAL HG21 A 81 LEU HDy% 1.0 1.8 7.5 1219 874 A 43 ILE HD1% A 43 ILE HG1y 1.0 1.8 4.2 1220 875 A 43 ILE HD1% A 59 HIS HBy 1.0 1.8 7.5 1221 875 A 43 ILE HD1% A 59 HIS HBx 1.0 1.8 7.5 1222 876 A 43 ILE HD1% A 60 TYR HA 1.0 1.8 6.5 1223 877 A 43 ILE HD1% A 61 TRP HBy 1.0 1.8 6.0 1224 877 A 43 ILE HD1% A 61 TRP HBx 1.0 1.8 6.0 1225 878 A 43 ILE HG2% A 106 TYR HD% 1.0 1.8 8.5 1226 879 A 43 ILE HG2% A 106 TYR HE% 1.0 1.8 8.5 1227 880 A 44 LEU HG A 44 LEU HDx% 1.0 1.8 4.4 1228 880 A 44 LEU HDy% A 44 LEU HG 1.0 1.8 4.4 1229 881 A 44 LEU HDx% A 56 TYR HBx 1.0 1.8 8.4 1230 881 A 44 LEU HDy% A 56 TYR HBx 1.0 1.8 8.4 1231 881 A 56 TYR HBy A 44 LEU HDx% 1.0 1.8 8.4 1232 881 A 44 LEU HDy% A 56 TYR HBy 1.0 1.8 8.4 1233 882 A 44 LEU HDx% A 81 LEU HDx% 1.0 1.8 7.5 1234 882 A 44 LEU HDy% A 81 LEU HDx% 1.0 1.8 7.5 1235 882 A 81 LEU HDy% A 44 LEU HDx% 1.0 1.8 7.5 1236 882 A 44 LEU HDy% A 81 LEU HDy% 1.0 1.8 7.5 1237 883 A 84 TYR HE% A 44 LEU HDx% 1.0 1.8 9.4 1238 883 A 44 LEU HDy% A 84 TYR HE% 1.0 1.8 9.4 1239 884 A 44 LEU HDx% A 85 LEU HDx% 1.0 1.8 7.5 1240 884 A 44 LEU HDy% A 85 LEU HDx% 1.0 1.8 7.5 1241 884 A 85 LEU HDy% A 44 LEU HDx% 1.0 1.8 7.5 1242 884 A 44 LEU HDy% A 85 LEU HDy% 1.0 1.8 7.5 1243 885 A 56 TYR HE% A 46 THR HG2% 1.0 1.8 6.2 1244 886 A 48 GLN HBx A 54 LEU HDx% 1.0 1.8 6.9 1245 886 A 48 GLN HBy A 54 LEU HDx% 1.0 1.8 6.9 1246 886 A 54 LEU HDy% A 48 GLN HBy 1.0 1.8 6.9 1247 886 A 54 LEU HDy% A 48 GLN HBx 1.0 1.8 6.9 1248 887 A 48 GLN HGx A 54 LEU HDx% 1.0 1.8 6.9 1249 887 A 48 GLN HGy A 54 LEU HDx% 1.0 1.8 6.9 1250 887 A 54 LEU HDy% A 48 GLN HGx 1.0 1.8 6.9 1251 887 A 54 LEU HDy% A 48 GLN HGy 1.0 1.8 6.9 1252 888 A 49 LEU HDy% A 53 ASN HBy 1.0 1.8 6.1 1253 888 A 49 LEU HDx% A 53 ASN HBy 1.0 1.8 6.1 1254 888 A 53 ASN HBx A 49 LEU HDx% 1.0 1.8 6.1 1255 888 A 49 LEU HDy% A 53 ASN HBx 1.0 1.8 6.1 1256 889 A 49 LEU HDy% A 55 GLN HBx 1.0 1.8 6.1 1257 889 A 49 LEU HDx% A 55 GLN HBx 1.0 1.8 6.1 1258 889 A 55 GLN HBy A 49 LEU HDx% 1.0 1.8 6.1 1259 889 A 49 LEU HDy% A 55 GLN HBy 1.0 1.8 6.1 1260 890 A 49 LEU HDy% A 55 GLN HGx 1.0 1.8 6.9 1261 890 A 49 LEU HDx% A 55 GLN HGx 1.0 1.8 6.9 1262 890 A 55 GLN HGy A 49 LEU HDx% 1.0 1.8 6.9 1263 890 A 49 LEU HDy% A 55 GLN HGy 1.0 1.8 6.9 1264 891 A 78 THR HG2% A 58 LEU HDx% 1.0 1.8 6.6 1265 891 A 58 LEU HDy% A 78 THR HG2% 1.0 1.8 6.6 1266 892 A 58 LEU HDy% A 81 LEU HDx% 1.0 1.8 8.3 1267 892 A 58 LEU HDx% A 81 LEU HDx% 1.0 1.8 8.3 1268 892 A 81 LEU HDy% A 58 LEU HDx% 1.0 1.8 8.3 1269 892 A 58 LEU HDy% A 81 LEU HDy% 1.0 1.8 8.3 1270 893 A 89 ALA HB% A 58 LEU HDx% 1.0 1.8 6.6 