data_nef_c17021_2kzw save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ASN middle . . 3 A 3 ALA middle . . 4 A 4 ARG middle . . 5 A 5 ASP middle . . 6 A 6 ASN middle . . 7 A 7 LYS middle . . 8 A 8 PHE middle . . 9 A 9 ASN middle . . 10 A 10 THR middle . . 11 A 11 TRP middle . . 12 A 12 ASN middle . . 13 A 13 ASP middle . . 14 A 14 SER middle . . 15 A 15 ARG middle . . 16 A 16 GLY middle . false 17 A 17 ASN middle . . 18 A 18 TYR middle . . 19 A 19 TRP middle . . 20 A 20 SER middle . . 21 A 21 ASP middle . . 22 A 22 TYR middle . . 23 A 23 GLU middle . . 24 A 24 GLY middle . false 25 A 25 SER middle . . 26 A 26 ASP middle . . 27 A 27 GLU middle . . 28 A 28 ASN middle . . 29 A 29 GLY middle . false 30 A 30 ASP middle . . 31 A 31 GLY middle . false 32 A 32 ILE middle . . 33 A 33 GLY middle . false 34 A 34 ASP middle . . 35 A 35 SER middle . . 36 A 36 ALA middle . . 37 A 37 TYR middle . . 38 A 38 ALA middle . . 39 A 39 VAL middle . . 40 A 40 ASN middle . . 41 A 41 PRO middle . false 42 A 42 GLU middle . . 43 A 43 ALA middle . . 44 A 44 GLY middle . false 45 A 45 SER middle . . 46 A 46 MET middle . . 47 A 47 ASP middle . . 48 A 48 TYR middle . . 49 A 49 MET middle . . 50 A 50 PRO middle . false 51 A 51 LEU middle . . 52 A 52 MET middle . . 53 A 53 GLU middle . . 54 A 54 TYR middle . . 55 A 55 LEU middle . . 56 A 56 HIS middle . . 57 A 57 SER middle . . 58 A 58 SER middle . . 59 A 59 PRO middle . false 60 A 60 VAL middle . . 61 A 61 LEU middle . . 62 A 62 PRO middle . false 63 A 63 THR middle . . 64 A 64 ALA middle . . 65 A 65 ARG middle . . 66 A 66 PHE middle . . 67 A 67 THR middle . . 68 A 68 SER middle . . 69 A 69 ASP middle . . 70 A 70 ILE middle . . 71 A 71 THR middle . . 72 A 72 GLU middle . . 73 A 73 GLY middle . false 74 A 74 PHE middle . . 75 A 75 ALA middle . . 76 A 76 PRO middle . false 77 A 77 LEU middle . . 78 A 78 SER middle . . 79 A 79 VAL middle . . 80 A 80 ARG middle . . 81 A 81 PHE middle . . 82 A 82 LYS middle . . 83 A 83 ASP middle . . 84 A 84 PHE middle . . 85 A 85 SER middle . . 86 A 86 GLU middle . . 87 A 87 ASN middle . . 88 A 88 ALA middle . . 89 A 89 THR middle . . 90 A 90 SER middle . . 91 A 91 ARG middle . . 92 A 92 LEU middle . . 93 A 93 TRP middle . . 94 A 94 MET middle . . 95 A 95 PHE middle . . 96 A 96 GLY middle . false 97 A 97 ASP middle . . 98 A 98 GLY middle . false 99 A 99 ASN middle . . 100 A 100 THR middle . . 101 A 101 SER middle . . 102 A 102 ASP middle . . 103 A 103 SER middle . . 104 A 104 PRO middle . false 105 A 105 SER middle . . 106 A 106 PRO middle . false 107 A 107 LEU middle . . 108 A 108 HIS middle . . 109 A 109 THR middle . . 110 A 110 PHE middle . . 111 A 111 PHE middle . . 112 A 112 ASN middle . . 113 A 113 GLU middle . . 114 A 114 GLY middle . false 115 A 115 GLU middle . . 116 A 116 TYR middle . . 117 A 117 ILE middle . . 118 A 118 VAL middle . . 119 A 119 SER middle . . 120 A 120 LEU middle . . 121 A 121 ILE middle . . 122 A 122 VAL middle . . 123 A 123 SER middle . . 124 A 124 ASN middle . . 125 A 125 GLU middle . . 126 A 126 ASN middle . . 127 A 127 ASP middle . . 128 A 128 SER middle . . 129 A 129 ASP middle . . 130 A 130 SER middle . . 131 A 131 ALA middle . . 132 A 132 SER middle . . 133 A 133 VAL middle . . 134 A 134 THR middle . . 135 A 135 ILE middle . . 136 A 136 ARG middle . . 137 A 137 ALA middle . . 138 A 138 LEU middle . . 139 A 139 GLU middle . . 140 A 140 HIS middle . . 141 A 141 HIS middle . . 142 A 142 HIS middle . . 143 A 143 HIS middle . . 144 A 144 HIS middle . . 145 A 145 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 3 ALA HA H 1 4.267 0.020 A 3 ALA HB% H 1 1.365 0.020 A 3 ALA C C 13 177.886 0.200 A 3 ALA CA C 13 52.917 0.200 A 3 ALA CB C 13 18.943 0.200 A 4 ARG H H 1 8.305 0.020 A 4 ARG HA H 1 4.220 0.020 A 4 ARG HBy H 1 1.789 0.020 A 4 ARG HBx H 1 1.701 0.020 A 4 ARG HG2 H 1 1.540 0.020 A 4 ARG HG3 H 1 1.540 0.020 A 4 ARG C C 13 176.231 0.200 A 4 ARG CA C 13 56.466 0.200 A 4 ARG CB C 13 30.506 0.200 A 4 ARG CG C 13 26.871 0.200 A 4 ARG N N 15 119.166 0.200 A 7 LYS HA H 1 4.220 0.020 A 7 LYS HBy H 1 1.780 0.020 A 7 LYS HBx H 1 1.730 0.020 A 7 LYS C C 13 176.128 0.200 A 7 LYS CA C 13 56.466 0.200 A 7 LYS CB C 13 30.506 0.200 A 8 PHE H H 1 8.147 0.020 A 8 PHE HA H 1 4.536 0.020 A 8 PHE HB2 H 1 2.643 0.020 A 8 PHE HB3 H 1 2.643 0.020 A 8 PHE C C 13 176.114 0.200 A 8 PHE CA C 13 54.357 0.200 A 8 PHE CB C 13 41.132 0.200 A 8 PHE N N 15 120.560 0.200 A 9 ASN H H 1 8.243 0.020 A 9 ASN HA H 1 4.610 0.020 A 9 ASN HB2 H 1 2.610 0.020 A 9 ASN HB3 H 1 2.610 0.020 A 9 ASN C C 13 175.293 0.200 A 9 ASN CA C 13 53.419 0.200 A 9 ASN CB C 13 38.715 0.200 A 9 ASN N N 15 119.287 0.200 A 10 THR H H 1 7.956 0.020 A 10 THR HA H 1 4.272 0.020 A 10 THR HB H 1 4.145 0.020 A 10 THR HG2% H 1 1.087 0.020 A 10 THR C C 13 174.364 0.200 A 10 THR CA C 13 61.923 0.200 A 10 THR CB C 13 69.792 0.200 A 10 THR CG2 C 13 21.558 0.200 A 10 THR N N 15 113.460 0.200 A 11 TRP H H 1 8.127 0.020 A 11 TRP HA H 1 4.588 0.020 A 11 TRP HBy H 1 3.221 0.020 A 11 TRP HBx H 1 3.191 0.020 A 11 TRP HD1 H 1 7.152 0.020 A 11 TRP HE1 H 1 10.074 0.020 A 11 TRP HH2 H 1 7.147 0.020 A 11 TRP HZ2 H 1 7.402 0.020 A 11 TRP HZ3 H 1 7.422 0.020 A 11 TRP C C 13 175.762 0.200 A 11 TRP CA C 13 57.521 0.200 A 11 TRP CB C 13 29.537 0.200 A 11 TRP CD1 C 13 127.215 0.200 A 11 TRP CH2 C 13 124.561 0.200 A 11 TRP CZ2 C 13 114.605 0.200 A 11 TRP CZ3 C 13 120.769 0.200 A 11 TRP N N 15 122.803 0.200 A 11 TRP NE1 N 15 129.400 0.200 A 12 ASN HA H 1 4.563 0.020 A 12 ASN HBy H 1 2.610 0.020 A 12 ASN HBx H 1 2.502 0.020 A 12 ASN C C 13 174.604 0.200 A 12 ASN CA C 13 53.141 0.200 A 12 ASN CB C 13 38.944 0.200 A 13 ASP H H 1 8.113 0.020 A 13 ASP HA H 1 4.486 0.020 A 13 ASP HB2 H 1 2.672 0.020 A 13 ASP HB3 H 1 2.672 0.020 A 13 ASP C C 13 176.583 0.200 A 13 ASP CA C 13 54.474 0.200 A 13 ASP CB C 13 41.162 0.200 A 13 ASP N N 15 120.666 0.200 A 14 SER H H 1 8.236 0.020 A 14 SER HA H 1 4.342 0.020 A 14 SER HB2 H 1 3.872 0.020 A 14 SER HB3 H 1 3.872 0.020 A 14 SER C C 13 174.917 0.200 A 14 SER CA C 13 59.070 0.200 A 14 SER CB C 13 63.372 0.200 A 14 SER N N 15 116.073 0.200 A 15 ARG H H 1 8.196 0.020 A 15 ARG HA H 1 4.220 0.020 A 15 ARG HBy H 1 1.796 0.020 A 15 ARG HBx H 1 1.665 0.020 A 15 ARG HD2 H 1 3.091 0.020 A 15 ARG HD3 H 1 3.091 0.020 A 15 ARG HG2 H 1 1.532 0.020 A 15 ARG HG3 H 1 1.532 0.020 A 15 ARG C C 13 176.700 0.200 A 15 ARG CA C 13 56.466 0.200 A 15 ARG CB C 13 30.506 0.200 A 15 ARG CD C 13 43.105 0.200 A 15 ARG CG C 13 26.871 0.200 A 15 ARG N N 15 121.678 0.200 A 16 GLY H H 1 8.147 0.020 A 16 GLY HA2 H 1 3.801 0.020 A 16 GLY HA3 H 1 3.801 0.020 A 16 GLY C C 13 173.653 0.200 A 16 GLY CA C 13 45.372 0.200 A 16 GLY N N 15 108.307 0.200 A 17 ASN H H 1 8.128 0.020 A 17 ASN HA H 1 4.536 0.020 A 17 ASN HBy H 1 2.601 0.020 A 17 ASN HBx H 1 2.517 0.020 A 17 ASN HD21 H 1 7.379 0.020 A 17 ASN C C 13 175.542 0.200 A 17 ASN CA C 13 52.867 0.200 A 17 ASN CB C 13 38.759 0.200 A 17 ASN N N 15 118.377 0.200 A 18 TYR H H 1 7.986 0.020 A 18 TYR HA H 1 4.419 0.020 A 18 TYR HB2 H 1 2.800 0.020 A 18 TYR HB3 H 1 2.800 0.020 A 18 TYR HD1 H 1 6.861 0.020 A 18 TYR HD2 H 1 6.861 0.020 A 18 TYR HE1 H 1 6.697 0.020 A 18 TYR HE2 H 1 6.697 0.020 A 18 TYR C C 13 175.293 0.200 A 18 TYR CA C 13 58.107 0.200 A 18 TYR CB C 13 38.623 0.200 A 18 TYR CD1 C 13 133.207 0.200 A 18 TYR CE1 C 13 118.051 0.200 A 18 TYR N N 15 120.189 0.200 A 19 TRP H H 1 7.860 0.020 A 19 TRP HA H 1 4.591 0.020 A 19 TRP HBy H 1 3.199 0.020 A 19 TRP HBx H 1 3.126 0.020 A 19 TRP HD1 H 1 7.115 0.020 A 19 TRP HE1 H 1 10.061 0.020 A 19 TRP HH2 H 1 7.140 0.020 A 19 TRP HZ2 H 1 7.402 0.020 A 19 TRP HZ3 H 1 7.475 0.020 A 19 TRP C C 13 175.879 0.200 A 19 TRP CA C 13 57.295 0.200 A 19 TRP CB C 13 29.568 0.200 A 19 TRP CD1 C 13 127.222 0.200 A 19 TRP CH2 C 13 124.561 0.200 A 19 TRP CZ2 C 13 114.605 0.200 A 19 TRP CZ3 C 13 120.820 0.200 A 19 TRP N N 15 121.773 0.200 A 19 TRP NE1 N 15 129.395 0.200 A 20 SER H H 1 7.887 0.020 A 20 SER HA H 1 4.295 0.020 A 20 SER HBy H 1 3.718 0.020 A 20 SER HBx H 1 3.597 0.020 A 20 SER C C 13 173.887 0.200 A 20 SER CA C 13 58.341 0.200 A 20 SER CB C 13 63.937 0.200 A 20 SER N N 15 116.801 0.200 A 21 ASP H H 1 8.106 0.020 A 21 ASP HA H 1 4.502 0.020 A 21 ASP HBy H 1 2.577 0.020 A 21 ASP HBx H 1 2.502 0.020 A 21 ASP C C 13 175.762 0.200 A 21 ASP CA C 13 54.474 0.200 A 21 ASP CB C 13 40.819 0.200 A 21 ASP N N 15 121.712 0.200 A 22 TYR H H 1 7.935 0.020 A 22 TYR HA H 1 4.453 0.020 A 22 TYR HBy H 1 2.947 0.020 A 22 TYR HBx H 1 2.892 0.020 A 22 TYR HD1 H 1 7.049 0.020 A 22 TYR HD2 H 1 7.049 0.020 A 22 TYR HE1 H 1 6.783 0.020 A 22 TYR HE2 H 1 6.783 0.020 A 22 TYR C C 13 175.059 0.200 A 22 TYR CA C 13 57.990 0.200 A 22 TYR CB C 13 38.631 0.200 A 22 TYR CD1 C 13 133.202 0.200 A 22 TYR CE1 C 13 118.172 0.200 A 22 TYR N N 15 119.893 0.200 A 23 GLU H H 1 8.236 0.020 A 23 GLU HA H 1 4.187 0.020 A 23 GLU HBy H 1 1.971 0.020 A 23 GLU HBx H 1 1.830 0.020 A 23 GLU HG2 H 1 2.168 0.020 A 23 GLU HG3 H 1 2.168 0.020 A 23 GLU C C 13 176.465 0.200 A 23 GLU CA C 13 56.583 0.200 A 23 GLU CB C 13 30.193 0.200 A 23 GLU CG C 13 36.169 0.200 A 23 GLU N N 15 123.349 0.200 A 24 GLY H H 1 7.860 0.020 A 24 GLY HA2 H 1 3.905 0.020 A 24 GLY HA3 H 1 3.905 0.020 A 24 GLY C C 13 173.887 0.200 A 24 GLY CA C 13 45.349 0.200 A 24 GLY N N 15 109.586 0.200 A 25 SER H H 1 8.147 0.020 A 25 SER HA H 1 4.453 0.020 A 25 SER HBy H 1 3.838 0.020 A 25 SER HBx H 1 3.764 0.020 A 25 SER C C 13 174.239 0.200 A 25 SER CA C 13 58.224 0.200 A 25 SER CB C 13 63.945 0.200 A 25 SER N N 15 115.224 0.200 A 26 ASP H H 1 8.476 0.020 A 26 ASP HA H 1 4.610 0.020 A 26 ASP HBy H 1 2.662 0.020 A 26 ASP HBx H 1 2.643 0.020 A 26 ASP C C 13 176.465 0.200 A 26 ASP CA C 13 54.357 0.200 A 26 ASP CB C 13 41.132 0.200 A 26 ASP N N 15 122.500 0.200 A 27 GLU H H 1 8.407 0.020 A 27 GLU HA H 1 4.213 0.020 A 27 GLU HBy H 1 2.028 0.020 A 27 GLU HBx H 1 1.893 0.020 A 27 GLU HG2 H 1 2.220 0.020 A 27 GLU HG3 H 1 2.220 0.020 A 27 GLU C C 13 176.465 0.200 A 27 GLU CA C 13 56.935 0.200 A 27 GLU CB C 13 29.881 0.200 A 27 GLU CG C 13 36.169 0.200 A 27 GLU N N 15 121.166 0.200 A 28 ASN H H 1 8.414 0.020 A 28 ASN HA H 1 4.718 0.020 A 28 ASN HBy H 1 2.815 0.020 A 28 ASN HBx H 1 2.743 0.020 A 28 ASN HD21 H 1 7.619 0.020 A 28 ASN HD22 H 1 6.896 0.020 A 28 ASN C C 13 175.762 0.200 A 28 ASN CA C 13 53.419 0.200 A 28 ASN CB C 13 39.256 0.200 A 28 ASN N N 15 118.923 0.200 A 28 ASN ND2 N 15 113.366 0.200 A 29 GLY H H 1 8.270 0.020 A 29 GLY HA2 H 1 3.938 0.020 A 29 GLY HA3 H 1 3.938 0.020 A 29 GLY C C 13 174.121 0.200 A 29 GLY CA C 13 45.621 0.200 A 29 GLY N N 15 109.343 0.200 A 30 ASP H H 1 8.298 0.020 A 30 ASP HA H 1 4.585 0.020 A 30 ASP HB2 H 1 2.660 0.020 A 30 ASP HB3 H 1 2.660 0.020 A 30 ASP C C 13 176.934 0.200 A 30 ASP CA C 13 54.474 0.200 A 30 ASP CB C 13 41.132 0.200 A 30 ASP N N 15 120.257 0.200 A 31 GLY H H 1 8.407 0.020 A 31 GLY HA2 H 1 3.905 0.020 A 31 GLY HA3 H 1 3.905 0.020 A 31 GLY C C 13 174.356 0.200 A 31 GLY CA C 13 45.538 0.200 A 31 GLY N N 15 109.222 0.200 A 32 ILE H H 1 7.983 0.020 A 32 ILE HA H 1 4.137 0.020 A 32 ILE HB H 1 1.854 0.020 A 32 ILE HD1% H 1 0.813 0.020 A 32 ILE HG1y H 1 1.394 0.020 A 32 ILE HG1x H 1 1.112 0.020 A 32 ILE HG2% H 1 0.872 0.020 A 32 ILE C C 13 176.934 0.200 A 32 ILE CA C 13 61.388 0.200 A 32 ILE CB C 13 38.631 0.200 A 32 ILE CD1 C 13 12.850 0.200 A 32 ILE CG1 C 13 27.166 0.200 A 32 ILE CG2 C 13 17.425 0.200 A 32 ILE N N 15 119.772 0.200 A 33 GLY H H 1 8.455 0.020 A 33 GLY HA2 H 1 3.921 0.020 A 33 GLY HA3 H 1 3.921 0.020 A 33 GLY C C 13 174.004 0.200 A 33 GLY CA C 13 45.220 0.200 A 33 GLY N N 15 112.435 0.200 A 34 ASP H H 1 8.224 0.020 A 34 ASP HA H 1 4.594 0.020 A 34 ASP HBy H 1 2.668 0.020 A 34 ASP HBx H 1 2.626 0.020 A 34 ASP C C 13 176.700 0.200 A 34 ASP CA C 13 54.474 0.200 A 34 ASP CB C 13 41.132 0.200 A 34 ASP N N 15 120.863 0.200 A 35 SER H H 1 8.284 0.020 A 35 SER HA H 1 4.345 0.020 A 35 SER HBy H 1 3.858 0.020 A 35 SER HBx H 1 3.823 0.020 A 35 SER C C 13 174.473 0.200 A 35 SER CA C 13 58.752 0.200 A 35 SER CB C 13 63.608 0.200 A 35 SER N N 15 116.437 0.200 A 36 ALA H H 1 8.236 0.020 A 36 ALA HA H 1 4.195 0.020 A 36 ALA HB% H 1 1.229 0.020 A 36 ALA C C 13 177.403 0.200 A 36 ALA CA C 13 52.833 0.200 A 36 ALA CB C 13 18.910 0.200 A 36 ALA N N 15 125.411 0.200 A 37 TYR H H 1 7.866 0.020 A 37 TYR HA H 1 4.494 0.020 A 37 TYR HBy H 1 3.037 0.020 A 37 TYR HBx H 1 2.866 0.020 A 37 TYR HD1 H 1 7.066 0.020 A 37 TYR HD2 H 1 7.066 0.020 A 37 TYR C C 13 175.293 0.200 A 37 TYR CA C 13 57.521 0.200 A 37 TYR CB C 13 38.623 0.200 A 37 TYR CD1 C 13 133.191 0.200 A 37 TYR N N 15 118.317 0.200 A 38 ALA H H 1 7.942 0.020 A 38 ALA HA H 1 4.278 0.020 A 38 ALA HB% H 1 1.298 0.020 A 38 ALA C C 13 177.016 0.200 A 38 ALA CA C 13 52.247 0.200 A 38 ALA CB C 13 19.402 0.200 A 38 ALA N N 15 125.350 0.200 A 39 VAL H H 1 7.969 0.020 A 39 VAL HA H 1 4.023 0.020 A 39 VAL HB H 1 1.986 0.020 A 39 VAL HG1% H 1 0.881 0.020 A 39 