1271 893 A 89 ALA HB% A 58 LEU HDy% 1.0 1.8 6.6 1272 894 A 60 TYR HD% A 62 LEU HDx% 1.0 1.8 7.1 1273 894 A 60 TYR HD% A 62 LEU HDy% 1.0 1.8 7.1 1274 895 A 60 TYR HD% A 78 THR HG2% 1.0 1.8 7.0 1275 896 A 60 TYR HE% A 62 LEU HDx% 1.0 1.8 7.1 1276 896 A 60 TYR HE% A 62 LEU HDy% 1.0 1.8 7.1 1277 897 A 60 TYR HE% A 78 THR HG2% 1.0 1.8 7.0 1278 898 A 71 SER HA A 62 LEU HDx% 1.0 1.8 5.1 1279 898 A 62 LEU HDy% A 71 SER HA 1.0 1.8 5.1 1280 899 A 62 LEU HDy% A 71 SER HBx 1.0 1.8 6.1 1281 899 A 71 SER HBy A 62 LEU HDx% 1.0 1.8 6.1 1282 899 A 62 LEU HDy% A 71 SER HBy 1.0 1.8 6.1 1283 899 A 62 LEU HDx% A 71 SER HBx 1.0 1.8 6.1 1284 900 A 74 ALA HB% A 62 LEU HDx% 1.0 1.8 6.6 1285 900 A 74 ALA HB% A 62 LEU HDy% 1.0 1.8 6.6 1286 901 A 70 GLU HA A 73 ALA HB% 1.0 1.8 5.0 1287 902 A 74 ALA HB% A 71 SER HA 1.0 1.8 6.5 1288 903 A 73 ALA HB% A 76 ILE HD1% 1.0 1.8 6.5 1289 904 A 76 ILE HA A 79 VAL HGx% 1.0 1.8 5.1 1290 904 A 76 ILE HA A 79 VAL HGy% 1.0 1.8 5.1 1291 905 A 81 LEU HDy% A 85 LEU HDx% 1.0 1.8 8.3 1292 905 A 85 LEU HDy% A 81 LEU HDx% 1.0 1.8 8.3 1293 905 A 81 LEU HDy% A 85 LEU HDy% 1.0 1.8 8.3 1294 905 A 81 LEU HDx% A 85 LEU HDx% 1.0 1.8 8.3 1295 906 A 84 TYR HD% A 85 LEU HDx% 1.0 1.8 7.9 1296 906 A 84 TYR HD% A 85 LEU HDy% 1.0 1.8 7.9 1297 907 A 84 TYR HE% A 85 LEU HDx% 1.0 1.8 7.9 1298 907 A 85 LEU HDy% A 84 TYR HE% 1.0 1.8 7.9 1299 908 A 89 ALA HB% A 85 LEU HDx% 1.0 1.8 7.4 1300 908 A 89 ALA HB% A 85 LEU HDy% 1.0 1.8 7.4 1301 909 A 102 THR HG2% A 106 TYR HE% 1.0 1.8 7.0 1302 910 A 103 PHE HD% A 104 LEU HDx% 1.0 1.8 9.4 1303 910 A 104 LEU HDy% A 103 PHE HD% 1.0 1.8 9.4 1304 911 A 104 LEU HDx% A 111 LEU HDx% 1.0 1.8 7.5 1305 911 A 104 LEU HDy% A 111 LEU HDx% 1.0 1.8 7.5 1306 911 A 111 LEU HDy% A 104 LEU HDx% 1.0 1.8 7.5 1307 911 A 104 LEU HDy% A 111 LEU HDy% 1.0 1.8 7.5 1308 912 A 107 PHE HD% A 111 LEU HDx% 1.0 1.8 7.9 1309 912 A 107 PHE HD% A 111 LEU HDy% 1.0 1.8 7.9 1310 913 A 113 TYR HE% A 111 LEU HDx% 1.0 1.8 7.9 1311 913 A 113 TYR HE% A 111 LEU HDy% 1.0 1.8 7.9 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 112 LYS H A 33 GLY O 1.0 1.8 2.2 2 2 A 33 GLY O A 112 LYS N 1.0 2.2 3.3 3 3 A 114 LYS H A 35 PHE O 1.0 1.8 2.2 4 4 A 35 PHE O A 114 LYS N 1.0 2.2 3.3 5 5 A 35 PHE H A 112 LYS O 1.0 1.8 2.2 6 6 A 112 LYS O A 35 PHE N 1.0 2.2 3.3 7 7 A 46 THR H A 13 GLY O 1.0 1.8 2.2 8 8 A 13 GLY O A 46 THR N 1.0 2.2 3.3 9 9 A 44 LEU H A 15 GLN O 1.0 1.8 2.2 10 10 A 15 GLN O A 44 LEU N 1.0 2.2 3.3 11 11 A 42 VAL H A 17 TRP O 1.0 1.8 2.2 12 12 A 17 TRP O A 42 VAL N 1.0 2.2 3.3 13 13 A 13 GLY H A 46 THR O 1.0 1.8 2.2 14 