VAL HG2% H 1 0.881 0.020 A 39 VAL C C 13 175.528 0.200 A 39 VAL CA C 13 62.091 0.200 A 39 VAL CB C 13 32.602 0.200 A 39 VAL CG1 C 13 20.672 0.200 A 39 VAL N N 15 119.226 0.200 A 40 ASN H H 1 8.483 0.020 A 40 ASN HA H 1 4.947 0.020 A 40 ASN HBy H 1 2.842 0.020 A 40 ASN HBx H 1 2.690 0.020 A 40 ASN HD2y H 1 7.626 0.020 A 40 ASN HD2x H 1 6.953 0.020 A 40 ASN C C 13 173.653 0.200 A 40 ASN CA C 13 51.075 0.200 A 40 ASN CB C 13 38.761 0.200 A 40 ASN N N 15 123.297 0.200 A 40 ASN ND2 N 15 112.874 0.200 A 41 PRO HA H 1 4.361 0.020 A 41 PRO HBy H 1 2.236 0.020 A 41 PRO HBx H 1 1.921 0.020 A 41 PRO HD2 H 1 3.762 0.020 A 41 PRO HD3 H 1 3.762 0.020 A 41 PRO HG2 H 1 1.973 0.020 A 41 PRO HG3 H 1 1.973 0.020 A 41 PRO C C 13 177.065 0.200 A 41 PRO CA C 13 63.446 0.200 A 41 PRO CB C 13 32.069 0.200 A 41 PRO CD C 13 50.632 0.200 A 41 PRO CG C 13 27.166 0.200 A 42 GLU H H 1 8.318 0.020 A 42 GLU HA H 1 4.220 0.020 A 42 GLU HBy H 1 2.045 0.020 A 42 GLU HBx H 1 1.896 0.020 A 42 GLU HG2 H 1 2.222 0.020 A 42 GLU HG3 H 1 2.222 0.020 A 42 GLU C C 13 176.583 0.200 A 42 GLU CA C 13 56.583 0.200 A 42 GLU CB C 13 29.881 0.200 A 42 GLU CG C 13 36.169 0.200 A 42 GLU N N 15 119.711 0.200 A 43 ALA H H 1 8.086 0.020 A 43 ALA HA H 1 4.204 0.020 A 43 ALA HB% H 1 1.389 0.020 A 43 ALA C C 13 178.223 0.200 A 43 ALA CA C 13 52.925 0.200 A 43 ALA CB C 13 18.943 0.200 A 43 ALA N N 15 124.562 0.200 A 44 GLY H H 1 8.312 0.020 A 44 GLY HA2 H 1 3.938 0.020 A 44 GLY HA3 H 1 3.938 0.020 A 44 GLY C C 13 174.239 0.200 A 44 GLY CA C 13 45.316 0.200 A 44 GLY N N 15 108.009 0.200 A 45 SER H H 1 8.100 0.020 A 45 SER HA H 1 4.428 0.020 A 45 SER HB2 H 1 3.855 0.020 A 45 SER HB3 H 1 3.855 0.020 A 45 SER C C 13 174.825 0.200 A 45 SER CA C 13 58.458 0.200 A 45 SER CB C 13 63.889 0.200 A 45 SER N N 15 115.229 0.200 A 46 MET H H 1 8.421 0.020 A 46 MET HA H 1 4.389 0.020 A 46 MET HB2 H 1 1.937 0.020 A 46 MET HB3 H 1 1.937 0.020 A 46 MET HG2 H 1 2.152 0.020 A 46 MET HG3 H 1 2.152 0.020 A 46 MET C C 13 175.879 0.200 A 46 MET CA C 13 55.407 0.200 A 46 MET CB C 13 32.694 0.200 A 46 MET CG C 13 31.889 0.200 A 46 MET N N 15 121.955 0.200 A 52 MET HA H 1 4.378 0.020 A 52 MET HB2 H 1 1.937 0.020 A 52 MET HB3 H 1 1.937 0.020 A 52 MET C C 13 176.010 0.200 A 52 MET CA C 13 55.507 0.200 A 52 MET CB C 13 32.694 0.200 A 53 GLU H H 1 8.277 0.020 A 53 GLU HA H 1 4.154 0.020 A 53 GLU HBy H 1 1.888 0.020 A 53 GLU HBx H 1 1.838 0.020 A 53 GLU C C 13 176.114 0.200 A 53 GLU CA C 13 56.818 0.200 A 53 GLU CB C 13 30.163 0.200 A 53 GLU N N 15 121.409 0.200 A 54 TYR H H 1 8.086 0.020 A 54 TYR HA H 1 4.502 0.020 A 54 TYR HBy H 1 2.979 0.020 A 54 TYR HBx H 1 2.884 0.020 A 54 TYR HD1 H 1 7.042 0.020 A 54 TYR HD2 H 1 7.042 0.020 A 54 TYR C C 13 175.528 0.200 A 54 TYR CA C 13 57.872 0.200 A 54 TYR CB C 13 38.631 0.200 A 54 TYR CD1 C 13 133.141 0.200 A 54 TYR N N 15 120.494 0.200 A 55 LEU H H 1 7.983 0.020 A 55 LEU HA H 1 4.234 0.020 A 55 LEU HBy H 1 1.495 0.020 A 55 LEU HBx H 1 1.410 0.020 A 55 LEU HG H 1 1.395 0.020 A 55 LEU C C 13 176.817 0.200 A 55 LEU CA C 13 55.177 0.200 A 55 LEU CB C 13 42.382 0.200 A 55 LEU CG C 13 26.575 0.200 A 55 LEU N N 15 123.349 0.200 A 59 PRO HA H 1 4.369 0.020 A 59 PRO HBy H 1 1.864 0.020 A 59 PRO HBx H 1 1.747 0.020 A 59 PRO HDy H 1 3.764 0.020 A 59 PRO HDx H 1 3.670 0.020 A 59 PRO HG2 H 1 1.966 0.020 A 59 PRO HG3 H 1 1.966 0.020 A 59 PRO C C 13 176.348 0.200 A 59 PRO CA C 13 62.976 0.200 A 59 PRO CB C 13 31.775 0.200 A 59 PRO CD C 13 50.632 0.200 A 59 PRO CG C 13 27.166 0.200 A 60 VAL H H 1 8.099 0.020 A 60 VAL HA H 1 3.991 0.020 A 60 VAL HB H 1 1.904 0.020 A 60 VAL HG1% H 1 0.879 0.020 A 60 VAL HG2% H 1 0.790 0.020 A 60 VAL C C 13 175.528 0.200 A 60 VAL CA C 13 62.326 0.200 A 60 VAL CB C 13 32.381 0.200 A 60 VAL CG1 C 13 20.893 0.200 A 60 VAL CG2 C 13 20.690 0.200 A 60 VAL N N 15 120.924 0.200 A 61 LEU H H 1 8.428 0.020 A 61 LEU HA H 1 4.707 0.020 A 61 LEU HB2 H 1 1.543 0.020 A 61 LEU HB3 H 1 1.543 0.020 A 61 LEU HD1% H 1 0.899 0.020 A 61 LEU HD2% H 1 0.834 0.020 A 61 LEU HG H 1 1.653 0.020 A 61 LEU C C 13 174.473 0.200 A 61 LEU CA C 13 52.247 0.200 A 61 LEU CB C 13 41.236 0.200 A 61 LEU CD1 C 13 24.804 0.200 A 61 LEU CD2 C 13 23.115 0.200 A 61 LEU CG C 13 27.018 0.200 A 61 LEU N N 15 128.200 0.200 A 62 PRO HA H 1 4.818 0.020 A 62 PRO HB2 H 1 1.910 0.020 A 62 PRO HB3 H 1 1.501 0.020 A 62 PRO HG2 H 1 2.013 0.020 A 62 PRO HG3 H 1 2.013 0.020 A 62 PRO C C 13 175.424 0.200 A 62 PRO CA C 13 62.326 0.200 A 62 PRO CB C 13 31.788 0.200 A 62 PRO CD C 13 50.632 0.200 A 62 PRO CG C 13 27.166 0.200 A 63 THR H H 1 8.296 0.020 A 63 THR HA H 1 4.643 0.020 A 63 THR HB H 1 3.805 0.020 A 63 THR HG2% H 1 1.105 0.020 A 63 THR C C 13 174.356 0.200 A 63 THR CA C 13 60.802 0.200 A 63 THR CB C 13 71.192 0.200 A 63 THR CG2 C 13 21.410 0.200 A 63 THR N N 15 114.766 0.200 A 64 ALA H H 1 10.188 0.020 A 64 ALA HA H 1 4.590 0.020 A 64 ALA HB% H 1 1.030 0.020 A 64 ALA C C 13 177.183 0.200 A 64 ALA CA C 13 50.723 0.200 A 64 ALA CB C 13 19.025 0.200 A 64 ALA N N 15 130.412 0.200 A 65 ARG H H 1 8.668 0.020 A 65 ARG HA H 1 4.419 0.020 A 65 ARG HB2 H 1 1.426 0.020 A 65 ARG HB3 H 1 1.426 0.020 A 65 ARG HD2 H 1 3.094 0.020 A 65 ARG HD3 H 1 3.094 0.020 A 65 ARG HGy H 1 1.437 0.020 A 65 ARG HGx H 1 1.407 0.020 A 65 ARG C C 13 173.666 0.200 A 65 ARG CA C 13 55.997 0.200 A 65 ARG CB C 13 33.624 0.200 A 65 ARG CD C 13 43.474 0.200 A 65 ARG CG C 13 27.535 0.200 A 65 ARG N N 15 123.713 0.200 A 66 PHE H H 1 8.652 0.020 A 66 PHE HA H 1 5.768 0.020 A 66 PHE HB2 H 1 3.718 0.020 A 66 PHE HB3 H 1 3.359 0.020 A 66 PHE HD1 H 1 7.160 0.020 A 66 PHE HD2 H 1 7.160 0.020 A 66 PHE HE1 H 1 7.246 0.020 A 66 PHE HE2 H 1 7.246 0.020 A 66 PHE C C 13 173.535 0.200 A 66 PHE CA C 13 56.721 0.200 A 66 PHE CB C 13 42.937 0.200 A 66 PHE CD1 C 13 133.250 0.200 A 66 PHE N N 15 118.286 0.200 A 67 THR H H 1 9.106 0.020 A 67 THR HA H 1 4.924 0.020 A 67 THR HB H 1 4.343 0.020 A 67 THR HG1 H 1 5.264 0.020 A 67 THR HG2% H 1 1.141 0.020 A 67 THR C C 13 173.418 0.200 A 67 THR CA C 13 59.416 0.200 A 67 THR CB C 13 71.822 0.200 A 67 THR CG2 C 13 21.189 0.200 A 67 THR N N 15 110.181 0.200 A 68 SER H H 1 8.250 0.020 A 68 SER HA H 1 5.273 0.020 A 68 SER HBy H 1 3.677 0.020 A 68 SER HBx H 1 3.598 0.020 A 68 SER C C 13 173.887 0.200 A 68 SER CA C 13 56.551 0.200 A 68 SER CB C 13 66.758 0.200 A 68 SER N N 15 115.103 0.200 A 69 ASP H H 1 8.983 0.020 A 69 ASP HA H 1 4.270 0.020 A 69 ASP HBy H 1 2.734 0.020 A 69 ASP HBx H 1 2.687 0.020 A 69 ASP C C 13 176.114 0.200 A 69 ASP CA C 13 56.413 0.200 A 69 ASP CB C 13 39.170 0.200 A 69 ASP N N 15 122.985 0.200 A 70 ILE H H 1 7.640 0.020 A 70 ILE HA H 1 4.513 0.020 A 70 ILE HB H 1 1.893 0.020 A 70 ILE HD1% H 1 0.865 0.020 A 70 ILE HG1y H 1 1.238 0.020 A 70 ILE HG1x H 1 1.118 0.020 A 70 ILE HG2% H 1 0.878 0.020 A 70 ILE C C 13 175.176 0.200 A 70 ILE CA C 13 59.857 0.200 A 70 ILE CB C 13 42.900 0.200 A 70 ILE CD1 C 13 14.326 0.200 A 70 ILE CG1 C 13 26.644 0.200 A 70 ILE CG2 C 13 18.458 0.200 A 70 ILE N N 15 118.014 0.200 A 71 THR H H 1 8.661 0.020 A 71 THR HA H 1 4.657 0.020 A 71 THR HB H 1 4.642 0.020 A 71 THR HG2% H 1 1.050 0.020 A 71 THR C C 13 173.315 0.200 A 71 THR CA C 13 61.146 0.200 A 71 THR CB C 13 70.321 0.200 A 71 THR CG2 C 13 21.853 0.200 A 71 THR N N 15 108.616 0.200 A 72 GLU H H 1 7.421 0.020 A 72 GLU HA H 1 5.576 0.020 A 72 GLU HBy H 1 1.971 0.020 A 72 GLU HBx H 1 1.854 0.020 A 72 GLU HGy H 1 2.070 0.020 A 72 GLU HGx H 1 2.001 0.020 A 72 GLU C C 13 174.356 0.200 A 72 GLU CA C 13 54.210 0.200 A 72 GLU CB C 13 33.226 0.200 A 72 GLU CG C 13 35.949 0.200 A 72 GLU N N 15 119.137 0.200 A 73 GLY H H 1 7.853 0.020 A 73 GLY HAy H 1 4.046 0.020 A 73 GLY HAx H 1 3.730 0.020 A 73 GLY C C 13 171.542 0.200 A 73 GLY CA C 13 44.255 0.200 A 73 GLY N N 15 107.645 0.200 A 74 PHE H H 1 8.455 0.020 A 74 PHE HA H 1 4.705 0.020 A 74 PHE HBy H 1 2.925 0.020 A 74 PHE HBx H 1 2.640 0.020 A 74 PHE HD1 H 1 7.042 0.020 A 74 PHE HD2 H 1 7.042 0.020 A 74 PHE C C 13 175.293 0.200 A 74 PHE CA C 13 58.099 0.200 A 74 PHE CB C 13 39.243 0.200 A 74 PHE CD1 C 13 133.277 0.200 A 74 PHE N N 15 119.340 0.200 A 75 ALA H H 1 8.948 0.020 A 75 ALA HA H 1 4.432 0.020 A 75 ALA HB% H 1 1.170 0.020 A 75 ALA C C 13 176.348 0.200 A 75 ALA CA C 13 49.945 0.200 A 75 ALA CB C 13 16.959 0.200 A 75 ALA N N 15 123.592 0.200 A 77 LEU H H 1 8.428 0.020 A 77 LEU HA H 1 4.585 0.020 A 77 LEU HB2 H 1 1.803 0.020 A 77 LEU HB3 H 1 1.803 0.020 A 77 LEU HD1% H 1 0.652 0.020 A 77 LEU HD2% H 1 0.652 0.020 A 77 LEU HG H 1 0.402 0.020 A 77 LEU C C 13 175.073 0.200 A 77 LEU CA C 13 53.653 0.200 A 77 LEU CB C 13 45.507 0.200 A 77 LEU CD1 C 13 23.147 0.200 A 77 LEU CG C 13 26.280 0.200 A 77 LEU N N 15 129.927 0.200 A 78 SER H H 1 8.962 0.020 A 78 SER HA H 1 5.063 0.020 A 78 SER HBy H 1 3.556 0.020 A 78 SER HBx H 1 3.422 0.020 A 78 SER C C 13 172.482 0.200 A 78 SER CA C 13 58.024 0.200 A 78 SER CB C 13 63.130 0.200 A 78 SER N N 15 125.653 0.200 A 79 VAL H H 1 8.887 0.020 A 79 VAL HA H 1 4.055 0.020 A 79 VAL HB H 1 1.776 0.020 A 79 VAL HG1% H 1 0.282 0.020 A 79 VAL HG2% H 1 0.776 0.020 A 79 VAL C C 13 172.846 0.200 A 79 VAL CA C 13 60.935 0.200 A 79 VAL CB C 13 35.543 0.200 A 79 VAL CG1 C 13 22.381 0.200 A 79 VAL CG2 C 13 21.181 0.200 A 79 VAL N N 15 127.059 0.200 A 80 ARG HA H 1 4.154 0.020 A 80 ARG HB2 H 1 1.971 0.020 A 80 ARG HB3 H 1 1.971 0.020 A 80 ARG C C 13 176.592 0.200 A 80 ARG CA C 13 57.070 0.200 A 80 ARG CB C 13 30.193 0.200 A 81 PHE H H 1 8.469 0.020 A 81 PHE HA H 1 4.958 0.020 A 81 PHE HBy H 1 3.274 0.020 A 81 PHE HBx H 1 2.643 0.020 A 81 PHE C C 13 176.714 0.200 A 81 PHE CA C 13 52.898 0.200 A 81 PHE CB C 13 41.132 0.200 A 81 PHE N N 15 125.593 0.200 A 82 LYS H H 1 8.668 0.020 A 82 LYS HA H 1 4.760 0.020 A 82 LYS HBy H 1 1.783 0.020 A 82 LYS HBx H 1 1.672 0.020 A 82 LYS C C 13 174.642 0.200 A 82 LYS CA C 13 56.935 0.200 A 82 LYS CB C 13 35.702 0.200 A 82 LYS N N 15 118.680 0.200 A 83 ASP H H 1 8.435 0.020 A 83 ASP HA H 1 4.951 0.020 A 83 ASP HBy H 1 2.996 0.020 A 83 ASP HBx H 1 2.992 0.020 A 83 ASP C C 13 176.596 0.200 A 83 ASP CA C 13 55.294 0.200 A 83 ASP CB C 13 42.294 0.200 A 83 ASP N N 15 123.834 0.200 A 84 PHE H H 1 9.291 0.020 A 84 PHE HA H 1 4.893 0.020 A 84 PHE HBy H 1 3.495 0.020 A 84 PHE HBx H 1 2.362 0.020 A 84 PHE HD1 H 1 7.281 0.020 A 84 PHE HD2 H 1 7.281 0.020 A 84 PHE C C 13 175.307 0.200 A 84 PHE CA C 13 57.638 0.200 A 84 PHE CB C 13 39.732 0.200 A 84 PHE CD1 C 13 131.673 0.200 A 84 PHE N N 15 128.927 0.200 A 85 SER H H 1 9.067 0.020 A 85 SER HA H 1 4.478 0.020 A 85 SER HB2 H 1 3.907 0.020 A 85 SER HB3 H 1 3.907 0.020 A 85 SER HG H 1 6.825 0.020 A 85 SER C C 13 173.879 0.200 A 85 SER CA C 13 61.296 0.200 A 85 SER CB C 13 62.593 0.200 A 85 SER N N 15 119.832 0.200 A 86 GLU H H 1 8.531 0.020 A 86 GLU HA H 1 4.671 0.020 A 86 GLU HBy H 1 2.041 0.020 A 86 GLU HBx H 1 1.819 0.020 A 86 GLU HG2 H 1 2.253 0.020 A 86 GLU HG3 H 1 2.253 0.020 A 86 GLU C C 13 175.528 0.200 A 86 GLU CA C 13 54.708 0.200 A 86 GLU CB C 13 33.192 0.200 A 86 GLU CG C 13 36.242 0.200 A 86 GLU N N 15 120.735 0.200 A 87 ASN H H 1 9.024 0.020 A 87 ASN HA H 1 4.164 0.020 A 87 ASN HB2 H 1 2.837 0.020 A 87 ASN HB3 H 1 2.626 0.020 A 87 ASN HD21 H 1 7.051 0.020 A 87 ASN HD22 H 1 7.462 0.020 A 87 ASN C C 13 172.025 0.200 A 87 ASN CA C 13 53.934 0.200 A 87 ASN CB C 13 36.822 0.200 A 87 ASN N N 15 115.064 0.200 A 87 ASN ND2 N 15 116.611 0.200 A 88 ALA H H 1 8.134 0.020 A 88 ALA HA H 1 4.520 0.020 A 88 ALA HB% H 1 1.284 0.020 A 88 ALA C C 13 177.403 0.200 A 88 ALA CA C 13 50.875 0.200 A 88 ALA CB C 13 21.868 0.200 A 88 ALA N N 15 118.014 0.200 A 89 THR H H 1 9.140 0.020 A 89 THR HA H 1 4.477 0.020 A 89 THR HB H 1 4.444 0.020 A 89 THR HG2% H 1 1.166 0.020 A 89 THR C C 13 177.403 0.200 A 89 THR CA C 13 61.416 0.200 A 89 THR CB C 13 69.391 0.200 A 89 THR CG2 C 13 22.200 0.200 A 89 THR N N 15 111.708 0.200 A 90 SER H H 1 8.010 0.020 A 90 SER HA H 1 4.683 0.020 A 90 SER HB2 H 1 3.739 0.020 A 90 SER HB3 H 1 3.739 0.020 A 90 SER C C 13 172.129 0.200 A 90 SER CA C 13 57.902 0.200 A 90 SER CB C 13 65.490 0.200 A 90 SER N N 15 116.498 0.200 A 91 ARG H H 1 8.359 0.020 A 91 ARG HA H 1 5.162 0.020 A 91 ARG HB2 H 1 1.525 0.020 A 91 ARG HB3 H 1 1.188 0.020 A 91 ARG HDy H 1 3.121 0.020 A 91 ARG HDx H 1 2.517 0.020 A 91 ARG HGy H 1 1.472 0.020 A 91 ARG HGx H 1 0.856 0.020 A 91 ARG C C 13 173.301 0.200 A 91 ARG CA C 13 53.951 0.200 A 91 ARG CB C 13 34.243 0.200 A 91 ARG CD C 13 42.810 0.200 A 91 ARG CG C 13 25.542 0.200 A 91 ARG N N 15 118.620 0.200 A 92 LEU H H 1 8.380 0.020 A 92 LEU HA H 1 4.459 0.020 A 92 LEU HBy H 1 1.612 0.020 A 92 LEU HBx H 1 1.250 0.020 A 92 LEU HDx% H 1 0.887 0.020 A 92 LEU HDy% H 1 0.769 0.020 A 92 LEU HG H 1 1.231 0.020 A 92 LEU C C 13 174.121 0.200 A 92 LEU CA C 13 54.760 0.200 A 92 LEU CB C 13 45.799 0.200 A 92 LEU CD1 C 13 26.047 0.200 A 92 LEU CD2 C 13 22.951 0.200 A 92 LEU CG C 13 27.092 0.200 A 92 LEU N N 15 122.650 0.200 A 93 TRP H H 1 9.058 0.020 A 93 TRP HA H 1 4.630 0.020 