14 A 46 THR O A 13 GLY N 1.0 2.2 3.3 15 15 A 15 GLN H A 44 LEU O 1.0 1.8 2.2 16 16 A 44 LEU O A 15 GLN N 1.0 2.2 3.3 17 17 A 17 TRP H A 42 VAL O 1.0 1.8 2.2 18 18 A 42 VAL O A 17 TRP N 1.0 2.2 3.3 19 19 A 19 VAL H A 40 ALA O 1.0 1.8 2.2 20 20 A 40 ALA O A 19 VAL N 1.0 2.2 3.3 21 21 A 18 ARG H A 25 VAL O 1.0 1.8 2.2 22 22 A 25 VAL O A 18 ARG N 1.0 2.2 3.3 23 23 A 55 GLN H A 47 VAL O 1.0 1.8 2.2 24 24 A 47 VAL O A 55 GLN N 1.0 2.2 3.3 25 25 A 57 ASP H A 45 LYS O 1.0 1.8 2.2 26 26 A 45 LYS O A 57 ASP N 1.0 2.2 3.3 27 27 A 59 HIS H A 43 ILE O 1.0 1.8 2.2 28 28 A 43 ILE O A 59 HIS N 1.0 2.2 3.3 29 29 A 61 TRP H A 41 TYR O 1.0 1.8 2.2 30 30 A 41 TYR O A 61 TRP N 1.0 2.2 3.3 31 31 A 41 TYR H A 61 TRP O 1.0 1.8 2.2 32 32 A 61 TRP O A 41 TYR N 1.0 2.2 3.3 33 33 A 43 ILE H A 59 HIS O 1.0 1.8 2.2 34 34 A 59 HIS O A 43 ILE N 1.0 2.2 3.3 35 35 A 45 LYS H A 57 ASP O 1.0 1.8 2.2 36 36 A 57 ASP O A 45 LYS N 1.0 2.2 3.3 37 37 A 47 VAL H A 55 GLN O 1.0 1.8 2.2 38 38 A 55 GLN O A 47 VAL N 1.0 2.2 3.3 39 39 A 62 LEU H A 94 GLU O 1.0 1.8 2.2 40 40 A 94 GLU O A 62 LEU N 1.0 2.2 3.3 41 41 A 60 TYR H A 92 HIS O 1.0 1.8 2.2 42 42 A 92 HIS O A 60 TYR N 1.0 2.2 3.3 43 43 A 58 LEU H A 90 VAL O 1.0 1.8 2.2 44 44 A 90 VAL O A 58 LEU N 1.0 2.2 3.3 45 45 A 92 HIS H A 58 LEU O 1.0 1.8 2.2 46 46 A 58 LEU O A 92 HIS N 1.0 2.2 3.3 47 47 A 94 GLU H A 60 TYR O 1.0 1.8 2.2 48 48 A 60 TYR O A 94 GLU N 1.0 2.2 3.3 49 49 A 8 ALA H A 4 GLU O 1.0 1.8 2.2 50 50 A 4 GLU O A 8 ALA N 1.0 2.2 3.3 51 51 A 32 TYR H A 28 PRO O 1.0 1.8 2.2 52 52 A 28 PRO O A 32 TYR N 1.0 2.2 3.3 53 53 A 107 PHE H A 103 PHE O 1.0 1.8 2.2 54 54 A 103 PHE O A 107 PHE N 1.0 2.2 3.3 55 55 A 106 TYR H A 102 THR O 1.0 1.8 2.2 56 56 A 102 THR O A 106 TYR N 1.0 2.2 3.3 57 57 A 105 GLY H A 101 ALA O 1.0 1.8 2.2 58 58 A 101 ALA O A 105 GLY N 1.0 2.2 3.3 59 59 A 104 LEU H A 100 SER O 1.0 1.8 2.2 60 60 A 100 SER O A 104 LEU N 1.0 2.2 3.3 61 61 A 72 GLY H A 68 GLN O 1.0 1.8 2.2 62 62 A 68 GLN O A 72 GLY N 1.0 2.2 3.3 63 63 A 73 ALA H A 69 ASP O 1.0 1.8 2.2 64 64 A 69 ASP O A 73 ALA N 1.0 2.2 3.3 65 65 A 74 ALA H A 70 GLU O 1.0 1.8 2.2 66 66 A 70 GLU O A 74 ALA N 1.0 2.2 3.3 67 67 A 75 ALA H A 71 SER O 1.0 1.8 2.2 68 68 A 71 SER O A 75 ALA N 1.0 2.2 3.3 69 69 A 76 ILE H A 72 GLY O 1.0 1.8 2.2 70 70 A 72 GLY O A 76 ILE N 1.0 2.2 3.3 71 71 A 77 PHE H A 73 ALA O 1.0 1.8 2.2 72 72 A 73 ALA O A 77 PHE N 1.0 2.2 3.3 73 73 A 78 THR H A 74 ALA O 1.0 1.8 2.2 74 74 A 74 ALA O A 78 THR N 1.0 2.2 3.3 75 75 A 79 VAL H A 75 ALA O 1.0 1.8 2.2 76 76 A 75 ALA O A 79 VAL N 1.0 2.2 3.3 77 77 A 80 GLN H A 76 ILE O 1.0 1.8 2.2 78 78 A 76 ILE O A 80 GLN N 1.0 2.2 3.3 79 79 A 81 LEU H A 77 PHE O 1.0 1.8 2.2 80 80 A 77 PHE O A 81 LEU N 1.0 2.2 3.3 81 81 A 82 ASP H A 78 THR O 1.0 1.8 2.2 82 82 A 78 THR O A 82 ASP N 1.0 2.2 3.3 83 83 A 83 ASP H A 79 VAL O 1.0 1.8 2.2 84 84 A 79 VAL O A 83 ASP N 1.0 2.2 3.3 85 85 A 84 TYR H A 80 GLN O 1.0 1.8 2.2 86 86 A 80 GLN O A 84 TYR N 1.0 2.2 3.3 87 87 A 85 LEU H A 81 LEU O 1.0 1.8 2.2 88 88 A 81 LEU O A 85 LEU N 1.0 2.2 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 3 PRO C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -83.0 -43.0 PHI 2 2 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 PHE N 1.0 -46.0 2.0 PSI 3 3 A 4 GLU C A 5 PHE N A 5 PHE CA A 5 PHE C 1.0 -92.0 -44.0 PHI 4 4 A 5 PHE N A 5 PHE CA A 5 PHE C A 6 LEU N 1.0 -65.0 15.0 PSI 5 5 A 5 PHE C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -95.0 -29.0 PHI 6 6 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 LYS N 1.0 -61.0 11.0 PSI 7 7 A 6 LEU C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -131.0 -47.0 PHI 8 8 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 ALA N 1.0 -56.0 36.0 PSI 9 9 A 13 GLY C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -162.0 -90.0 PHI 10 10 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 GLN N 1.0 117.0 157.0 PSI 11 11 A 14 LEU C A 15 GLN N A 15 GLN CA A 15 GLN C 1.0 -174.0 -84.0 PHI 12 12 A 15 GLN N A 15 GLN CA A 15 GLN C A 16 ILE N 1.0 115.0 171.0 PSI 13 13 A 15 GLN C A 16 ILE N A 16 ILE CA A 16 ILE C 1.0 -170.0 -80.0 PHI 14 14 A 16 ILE N A 16 ILE CA A 16 ILE C A 17 TRP N 1.0 110.0 162.0 PSI 15 15 A 16 ILE C A 17 TRP N A 17 TRP CA A 17 TRP C 1.0 -164.0 -92.0 PHI 16 16 A 17 TRP N A 17 TRP CA A 17 TRP C A 18 ARG N 1.0 108.0 172.0 PSI 17 17 A 17 TRP C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -163.0 -73.0 PHI 18 18 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 VAL N 1.0 101.0 153.0 PSI 19 19 A 18 ARG C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -142.0 -64.0 PHI 20 20 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 GLU N 1.0 98.0 146.0 PSI 21 21 A 19 VAL C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -171.0 -71.0 PHI 22 22 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 LYS N 1.0 88.0 160.0 PSI 23 23 A 23 ASP C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -158.0 -68.0 PHI 24 24 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 VAL N 1.0 106.0 146.0 PSI 25 25 A 24 LEU C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -149.0 -49.0 PHI 26 26 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 