A 93 TRP HB2 H 1 2.196 0.020 A 93 TRP HB3 H 1 2.196 0.020 A 93 TRP HD1 H 1 6.682 0.020 A 93 TRP HE1 H 1 10.251 0.020 A 93 TRP HH2 H 1 6.641 0.020 A 93 TRP HZ2 H 1 7.010 0.020 A 93 TRP C C 13 176.329 0.200 A 93 TRP CA C 13 55.203 0.200 A 93 TRP CB C 13 30.330 0.200 A 93 TRP CD1 C 13 126.942 0.200 A 93 TRP CH2 C 13 124.470 0.200 A 93 TRP CZ2 C 13 112.276 0.200 A 93 TRP CZ3 C 13 121.212 0.200 A 93 TRP N N 15 125.411 0.200 A 93 TRP NE1 N 15 129.047 0.200 A 94 MET H H 1 8.914 0.020 A 94 MET HA H 1 4.552 0.020 A 94 MET HBy H 1 2.128 0.020 A 94 MET HBx H 1 1.987 0.020 A 94 MET HG2 H 1 2.285 0.020 A 94 MET HG3 H 1 2.285 0.020 A 94 MET C C 13 175.637 0.200 A 94 MET CA C 13 54.357 0.200 A 94 MET CB C 13 34.004 0.200 A 94 MET CG C 13 31.248 0.200 A 94 MET N N 15 119.469 0.200 A 95 PHE H H 1 7.380 0.020 A 95 PHE HA H 1 4.489 0.020 A 95 PHE HB2 H 1 2.536 0.020 A 95 PHE HB3 H 1 2.536 0.020 A 95 PHE HD1 H 1 6.258 0.020 A 95 PHE HD2 H 1 6.258 0.020 A 95 PHE C C 13 172.704 0.200 A 95 PHE CA C 13 60.275 0.200 A 95 PHE CB C 13 38.453 0.200 A 95 PHE CD1 C 13 129.773 0.200 A 95 PHE N N 15 118.984 0.200 A 96 GLY H H 1 8.332 0.020 A 96 GLY HAy H 1 4.643 0.020 A 96 GLY HAx H 1 3.905 0.020 A 96 GLY C C 13 174.834 0.200 A 96 GLY CA C 13 46.153 0.200 A 96 GLY N N 15 102.370 0.200 A 97 ASP H H 1 8.510 0.020 A 97 ASP HA H 1 5.032 0.020 A 97 ASP HB2 H 1 2.600 0.020 A 97 ASP HB3 H 1 2.600 0.020 A 97 ASP C C 13 176.700 0.200 A 97 ASP CA C 13 52.130 0.200 A 97 ASP CB C 13 41.743 0.200 A 97 ASP N N 15 118.771 0.200 A 98 GLY HAy H 1 4.502 0.020 A 98 GLY HAx H 1 3.697 0.020 A 98 GLY C C 13 174.252 0.200 A 98 GLY CA C 13 44.882 0.200 A 99 ASN H H 1 8.325 0.020 A 99 ASN HA H 1 5.250 0.020 A 99 ASN HBy H 1 3.321 0.020 A 99 ASN HBx H 1 2.953 0.020 A 99 ASN HD2y H 1 7.582 0.020 A 99 ASN HD2x H 1 7.232 0.020 A 99 ASN C C 13 175.528 0.200 A 99 ASN CA C 13 53.386 0.200 A 99 ASN CB C 13 41.004 0.200 A 99 ASN N N 15 117.800 0.200 A 99 ASN ND2 N 15 116.342 0.200 A 100 THR H H 1 8.811 0.020 A 100 THR HA H 1 5.286 0.020 A 100 THR HB H 1 4.394 0.020 A 100 THR HG1 H 1 6.187 0.020 A 100 THR HG2% H 1 1.187 0.020 A 100 THR C C 13 174.121 0.200 A 100 THR CA C 13 59.935 0.200 A 100 THR CB C 13 73.343 0.200 A 100 THR CG2 C 13 21.336 0.200 A 100 THR N N 15 112.253 0.200 A 101 SER H H 1 7.983 0.020 A 101 SER HA H 1 4.768 0.020 A 101 SER HB2 H 1 4.768 0.020 A 101 SER HB3 H 1 4.768 0.020 A 101 SER C C 13 172.832 0.200 A 101 SER CA C 13 57.990 0.200 A 101 SER CB C 13 64.848 0.200 A 101 SER N N 15 110.980 0.200 A 102 ASP H H 1 8.387 0.020 A 102 ASP CA C 13 52.950 0.200 A 102 ASP CB C 13 41.162 0.200 A 102 ASP N N 15 123.955 0.200 A 104 PRO HA H 1 4.378 0.020 A 104 PRO HB2 H 1 2.137 0.020 A 104 PRO HB3 H 1 2.137 0.020 A 104 PRO C C 13 176.592 0.200 A 104 PRO CA C 13 65.217 0.200 A 104 PRO CB C 13 31.938 0.200 A 105 SER H H 1 7.886 0.020 A 105 SER C C 13 171.776 0.200 A 105 SER CA C 13 54.005 0.200 A 105 SER CB C 13 63.299 0.200 A 105 SER N N 15 109.050 0.200 A 109 THR HA H 1 4.594 0.020 A 109 THR HB H 1 3.025 0.020 A 109 THR HG2% H 1 -0.034 0.020 A 109 THR C C 13 171.556 0.200 A 109 THR CA C 13 60.923 0.200 A 109 THR CB C 13 69.258 0.200 A 109 THR CG2 C 13 20.913 0.200 A 110 PHE H H 1 8.832 0.020 A 110 PHE HA H 1 4.153 0.020 A 110 PHE HBy H 1 2.735 0.020 A 110 PHE HBx H 1 2.448 0.020 A 110 PHE HD1 H 1 6.470 0.020 A 110 PHE HD2 H 1 6.470 0.020 A 110 PHE HE1 H 1 7.335 0.020 A 110 PHE HE2 H 1 7.335 0.020 A 110 PHE HZ H 1 7.327 0.020 A 110 PHE C C 13 175.415 0.200 A 110 PHE CA C 13 56.012 0.200 A 110 PHE CB C 13 38.338 0.200 A 110 PHE CD1 C 13 132.868 0.200 A 110 PHE CE1 C 13 130.746 0.200 A 110 PHE CZ C 13 128.821 0.200 A 110 PHE N N 15 126.381 0.200 A 111 PHE H H 1 7.969 0.020 A 111 PHE HA H 1 3.847 0.020 A 111 PHE HBy H 1 3.083 0.020 A 111 PHE HBx H 1 2.743 0.020 A 111 PHE HD1 H 1 7.136 0.020 A 111 PHE HD2 H 1 7.136 0.020 A 111 PHE HE1 H 1 7.178 0.020 A 111 PHE HE2 H 1 7.178 0.020 A 111 PHE C C 13 174.707 0.200 A 111 PHE CA C 13 61.920 0.200 A 111 PHE CB C 13 40.276 0.200 A 111 PHE CD1 C 13 131.413 0.200 A 111 PHE CE1 C 13 129.864 0.200 A 111 PHE N N 15 122.500 0.200 A 112 ASN H H 1 8.010 0.020 A 112 ASN HA H 1 5.034 0.020 A 112 ASN HBy H 1 2.917 0.020 A 112 ASN HBx H 1 2.685 0.020 A 112 ASN HD2y H 1 7.813 0.020 A 112 ASN HD2x H 1 7.055 0.020 A 112 ASN C C 13 175.554 0.200 A 112 ASN CA C 13 51.661 0.200 A 112 ASN CB C 13 41.162 0.200 A 112 ASN N N 15 113.466 0.200 A 112 ASN ND2 N 15 113.816 0.200 A 113 GLU H H 1 9.387 0.020 A 113 GLU HA H 1 4.053 0.020 A 113 GLU HBy H 1 2.086 0.020 A 113 GLU HBx H 1 1.932 0.020 A 113 GLU HG2 H 1 2.366 0.020 A 113 GLU HG3 H 1 2.366 0.020 A 113 GLU C C 13 175.056 0.200 A 113 GLU CA C 13 56.481 0.200 A 113 GLU CB C 13 29.329 0.200 A 113 GLU CG C 13 35.373 0.200 A 113 GLU N N 15 124.077 0.200 A 114 GLY H H 1 9.092 0.020 A 114 GLY HAy H 1 4.003 0.020 A 114 GLY HAx H 1 3.764 0.020 A 114 GLY C C 13 170.488 0.200 A 114 GLY CA C 13 44.808 0.200 A 114 GLY N N 15 111.223 0.200 A 115 GLU H H 1 7.860 0.020 A 115 GLU HA H 1 4.985 0.020 A 115 GLU HBy H 1 1.753 0.020 A 115 GLU HBx H 1 1.730 0.020 A 115 GLU HGy H 1 2.114 0.020 A 115 GLU HGx H 1 1.888 0.020 A 115 GLU C C 13 175.176 0.200 A 115 GLU CA C 13 54.693 0.200 A 115 GLU CB C 13 31.563 0.200 A 115 GLU CG C 13 37.423 0.200 A 115 GLU N N 15 118.802 0.200 A 116 TYR H H 1 9.380 0.020 A 116 TYR HA H 1 4.707 0.020 A 116 TYR HBy H 1 3.343 0.020 A 116 TYR HBx H 1 2.343 0.020 A 116 TYR HD1 H 1 6.793 0.020 A 116 TYR HD2 H 1 6.793 0.020 A 116 TYR HE1 H 1 6.845 0.020 A 116 TYR HE2 H 1 6.845 0.020 A 116 TYR C C 13 174.121 0.200 A 116 TYR CA C 13 57.083 0.200 A 116 TYR CB C 13 41.162 0.200 A 116 TYR CD1 C 13 134.081 0.200 A 116 TYR CE1 C 13 117.026 0.200 A 116 TYR N N 15 125.077 0.200 A 117 ILE H H 1 8.805 0.020 A 117 ILE HA H 1 4.527 0.020 A 117 ILE HB H 1 1.927 0.020 A 117 ILE HD1% H 1 0.816 0.020 A 117 ILE HG1y H 1 1.522 0.020 A 117 ILE HG1x H 1 1.138 0.020 A 117 ILE HG2% H 1 0.776 0.020 A 117 ILE C C 13 174.945 0.200 A 117 ILE CA C 13 60.685 0.200 A 117 ILE CB C 13 36.892 0.200 A 117 ILE CD1 C 13 12.776 0.200 A 117 ILE CG1 C 13 27.375 0.200 A 117 ILE CG2 C 13 17.499 0.200 A 117 ILE N N 15 124.715 0.200 A 118 VAL H H 1 9.017 0.020 A 118 VAL HA H 1 4.643 0.020 A 118 VAL HB H 1 2.304 0.020 A 118 VAL HG1% H 1 0.589 0.020 A 118 VAL HG2% H 1 1.443 0.020 A 118 VAL C C 13 176.114 0.200 A 118 VAL CA C 13 60.919 0.200 A 118 VAL CB C 13 32.472 0.200 A 118 VAL CG1 C 13 20.009 0.200 A 118 VAL CG2 C 13 22.536 0.200 A 118 