PRO N 1.0 92.0 160.0 PSI 27 27 A 25 VAL C A 26 PRO N A 26 PRO CA A 26 PRO C 1.0 -101.0 -29.0 PHI 28 28 A 26 PRO N A 26 PRO CA A 26 PRO C A 27 VAL N 1.0 115.0 175.0 PSI 29 29 A 26 PRO C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -149.0 -49.0 PHI 30 30 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 PRO N 1.0 102.0 146.0 PSI 31 31 A 27 VAL C A 28 PRO N A 28 PRO CA A 28 PRO C 1.0 -89.0 -35.0 PHI 32 32 A 28 PRO N A 28 PRO CA A 28 PRO C A 29 THR N 1.0 128.0 168.0 PSI 33 33 A 33 GLY C A 34 ASP N A 34 ASP CA A 34 ASP C 1.0 -151.0 -51.0 PHI 34 34 A 34 ASP N A 34 ASP CA A 34 ASP C A 35 PHE N 1.0 91.0 159.0 PSI 35 35 A 34 ASP C A 35 PHE N A 35 PHE CA A 35 PHE C 1.0 -162.0 -62.0 PHI 36 36 A 35 PHE N A 35 PHE CA A 35 PHE C A 36 PHE N 1.0 102.0 166.0 PSI 37 37 A 35 PHE C A 36 PHE N A 36 PHE CA A 36 PHE C 1.0 -114.0 -48.0 PHI 38 38 A 36 PHE N A 36 PHE CA A 36 PHE C A 37 THR N 1.0 112.0 212.0 PSI 39 39 A 36 PHE C A 37 THR N A 37 THR CA A 37 THR C 1.0 -98.0 -26.0 PHI 40 40 A 37 THR N A 37 THR CA A 37 THR C A 38 GLY N 1.0 -45.0 -5.0 PSI 41 41 A 39 ASP C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -178.0 -78.0 PHI 42 42 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 TYR N 1.0 116.0 176.0 PSI 43 43 A 40 ALA C A 41 TYR N A 41 TYR CA A 41 TYR C 1.0 -184.0 -88.0 PHI 44 44 A 41 TYR N A 41 TYR CA A 41 TYR C A 42 VAL N 1.0 135.0 175.0 PSI 45 45 A 41 TYR C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -168.0 -72.0 PHI 46 46 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 ILE N 1.0 104.0 144.0 PSI 47 47 A 42 VAL C A 43 ILE N A 43 ILE CA A 43 ILE C 1.0 -164.0 -86.0 PHI 48 48 A 43 ILE N A 43 ILE CA A 43 ILE C A 44 LEU N 1.0 101.0 165.0 PSI 49 49 A 43 ILE C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -150.0 -90.0 PHI 50 50 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 LYS N 1.0 107.0 147.0 PSI 51 51 A 44 LEU C A 45 LYS N A 45 LYS CA A 45 LYS C 1.0 -152.0 -80.0 PHI 52 52 A 45 LYS N A 45 LYS CA A 45 LYS C A 46 THR N 1.0 100.0 152.0 PSI 53 53 A 45 LYS C A 46 THR N A 46 THR CA A 46 THR C 1.0 -143.0 -65.0 PHI 54 54 A 46 THR N A 46 THR CA A 46 THR C A 47 VAL N 1.0 107.0 147.0 PSI 55 55 A 46 THR C A 47 VAL N A 47 VAL CA A 47 VAL C 1.0 -165.0 -87.0 PHI 56 56 A 47 VAL N A 47 VAL CA A 47 VAL C A 48 GLN N 1.0 107.0 167.0 PSI 57 57 A 47 VAL C A 48 GLN N A 48 GLN CA A 48 GLN C 1.0 -157.4 -57.4 PHI 58 58 A 48 GLN N A 48 GLN CA A 48 GLN C A 49 LEU N 1.0 98.6 146.4 PSI 59 59 A 48 GLN C A 49 LEU N A 49 LEU CA A 49 LEU C 1.0 -147.0 -47.0 PHI 60 60 A 49 LEU N A 49 LEU CA A 49 