VAL N N 15 130.459 0.200 A 119 SER H H 1 9.003 0.020 A 119 SER HA H 1 5.539 0.020 A 119 SER HBy H 1 3.546 0.020 A 119 SER HBx H 1 3.504 0.020 A 119 SER C C 13 170.960 0.200 A 119 SER CA C 13 56.147 0.200 A 119 SER CB C 13 65.998 0.200 A 119 SER N N 15 120.257 0.200 A 120 LEU H H 1 8.661 0.020 A 120 LEU HA H 1 4.268 0.020 A 120 LEU HBy H 1 1.094 0.020 A 120 LEU HBx H 1 -0.091 0.020 A 120 LEU HD1% H 1 -1.061 0.020 A 120 LEU HD2% H 1 -1.061 0.020 A 120 LEU HG H 1 0.192 0.020 A 120 LEU C C 13 174.585 0.200 A 120 LEU CA C 13 52.661 0.200 A 120 LEU CB C 13 44.556 0.200 A 120 LEU CD1 C 13 19.639 0.200 A 120 LEU CG C 13 27.174 0.200 A 120 LEU N N 15 125.411 0.200 A 121 ILE H H 1 8.702 0.020 A 121 ILE HA H 1 4.646 0.020 A 121 ILE HB H 1 1.615 0.020 A 121 ILE HD1% H 1 0.746 0.020 A 121 ILE HG1y H 1 1.325 0.020 A 121 ILE HG1x H 1 0.995 0.020 A 121 ILE HG2% H 1 0.724 0.020 A 121 ILE C C 13 176.817 0.200 A 121 ILE CA C 13 59.859 0.200 A 121 ILE CB C 13 39.692 0.200 A 121 ILE CD1 C 13 14.400 0.200 A 121 ILE CG1 C 13 27.830 0.200 A 121 ILE CG2 C 13 17.794 0.200 A 121 ILE N N 15 125.896 0.200 A 122 VAL H H 1 8.879 0.020 A 122 VAL HA H 1 5.156 0.020 A 122 VAL HB H 1 2.120 0.020 A 122 VAL HG1% H 1 0.764 0.020 A 122 VAL HG2% H 1 0.626 0.020 A 122 VAL C C 13 174.707 0.200 A 122 VAL CA C 13 58.031 0.200 A 122 VAL CB C 13 34.012 0.200 A 122 VAL CG1 C 13 20.836 0.200 A 122 VAL CG2 C 13 17.935 0.200 A 122 VAL N N 15 119.689 0.200 A 123 SER H H 1 7.952 0.020 A 123 SER HA H 1 5.398 0.020 A 123 SER HB2 H 1 3.629 0.020 A 123 SER HB3 H 1 3.774 0.020 A 123 SER C C 13 173.418 0.200 A 123 SER CA C 13 56.836 0.200 A 123 SER CB C 13 66.704 0.200 A 123 SER N N 15 112.465 0.200 A 124 ASN H H 1 8.654 0.020 A 124 ASN HA H 1 5.029 0.020 A 124 ASN HB2 H 1 3.343 0.020 A 124 ASN HB3 H 1 3.343 0.020 A 124 ASN C C 13 174.956 0.200 A 124 ASN CA C 13 51.974 0.200 A 124 ASN CB C 13 39.027 0.200 A 124 ASN N N 15 121.130 0.200 A 125 GLU H H 1 9.120 0.020 A 125 GLU HA H 1 4.020 0.020 A 125 GLU HB2 H 1 2.012 0.020 A 125 GLU HB3 H 1 2.012 0.020 A 125 GLU HGy H 1 2.260 0.020 A 125 GLU HGx H 1 2.221 0.020 A 125 GLU C C 13 176.245 0.200 A 125 GLU CA C 13 58.789 0.200 A 125 GLU CB C 13 28.631 0.200 A 125 GLU CG C 13 35.449 0.200 A 125 GLU N N 15 117.468 0.200 A 126 ASN H H 1 8.401 0.020 A 126 ASN HA H 1 4.840 0.020 A 126 ASN HB2 H 1 2.726 0.020 A 126 ASN HB3 H 1 2.726 0.020 A 126 ASN HD2y H 1 7.949 0.020 A 126 ASN HD2x H 1 7.066 0.020 A 126 ASN C C 13 174.356 0.200 A 126 ASN CA C 13 54.696 0.200 A 126 ASN CB C 13 40.911 0.200 A 126 ASN N N 15 115.588 0.200 A 126 ASN ND2 N 15 116.130 0.200 A 127 ASP H H 1 8.150 0.020 A 127 ASP HA H 1 4.850 0.020 A 127 ASP HBy H 1 2.623 0.020 A 127 ASP HBx H 1 2.543 0.020 A 127 ASP C C 13 174.004 0.200 A 127 ASP CA C 13 53.834 0.200 A 127 ASP CB C 13 45.321 0.200 A 127 ASP N N 15 118.545 0.200 A 128 SER H H 1 9.314 0.020 A 128 SER HA H 1 5.480 0.020 A 128 SER HB2 H 1 3.681 0.020 A 128 SER HB3 H 1 3.681 0.020 A 128 SER C C 13 172.598 0.200 A 128 SER CA C 13 56.874 0.200 A 128 SER CB C 13 67.070 0.200 A 128 SER N N 15 112.920 0.200 A 129 ASP H H 1 9.055 0.020 A 129 ASP HA H 1 5.010 0.020 A 129 ASP HBy H 1 2.696 0.020 A 129 ASP HBx H 1 1.971 0.020 A 129 ASP C C 13 173.418 0.200 A 129 ASP CA C 13 53.888 0.200 A 129 ASP CB C 13 45.983 0.200 A 129 ASP N N 15 119.525 0.200 A 130 SER H H 1 7.750 0.020 A 130 SER HA H 1 5.792 0.020 A 130 SER HB2 H 1 3.655 0.020 A 130 SER HB3 H 1 3.655 0.020 A 130 SER C C 13 172.246 0.200 A 130 SER CA C 13 55.767 0.200 A 130 SER CB C 13 66.819 0.200 A 130 SER N N 15 114.315 0.200 A 131 ALA H H 1 8.566 0.020 A 131 ALA HA H 1 4.800 0.020 A 131 ALA HB% H 1 1.397 0.020 A 131 ALA C C 13 175.879 0.200 A 131 ALA CA C 13 51.253 0.200 A 131 ALA CB C 13 22.576 0.200 A 131 ALA N N 15 123.774 0.200 A 132 SER H H 1 8.585 0.020 A 132 SER HA H 1 6.316 0.020 A 132 SER HBy H 1 3.815 0.020 A 132 SER HBx H 1 3.659 0.020 A 132 SER C C 13 173.653 0.200 A 132 SER CA C 13 57.254 0.200 A 132 SER CB C 13 67.664 0.200 A 132 SER N N 15 113.435 0.200 A 133 VAL H H 1 9.307 0.020 A 133 VAL HA H 1 4.572 0.020 A 133 VAL HB H 1 2.189 0.020 A 133 VAL HG1% H 1 1.132 0.020 A 133 VAL HG2% H 1 1.132 0.020 A 133 VAL C C 13 172.481 0.200 A 133 VAL CA C 13 61.114 0.200 A 133 VAL CB C 13 36.071 0.200 A 133 VAL CG1 C 13 20.760 0.200 A 133 VAL N N 15 120.439 0.200 A 134 THR H H 1 8.092 0.020 A 134 THR HA H 1 5.188 0.020 A 134 THR HB H 1 3.953 0.020 A 134 THR HG2% H 1 1.027 0.020 A 134 THR C C 13 173.653 0.200 A 134 THR CA C 13 61.992 0.200 A 134 THR CB C 13 69.528 0.200 A 134 THR CG2 C 13 21.702 0.200 A 134 THR N N 15 120.196 0.200 A 135 ILE H H 1 9.495 0.020 A 135 ILE HA H 1 4.876 0.020 A 135 ILE HB H 1 1.731 0.020 A 135 ILE HD1% H 1 0.972 0.020 A 135 ILE HG12 H 1 1.420 0.020 A 135 ILE HG13 H 1 1.802 0.020 A 135 ILE HG2% H 1 0.273 0.020 A 135 ILE C C 13 175.073 0.200 A 135 ILE CA C 13 56.730 0.200 A 135 ILE CB C 13 38.064 0.200 A 135 ILE CD1 C 13 10.710 0.200 A 135 ILE CG1 C 13 27.830 0.200 A 135 ILE CG2 C 13 17.028 0.200 A 135 ILE N N 15 128.915 0.200 A 136 ARG H H 1 8.383 0.020 A 136 ARG HA H 1 4.947 0.020 A 136 ARG HB2 H 1 1.692 0.020 A 136 ARG HB3 H 1 1.692 0.020 A 136 ARG HD2 H 1 1.611 0.020 A 136 ARG HD3 H 1 1.611 0.020 A 136 ARG HGy H 1 1.570 0.020 A 136 ARG HGx H 1 1.350 0.020 A 136 ARG C C 13 172.715 0.200 A 136 ARG CA C 13 55.171 0.200 A 136 ARG CB C 13 32.103 0.200 A 136 ARG CD C 13 39.784 0.200 A 136 ARG CG C 13 28.125 0.200 A 136 ARG N N 15 126.441 0.200 A 137 ALA H H 1 8.948 0.020 A 137 ALA HA H 1 5.177 0.020 A 137 ALA HB% H 1 1.402 0.020 A 137 ALA C C 13 176.937 0.200 A 137 ALA CA C 13 49.251 0.200 A 137 ALA CB C 13 19.961 0.200 A 137 ALA N N 15 127.318 0.200 A 138 LEU H H 1 8.987 0.020 A 138 LEU HA H 1 4.577 0.020 A 138 LEU HBy H 1 1.505 0.020 A 138 LEU HBx H 1 1.155 0.020 A 138 LEU HD1% H 1 0.497 0.020 A 138 LEU HD2% H 1 0.702 0.020 A 138 LEU HG H 1 1.377 0.020 A 138 LEU C C 13 176.817 0.200 A 138 LEU CA C 13 54.122 0.200 A 138 LEU CB C 13 43.678 0.200 A 138 LEU CD1 C 13 24.730 0.200 A 138 LEU CD2 C 13 22.485 0.200 A 138 LEU CG C 13 26.753 0.200 A 138 LEU N N 15 125.077 0.200 A 139 GLU H H 1 8.709 0.020 A 139 GLU HA H 1 4.469 0.020 A 139 GLU HB2 H 1 1.925 0.020 A 139 GLU HB3 H 1 1.925 0.020 A 139 GLU HG2 H 1 2.225 0.020 A 139 GLU HG3 H 1 2.225 0.020 A 139 GLU C C 13 175.879 0.200 A 139 GLU CA C 13 55.962 0.200 A 139 GLU CB C 13 31.131 0.200 A 139 GLU CG C 13 36.055 0.200 A 139 GLU N N 15 120.891 0.200 A 140 HIS H H 1 8.822 0.020 A 