LEU C A 50 ARG N 1.0 101.0 169.0 PSI 61 61 A 54 LEU C A 55 GLN N A 55 GLN CA A 55 GLN C 1.0 -169.0 -69.0 PHI 62 62 A 55 GLN N A 55 GLN CA A 55 GLN C A 56 TYR N 1.0 107.0 171.0 PSI 63 63 A 55 GLN C A 56 TYR N A 56 TYR CA A 56 TYR C 1.0 -162.0 -96.0 PHI 64 64 A 56 TYR N A 56 TYR CA A 56 TYR C A 57 ASP N 1.0 115.0 167.0 PSI 65 65 A 56 TYR C A 57 ASP N A 57 ASP CA A 57 ASP C 1.0 -176.0 -86.0 PHI 66 66 A 57 ASP N A 57 ASP CA A 57 ASP C A 58 LEU N 1.0 111.0 155.0 PSI 67 67 A 57 ASP C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -154.0 -88.0 PHI 68 68 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 HIS N 1.0 110.0 150.0 PSI 69 69 A 58 LEU C A 59 HIS N A 59 HIS CA A 59 HIS C 1.0 -150.0 -84.0 PHI 70 70 A 59 HIS N A 59 HIS CA A 59 HIS C A 60 TYR N 1.0 110.0 150.0 PSI 71 71 A 59 HIS C A 60 TYR N A 60 TYR CA A 60 TYR C 1.0 -169.0 -69.0 PHI 72 72 A 60 TYR N A 60 TYR CA A 60 TYR C A 61 TRP N 1.0 116.0 160.0 PSI 73 73 A 60 TYR C A 61 TRP N A 61 TRP CA A 61 TRP C 1.0 -161.0 -89.0 PHI 74 74 A 61 TRP N A 61 TRP CA A 61 TRP C A 62 LEU N 1.0 124.0 164.0 PSI 75 75 A 61 TRP C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -145.0 -67.0 PHI 76 76 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 GLY N 1.0 86.0 162.0 PSI 77 77 A 63 GLY C A 64 ASN N A 64 ASN CA A 64 ASN C 1.0 -82.0 -42.0 PHI 78 78 A 64 ASN N A 64 ASN CA A 64 ASN C A 65 GLU N 1.0 -53.0 -13.0 PSI 79 79 A 64 ASN C A 65 GLU N A 65 GLU CA A 65 GLU C 1.0 -118.0 -78.0 PHI 80 80 A 65 GLU N A 65 GLU CA A 65 GLU C A 66 CYS N 1.0 -17.0 35.0 PSI 81 81 A 65 GLU C A 66 CYS N A 66 CYS CA A 66 CYS C 1.0 -129.0 -29.0 PHI 82 82 A 66 CYS N A 66 CYS CA A 66 CYS C A 67 SER N 1.0 100.0 164.0 PSI 83 83 A 66 CYS C A 67 SER N A 67 SER CA A 67 SER C 1.0 -103.0 -37.0 PHI 84 84 A 67 SER N A 67 SER CA A 67 SER C A 68 GLN N 1.0 97.0 189.0 PSI 85 85 A 67 SER C A 68 GLN N A 68 GLN CA A 68 GLN C 1.0 -80.0 -40.0 PHI 86 86 A 68 GLN N A 68 GLN CA A 68 GLN C A 69 ASP N 1.0 -58.0 -18.0 PSI 87 87 A 68 GLN C A 69 ASP N A 69 ASP CA A 69 ASP C 1.0 -87.9 -47.9 PHI 88 88 A 69 ASP N A 69 ASP CA A 69 ASP C A 70 GLU N 1.0 -58.4 -18.4 PSI 89 89 A 69 ASP C A 70 GLU N A 70 GLU CA A 70 GLU C 1.0 -85.1 -45.1 PHI 90 90 A 70 GLU N A 70 GLU CA A 70 GLU C A 71 SER N 1.0 -61.6 -21.6 PSI 91 91 A 70 GLU C A 71 SER N A 71 SER CA A 71 SER C 1.0 -83.5 -43.5 PHI 92 92 A 71 SER N A 71 SER CA A 71 SER C A 72 GLY N 1.0 -61.0 -21.0 PSI 93 93 A 71 SER C A 72 GLY N A 72 GLY CA A 72 GLY C 1.0 -84.6 -44.6 PHI 94 94 A 72 GLY N A 72 GLY CA A 72 GLY C A 73 ALA N 1.0 -60.7 -20.7 PSI 95 95 A 72 GLY C A 73 ALA N A 73 ALA CA A 73 ALA C 1.0 -84.4 -44.4 PHI 96 96 A 73 ALA N A 73 ALA CA A 73 ALA C A 74 ALA N 1.0 -62.0 -22.0 PSI 97 97 A 73 ALA C A 74 ALA N A 74 ALA CA A 74 ALA C 1.0 -84.5 -44.5 PHI 98 98 A 74 ALA N A 74 ALA CA A 74 ALA C A 75 ALA N 1.0 -59.6 -19.6 PSI 99 99 A 74 ALA C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -83.3 -43.3 PHI 100 100 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 ILE N 1.0 -60.3 -20.3 PSI 101 101 A 75 ALA C A 76 ILE N A 76 ILE CA A 76 ILE C 1.0 -87.1 -47.1 PHI 102 102 A 76 ILE N A 76 ILE CA A 76 ILE C A 77 PHE N 1.0 -62.5 -22.5 PSI 103 103 A 76 ILE C A 77 PHE N A 77 PHE CA A 77 PHE C 1.0 -81.0 -41.0 PHI 104 104 A 77 PHE N A 77 PHE CA A 77 PHE C A 78 THR N 1.0 -60.4 -20.4 PSI 105 105 A 77 PHE C A 78 THR N A 78 THR CA A 78 THR C 1.0 -82.8 -42.8 PHI 106 106 A 78 THR N A 78 THR CA A 78 THR C A 79 VAL N 1.0 -61.6 -21.6 PSI 107 107 A 78 THR C A 79 VAL N A 79 VAL CA A 79 VAL C 1.0 -83.8 -43.8 PHI 108 108 A 79 VAL N A 79 VAL CA A 79 VAL C A 80 GLN N 1.0 -63.9 -23.9 PSI 109 109 A 79 VAL C A 80 GLN N A 80 GLN CA A 80 GLN C 1.0 -83.5 -42.7 PHI 110 110 A 80 GLN N A 80 GLN CA A 80 GLN C A 81 LEU N 1.0 -61.1 -21.1 PSI 111 111 A 80 GLN C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -83.0 -43.0 PHI 112 112 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 ASP N 1.0 -61.6 -21.6 PSI 113 113 A 81 LEU C A 82 ASP N A 82 ASP CA A 82 ASP C 1.0 -84.1 -44.1 PHI 114 114 A 82 ASP N A 82 ASP CA A 82 ASP C A 83 ASP N 1.0 -61.9 -21.9 PSI 115 115 A 82 ASP C A 83 ASP N A 83 ASP CA A 83 ASP C 1.0 -87.9 -42.3 PHI 116 116 A 83 ASP N A 83 ASP CA A 83 ASP C A 84 TYR N 1.0 -62.5 -15.9 PSI 117 117 A 83 ASP C A 84 TYR N A 84 TYR CA A 84 TYR C 1.0 -81.5 -41.5 PHI 118 118 A 84 TYR N A 84 TYR CA A 84 TYR C A 85 LEU N 1.0 -63.4 -12.8 PSI 119 119 A 84 TYR C A 85 LEU N A 85 LEU CA A 85 LEU C 1.0 -121.2 -52.8 PHI 120 120 A 85 LEU N A 85 LEU CA A 85 LEU C A 86 ASN N 1.0 -29.5 39.3 PSI 121 121 A 88 ARG C A 89 ALA N A 89 ALA CA A 89 ALA C 1.0 -157.0 -57.0 PHI 122 122 A 89 ALA N A 89 ALA CA A 89 ALA C A 90 VAL N 1.0 95.0 179.0 PSI 123 123 A 89 ALA C A 90 VAL N A 90 VAL CA A 90 VAL C 1.0 -136.0 -36.0 PHI 124 124 A 90 VAL N A 90 VAL CA A 90 VAL C A 91 GLN N 1.0 92.0 180.0 PSI 125 125 A 90 VAL C A 91 GLN N A 91 GLN CA A 91 GLN C 1.0 -156.0 -56.0 PHI 126 126 A 91 GLN N A 91 GLN CA A 91 GLN C A 92 HIS N 1.0 109.0 169.0 PSI 127 127 A 91 GLN C A 92 HIS N A 92 HIS CA A 92 HIS C 1.0 -186.0 -86.0 PHI 128 128 A 92 HIS N A 92 HIS CA A 92 HIS C A 93 ARG N 1.0 105.0 161.0 PSI 129 129 A 92 HIS C A 93 ARG N A 93 ARG CA A 