140 HIS HA H 1 4.288 0.020 A 140 HIS HBy H 1 2.858 0.020 A 140 HIS HBx H 1 2.763 0.020 A 140 HIS C C 13 175.059 0.200 A 140 HIS CA C 13 56.338 0.200 A 140 HIS CB C 13 30.497 0.200 A 140 HIS N N 15 123.331 0.200 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 42 GLU H A 42 GLU HBx 1.0 0.0 4.26 2 2 A 133 VAL HA A 134 THR H 1.0 0.0 3.04 3 3 A 59 PRO HA A 60 VAL H 1.0 0.0 2.94 4 4 A 10 THR H A 10 THR HB 1.0 0.0 3.41 5 5 A 10 THR H A 10 THR HG2% 1.0 0.0 4.33 6 6 A 10 THR HB A 11 TRP H 1.0 0.0 4.58 7 7 A 60 VAL H A 60 VAL HG1% 1.0 0.0 3.24 8 8 A 14 SER HA A 15 ARG H 1.0 0.0 3.27 9 9 A 126 ASN H A 127 ASP H 1.0 0.0 3.20 10 10 A 18 TYR HA A 19 TRP H 1.0 0.0 3.52 11 11 A 19 TRP H A 19 TRP HBx 1.0 0.0 4.38 12 12 A 19 TRP H A 18 TYR HB2 1.0 0.0 4.34 13 12 A 19 TRP H A 18 TYR HB3 1.0 0.0 4.34 14 13 A 20 SER HA A 21 ASP H 1.0 0.0 3.59 15 14 A 21 ASP H A 20 SER HBy 1.0 0.0 5.23 16 15 A 21 ASP H A 21 ASP HBy 1.0 0.0 4.41 17 16 A 21 ASP H A 21 ASP HBx 1.0 0.0 4.41 18 17 A 22 TYR H A 22 TYR HD% 1.0 0.0 4.53 19 18 A 22 TYR H A 21 ASP HA 1.0 0.0 2.98 20 19 A 22 TYR H A 21 ASP HBy 1.0 0.0 4.06 21 20 A 22 TYR H A 21 ASP HBx 1.0 0.0 4.06 22 21 A 22 TYR HA A 23 GLU H 1.0 0.0 3.32 23 22 A 23 GLU HA A 24 GLY H 1.0 0.0 3.68 24 23 A 26 ASP HA A 27 GLU H 1.0 0.0 3.71 25 24 A 27 GLU H A 26 ASP HBy 1.0 0.0 5.53 26 25 A 27 GLU H A 26 ASP HBx 1.0 0.0 5.53 27 26 A 27 GLU H A 27 GLU HG2 1.0 0.0 4.63 28 26 A 27 GLU H A 27 GLU HG3 1.0 0.0 4.63 29 27 A 28 ASN HA A 29 GLY H 1.0 0.0 3.01 30 28 A 30 ASP H A 30 ASP HB2 1.0 0.0 3.91 31 28 A 30 ASP H A 30 ASP HB3 1.0 0.0 3.91 32 29 A 30 ASP HA A 31 GLY H 1.0 0.0 3.59 33 30 A 31 GLY H A 30 ASP HB2 1.0 0.0 4.84 34 30 A 30 ASP HB3 A 31 GLY H 1.0 0.0 4.84 35 31 A 32 ILE H A 31 GLY HA2 1.0 0.0 3.52 36 31 A 31 GLY HA3 A 32 ILE H 1.0 0.0 3.52 37 32 A 32 ILE H A 32 ILE HB 1.0 0.0 3.96 38 33 A 32 ILE H A 32 ILE HG1x 1.0 0.0 4.79 39 34 A 32 ILE HA A 33 GLY H 1.0 0.0 3.65 40 35 A 34 ASP H A 33 GLY HA2 1.0 0.0 3.56 41 35 A 33 GLY HA3 A 34 ASP H 1.0 0.0 3.56 42 36 A 36 ALA H A 36 ALA HB% 1.0 0.0 4.19 43 37 A 36 ALA HA A 37 TYR H 1.0 0.0 3.54 44 38 A 115 GLU H A 114 GLY HAy 1.0 0.0 3.60 45 39 A 115 GLU H A 114 GLY HAx 1.0 0.0 3.60 46 40 A 37 TYR H A 37 TYR HBy 1.0 0.0 4.26 47 41 A 37 TYR H A 37 TYR HBx 1.0 0.0 4.26 48 42 A 115 GLU H A 115 GLU HBy 1.0 0.0 4.06 49 43 A 115 GLU H A 115 GLU HBx 1.0 0.0 4.06 50 44 A 36 ALA HB% A 37 TYR H 1.0 0.0 4.40 51 45 A 37 TYR HA A 38 ALA H 1.0 0.0 3.40 52 46 A 38 ALA H A 38 ALA HB% 1.0 0.0 3.73 53 47 A 38 ALA HA A 39 VAL H 1.0 0.0 3.20 54 48 A 39 VAL H A 39 VAL HB 1.0 0.0 4.07 55 49 A 38 ALA HB% A 39 VAL H 1.0 0.0 4.30 56 50 A 39 VAL H A 39 VAL HG1% 1.0 0.0 3.80 57 50 A 39 VAL H A 39 VAL HG2% 1.0 0.0 3.80 58 51 A 40 ASN H A 41 PRO HA 1.0 0.0 6.10 59 52 A 40 ASN H A 39 VAL HA 1.0 0.0 3.64 60 53 A 42 GLU H A 42 GLU HG2 1.0 0.0 4.54 61 53 A 42 GLU H A 42 GLU HG3 1.0 0.0 4.54 62 54 A 42 GLU H A 42 GLU HBy 1.0 0.0 4.26 63 55 A 42 GLU HA A 43 ALA H 1.0 0.0 3.55 64 56 A 43 ALA H A 43 ALA HB% 1.0 0.0 3.72 65 57 A 52 MET HA A 53 GLU H 1.0 0.0 3.41 66 58 A 53 GLU H A 52 MET HB2 1.0 0.0 4.07 67 58 A 53 GLU H A 52 MET HB3 1.0 0.0 4.07 68 59 A 53 GLU HA A 54 TYR H 1.0 0.0 3.66 69 60 A 134 THR H A 134 THR HB 1.0 0.0 3.53 70 61 A 134 THR H A 133 VAL HB 1.0 0.0 4.29 71 62 A 134 THR H A 133 VAL HG1% 1.0 0.0 3.43 72 62 A 134 THR H A 133 VAL HG2% 1.0 0.0 3.43 73 63 A 134 THR H A 134 THR HG2% 1.0 0.0 4.21 74 64 A 54 TYR HA A 55 LEU H 1.0 0.0 3.46 75 65 A 55 LEU H A 55 LEU HG 1.0 0.0 4.86 76 66 A 60 VAL H A 61 LEU H 1.0 0.0 4.65 77 67 A 61 LEU H A 60 VAL HA 1.0 0.0 2.95 78 68 A 61 LEU H A 60 VAL HB 1.0 0.0 4.60 79 69 A 61 LEU H A 61 LEU HG 1.0 0.0 4.02 80 70 A 61 LEU H A 61 LEU HB2 1.0 0.0 3.59 81 70 A 61 LEU H A 61 LEU HB3 1.0 0.0 3.59 82 71 A 61 LEU H A 61 LEU HD2% 1.0 0.0 4.12 83 72 A 63 THR H A 64 ALA H 1.0 0.0 4.90 84 73 A 63 THR H A 86 GLU H 1.0 0.0 3.93 85 74 A 63 THR H A 62 PRO HA 1.0 0.0 3.03 86 75 A 63 THR H A 85 SER HA 1.0 0.0 4.79 87 76 A 63 THR H A 85 SER HB2 1.0 0.0 4.29 88 76 A 63 THR H A 85 SER HB3 1.0 0.0 4.29 89 77 A 63 THR H A 63 THR HB 1.0 0.0 3.73 90 78 A 63 THR H A 87 ASN HB2 1.0 0.0 4.22 91 79 A 63 THR H A 62 PRO HB2 1.0 0.0 4.08 92 80 A 63 THR H A 62 PRO HB3 1.0 0.0 4.19 93 81 A 63 THR H A 63 THR HG2% 1.0 0.0 4.43 94 82 A 61 LEU HD2% A 63 THR H 1.0 0.0 5.62 95 83 A 63 THR H A 122 VAL HG2% 1.0 0.0 4.28 96 84 A 64 ALA H A 63 THR HA 1.0 0.0 3.42 97 85 A 64 ALA H A 129 ASP HBx 1.0 0.0 5.09 98 86 A 64 ALA H A 122 VAL HG2% 1.0 0.0 4.83 99 87 A 65 ARG H A 85 SER HG 1.0 0.0 4.70 100 88 A 65 ARG H A 64 ALA HA 1.0 0.0 3.23 101 89 A 85 SER HA A 65 ARG H 1.0 0.0 3.70 102 90 A 65 ARG H A 85 SER HB2 1.0 0.0 4.58 103 90 A 85 SER HB3 A 65 ARG H 1.0 0.0 4.58 104 91 A 65 ARG H A 65 ARG HB2 1.0 0.0 3.89 105 91 A 65 ARG H A 65 ARG HB3 1.0 0.0 3.89 106 92 A 65 ARG H A 64 ALA HB% 1.0 0.0 3.99 107 93 A 65 ARG H A 122 VAL HG1% 1.0 0.0 5.12 108 94 A 122 VAL HG2% A 65 ARG H 1.0 0.0 4.97 109 95 A 65 ARG H A 120 LEU HG 1.0 0.0 4.76 110 96 A 66 PHE H A 67 THR H 1.0 0.0 5.09 111 97 A 67 THR H A 82 LYS H 1.0 0.0 5.32 112 98 A 66 PHE H A 65 ARG HA 1.0 0.0 3.21 113 99 A 66 PHE H A 66 PHE HB2 1.0 0.0 4.41 114 100 A 82 LYS H A 82 LYS HBy 1.0 0.0 4.34 115 101 A 82 LYS H A 82 LYS HBx 1.0 0.0 4.34 116 102 A 66 PHE H A 65 ARG HB2 1.0 0.0 4.27 117 102 A 65 ARG HB3 A 66 PHE H 1.0 0.0 4.27 118 103 A 82 LYS H A 67 THR HG2% 1.0 0.0 4.91 119 104 A 67 THR H A 66 PHE HD% 1.0 0.0 4.71 120 105 A 67 THR H A 66 PHE HA 1.0 0.0 3.70 121 106 A 67 THR H A 67 THR HG1 1.0 0.0 5.47 122 107 A 67 THR H A 66 PHE HB3 1.0 0.0 4.62 123 108 A 67 THR H A 67 THR HG2% 1.0 0.0 4.57 124 109 A 67 THR HG1 A 68 SER H 1.0 0.0 4.60 125 110 A 68 SER H A 67 THR HA 1.0 0.0 3.10 126 111 A 68 SER H A 67 THR HB 1.0 0.0 4.17 127 112 A 67 THR HG2% A 68 SER H 1.0 0.0 4.02 128 113 A 68 SER HA A 69 ASP H 1.0 0.0 3.54 129 114 A 69 ASP H A 68 SER HBy 1.0 0.0 4.88 130 115 A 69 ASP H A 68 SER HBx 1.0 0.0 4.88 131 116 A 69 ASP H A 79 VAL HG1% 1.0 0.0 4.34 132 117 A 69 ASP H A 70 ILE H 1.0 0.0 3.41 133 118 A 68 SER HA A 70 ILE H 1.0 0.0 4.88 134 119 A 70 ILE H A 70 ILE HB 1.0 0.0 4.18 135 120 A 70 ILE H A 70 ILE HG1y 1.0 0.0 4.04 136 121 A 70 ILE H A 70 ILE HG1x 1.0 0.0 4.04 137 122 A 70 ILE H A 70 ILE HG2% 1.0 0.0 3.62 138 123 A 70 ILE H A 70 ILE HD1% 1.0 0.0 4.07 139 124 A 79 VAL HG1% A 70 ILE H 1.0 0.0 3.95 140 125 A 71 THR H A 72 GLU H 1.0 0.0 3.14 141 126 A 71 THR H A 70 ILE HA 1.0 0.0 3.40 142 127 A 70 ILE HB A 71 THR H 1.0 0.0 3.87 143 128 A 71 THR H A 70 