93 ARG C 1.0 -151.0 -51.0 PHI 130 130 A 93 ARG N A 93 ARG CA A 93 ARG C A 94 GLU N 1.0 93.0 153.0 PSI 131 131 A 93 ARG C A 94 GLU N A 94 GLU CA A 94 GLU C 1.0 -164.0 -64.0 PHI 132 132 A 94 GLU N A 94 GLU CA A 94 GLU C A 95 VAL N 1.0 121.0 161.0 PSI 133 133 A 94 GLU C A 95 VAL N A 95 VAL CA A 95 VAL C 1.0 -175.0 -75.0 PHI 134 134 A 95 VAL N A 95 VAL CA A 95 VAL C A 96 GLN N 1.0 121.0 177.0 PSI 135 135 A 95 VAL C A 96 GLN N A 96 GLN CA A 96 GLN C 1.0 -95.0 -23.0 PHI 136 136 A 96 GLN N A 96 GLN CA A 96 GLN C A 97 GLY N 1.0 116.0 156.0 PSI 137 137 A 96 GLN C A 97 GLY N A 97 GLY CA A 97 GLY C 1.0 35.0 131.0 PHI 138 138 A 97 GLY N A 97 GLY CA A 97 GLY C A 98 PHE N 1.0 -35.0 33.0 PSI 139 139 A 100 SER C A 101 ALA N A 101 ALA CA A 101 ALA C 1.0 -84.0 -44.0 PHI 140 140 A 101 ALA N A 101 ALA CA A 101 ALA C A 102 THR N 1.0 -65.0 -9.0 PSI 141 141 A 101 ALA C A 102 THR N A 102 THR CA A 102 THR C 1.0 -87.0 -47.0 PHI 142 142 A 102 THR N A 102 THR CA A 102 THR C A 103 PHE N 1.0 -65.0 -17.0 PSI 143 143 A 102 THR C A 103 PHE N A 103 PHE CA A 103 PHE C 1.0 -84.0 -44.0 PHI 144 144 A 103 PHE N A 103 PHE CA A 103 PHE C A 104 LEU N 1.0 -61.0 -21.0 PSI 145 145 A 103 PHE C A 104 LEU N A 104 LEU CA A 104 LEU C 1.0 -103.0 -31.0 PHI 146 146 A 104 LEU N A 104 LEU CA A 104 LEU C A 105 GLY N 1.0 -54.0 -14.0 PSI 147 147 A 104 LEU C A 105 GLY N A 105 GLY CA A 105 GLY C 1.0 -125.0 -41.0 PHI 148 148 A 105 GLY N A 105 GLY CA A 105 GLY C A 106 TYR N 1.0 -51.0 9.0 PSI 149 149 A 105 GLY C A 106 TYR N A 106 TYR CA A 106 TYR C 1.0 -143.0 -43.0 PHI 150 150 A 106 TYR N A 106 TYR CA A 106 TYR C A 107 PHE N 1.0 -55.0 45.0 PSI 151 151 A 106 TYR C A 107 PHE N A 107 PHE CA A 107 PHE C 1.0 -139.0 -39.0 PHI 152 152 A 107 PHE N A 107 PHE CA A 107 PHE C A 108 LYS N 1.0 79.0 179.0 PSI 153 153 A 107 PHE C A 108 LYS N A 108 LYS CA A 108 LYS C 1.0 -115.0 -15.0 PHI 154 154 A 108 LYS N A 108 LYS CA A 108 LYS C A 109 SER N 1.0 -57.0 3.0 PSI 155 155 A 108 LYS C A 109 SER N A 109 SER CA A 109 SER C 1.0 -106.0 -64.0 PHI 156 156 A 109 SER N A 109 SER CA A 109 SER C A 110 GLY N 1.0 -29.0 23.0 PSI 157 157 A 112 LYS C A 113 TYR N A 113 TYR CA A 113 TYR C 1.0 -139.0 -73.0 PHI 158 158 A 113 TYR N A 113 TYR CA A 113 TYR C A 114 LYS N 1.0 101.0 153.0 PSI 159 159 A 113 TYR C A 114 LYS N A 114 LYS CA A 114 LYS C 1.0 -169.0 -69.0 PHI 160 160 A 114 LYS N A 114 LYS CA A 114 LYS C A 115 LYS N 1.0 105.0 169.0 PSI 161 161 A 114 LYS C A 115 LYS N A 115 LYS CA A 115 LYS C 1.0 -139.0 -39.0 PHI 162 162 A 115 LYS N A 115 LYS CA A 115 LYS C A 116 GLY N 1.0 107.0 163.0 PSI stop_ save_