ILE HG1y 1.0 0.0 5.48 144 129 A 71 THR H A 71 THR HG2% 1.0 0.0 4.01 145 130 A 70 ILE HD1% A 71 THR H 1.0 0.0 4.12 146 131 A 72 GLU H A 71 THR HB 1.0 0.0 4.99 147 132 A 72 GLU H A 70 ILE HA 1.0 0.0 4.40 148 133 A 70 ILE HB A 72 GLU H 1.0 0.0 4.15 149 134 A 72 GLU H A 71 THR HG2% 1.0 0.0 4.67 150 135 A 70 ILE HD1% A 72 GLU H 1.0 0.0 4.03 151 136 A 73 GLY H A 138 LEU H 1.0 0.0 4.56 152 137 A 73 GLY H A 72 GLU HA 1.0 0.0 3.02 153 138 A 73 GLY H A 137 ALA HA 1.0 0.0 4.54 154 139 A 73 GLY H A 138 LEU HG 1.0 0.0 4.44 155 140 A 74 PHE H A 74 PHE HD% 1.0 0.0 4.07 156 141 A 74 PHE H A 73 GLY HAy 1.0 0.0 3.49 157 142 A 74 PHE H A 73 GLY HAx 1.0 0.0 3.49 158 143 A 74 PHE H A 74 PHE HBy 1.0 0.0 3.95 159 144 A 74 PHE H A 74 PHE HBx 1.0 0.0 3.95 160 145 A 137 ALA HA A 75 ALA H 1.0 0.0 4.81 161 146 A 75 ALA H A 74 PHE HA 1.0 0.0 3.27 162 147 A 75 ALA H A 74 PHE HBy 1.0 0.0 4.62 163 148 A 75 ALA H A 74 PHE HBx 1.0 0.0 4.62 164 149 A 75 ALA H A 137 ALA HB% 1.0 0.0 4.22 165 150 A 75 ALA H A 75 ALA HB% 1.0 0.0 3.24 166 151 A 85 SER HG A 84 PHE H 1.0 0.0 4.78 167 152 A 66 PHE HA A 84 PHE H 1.0 0.0 4.08 168 153 A 84 PHE H A 83 ASP HA 1.0 0.0 3.58 169 154 A 84 PHE H A 85 SER H 1.0 0.0 3.65 170 155 A 65 ARG H A 85 SER H 1.0 0.0 4.49 171 156 A 85 SER HG A 85 SER H 1.0 0.0 3.78 172 157 A 83 ASP HA A 85 SER H 1.0 0.0 4.79 173 158 A 85 SER H A 85 SER HB2 1.0 0.0 3.79 174 158 A 85 SER HB3 A 85 SER H 1.0 0.0 3.79 175 159 A 85 SER H A 65 ARG HB2 1.0 0.0 4.78 176 159 A 65 ARG HB3 A 85 SER H 1.0 0.0 4.78 177 160 A 120 LEU HG A 85 SER H 1.0 0.0 5.37 178 161 A 86 GLU H A 85 SER HA 1.0 0.0 3.28 179 162 A 86 GLU H A 86 GLU HG2 1.0 0.0 4.63 180 162 A 86 GLU H A 86 GLU HG3 1.0 0.0 4.63 181 163 A 62 PRO HA A 87 ASN HD22 1.0 0.0 5.73 182 164 A 87 ASN HB2 A 87 ASN HD22 1.0 0.0 3.90 183 165 A 87 ASN HD22 A 87 ASN HB3 1.0 0.0 4.23 184 166 A 87 ASN HD22 A 86 GLU HBy 1.0 0.0 5.63 185 167 A 87 ASN HD22 A 60 VAL HG2% 1.0 0.0 4.11 186 168 A 86 GLU HA A 87 ASN H 1.0 0.0 3.23 187 169 A 87 ASN H A 88 ALA HA 1.0 0.0 5.86 188 170 A 87 ASN H A 86 GLU HG2 1.0 0.0 4.57 189 170 A 86 GLU HG3 A 87 ASN H 1.0 0.0 4.57 190 171 A 87 ASN HD21 A 86 GLU HBy 1.0 0.0 5.19 191 172 A 60 VAL HG2% A 87 ASN HD21 1.0 0.0 3.99 192 173 A 88 ALA H A 89 THR H 1.0 0.0 4.84 193 174 A 87 ASN H A 88 ALA H 1.0 0.0 3.63 194 175 A 86 GLU HA A 88 ALA H 1.0 0.0 4.19 195 176 A 88 ALA H A 87 ASN HA 1.0 0.0 3.33 196 177 A 88 ALA H A 88 ALA HB% 1.0 0.0 3.07 197 178 A 89 THR H A 124 ASN HA 1.0 0.0 4.42 198 179 A 89 THR H A 88 ALA HB% 1.0 0.0 4.04 199 180 A 89 THR H A 89 THR HG2% 1.0 0.0 4.27 200 181 A 89 THR H A 90 SER H 1.0 0.0 3.17 201 182 A 124 ASN HA A 90 SER H 1.0 0.0 4.92 202 183 A 90 SER H A 89 THR HB 1.0 0.0 4.44 203 184 A 90 SER H A 90 SER HB2 1.0 0.0 3.99 204 184 A 90 SER H A 90 SER HB3 1.0 0.0 3.99 205 185 A 88 ALA HB% A 90 SER H 1.0 0.0 3.87 206 186 A 89 THR HG2% A 90 SER H 1.0 0.0 4.30 207 187 A 90 SER HA A 91 ARG H 1.0 0.0 3.06 208 188 A 91 ARG H A 90 SER HB2 1.0 0.0 3.35 209 188 A 90 SER HB3 A 91 ARG H 1.0 0.0 3.35 210 189 A 91 ARG H A 91 ARG HGy 1.0 0.0 4.50 211 190 A 91 ARG H A 91 ARG HGx 1.0 0.0 4.50 212 191 A 92 LEU H A 121 ILE H 1.0 0.0 4.15 213 192 A 92 LEU H A 91 ARG HA 1.0 0.0 3.11 214 193 A 92 LEU H A 92 LEU HBy 1.0 0.0 4.03 215 194 A 92 LEU H A 92 LEU HBx 1.0 0.0 4.03 216 195 A 92 LEU H A 121 ILE HG2% 1.0 0.0 4.18 217 196 A 122 VAL HG1% A 92 LEU H 1.0 0.0 4.61 218 197 A 92 LEU H A 120 LEU HD1% 1.0 0.0 4.05 219 197 A 92 LEU H A 120 LEU HD2% 1.0 0.0 4.05 220 198 A 92 LEU HA A 93 TRP H 1.0 0.0 3.48 221 199 A 93 TRP H A 93 TRP HB2 1.0 0.0 4.34 222 199 A 93 TRP H A 93 TRP HB3 1.0 0.0 4.34 223 200 A 93 TRP H A 92 LEU HG 1.0 0.0 5.19 224 201 A 93 TRP HA A 94 MET H 1.0 0.0 3.38 225 202 A 94 MET H A 94 MET HG2 1.0 0.0 3.97 226 202 A 94 MET H A 94 MET HG3 1.0 0.0 3.97 227 203 A 94 MET H A 94 MET HBy 1.0 0.0 4.29 228 204 A 94 MET H A 94 MET HBx 1.0 0.0 4.29 229 205 A 121 ILE HD1% A 122 VAL H 1.0 0.0 4.17 230 206 A 122 VAL HG1% A 122 VAL H 1.0 0.0 4.28 231 207 A 95 PHE H A 96 GLY H 1.0 0.0 4.06 232 208 A 95 PHE H A 95 PHE HD% 1.0 0.0 4.63 233 209 A 95 PHE H A 100 THR HA 1.0 0.0 4.84 234 210 A 95 PHE H A 94 MET HA 1.0 0.0 3.19 235 211 A 95 PHE H A 95 PHE HB2 1.0 0.0 3.96 236 211 A 95 PHE H A 95 PHE HB3 1.0 0.0 3.96 237 212 A 95 PHE H A 94 MET HG2 1.0 0.0 4.63 238 212 A 94 MET HG3 A 95 PHE H 1.0 0.0 4.63 239 213 A 95 PHE H A 94 MET HBy 1.0 0.0 5.28 240 214 A 95 PHE H A 100 THR HG2% 1.0 0.0 4.28 241 215 A 96 GLY H A 94 MET HA 1.0 0.0 4.74 242 216 A 96 GLY H A 97 ASP H 1.0 0.0 3.79 243 217 A 99 ASN H A 99 ASN HD2y 1.0 0.0 5.28 244 218 A 99 ASN H A 99 ASN HBy 1.0 0.0 4.37 245 219 A 99 ASN H A 99 ASN HBx 1.0 0.0 4.37 246 220 A 99 ASN H A 100 THR H 1.0 0.0 5.04 247 221 A 100 THR H A 99 ASN HA 1.0 0.0 3.40 248 222 A 100 THR H A 99 ASN HBy 1.0 0.0 4.65 249 223 A 100 THR H A 99 ASN HBx 1.0 0.0 4.65 250 224 A 100 THR HG2% A 100 THR H 1.0 0.0 4.19 251 225 A 93 TRP H A 101 SER H 1.0 0.0 4.02 252 226 A 101 SER H A 100 THR HG1 1.0 0.0 4.61 253 227 A 100 THR HA A 101 SER H 1.0 0.0 3.46 254 228 A 101 SER H A 100 THR HB 1.0 0.0 3.73 255 229 A 101 SER H A 93 TRP HB2 1.0 0.0 4.41 256 229 A 93 TRP HB3 A 101 SER H 1.0 0.0 4.41 257 230 A 100 THR HG2% A 101 SER H 1.0 0.0 4.30 258 231 A 105 SER H A 104 PRO HB2 1.0 0.0 4.03 259 231 A 104 PRO HB3 A 105 SER H 1.0 0.0 4.03 260 232 A 110 PHE H A 110 PHE HD% 1.0 0.0 4.80 261 233 A 110 PHE H A 109 THR HA 1.0 0.0 3.53 262 234 A 110 PHE H A 109 THR HG2% 1.0 0.0 4.00 263 235 A 111 PHE H A 112 ASN HA 1.0 0.0 5.35 264 236 A 111 PHE H A 110 PHE HA 1.0 0.0 3.44 265 237 A 111 PHE H A 111 PHE HBy 1.0 0.0 4.12 266 238 A 111 PHE H A 111 PHE HBx 1.0 0.0 4.12 267 239 A 110 PHE HA A 112 ASN H 1.0 0.0 3.68 268 240 A 112 ASN H A 111 PHE HBy 1.0 0.0 4.60 269 241 A 112 ASN H A 112 ASN HBy 1.0 0.0 4.09 270 242 A 112 ASN HA A 113 GLU H 1.0 0.0 3.40 271 243 A 113 GLU H A 112 ASN HBy 1.0 0.0 4.51 272 244 A 113 GLU H A 112 ASN HBx 1.0 0.0 4.51 273 245 A 113 GLU H A 113 GLU HG2 1.0 0.0 4.26 274 245 A 113 GLU H A 113 GLU HG3 1.0 0.0 4.26 275 246 A 113 GLU H A 113 GLU HBy 1.0 0.0 3.87 276 247 A 113 GLU H A 113 GLU HBx 1.0 0.0 3.87 277 248 A 75 ALA HB% A 113 GLU H 1.0 0.0 4.88 278 249 A 113 GLU HA A 114 GLY H 1.0 0.0 3.30 279 250 A 114 GLY H A 113 GLU HG2 1.0 0.0 3.90 280 250 A 113 GLU HG3 A 114 GLY H 1.0 0.0 3.90 281 251 A 114 GLY H A 113 GLU HBy 1.0 0.0 4.41 282 252 A 114 GLY H A 113 GLU HBx 1.0 0.0 4.41 283 253 A 137 ALA HB% A 114 GLY H 1.0 0.0 3.73 284 254 A 115 GLU H A 114 GLY H 1.0 0.0 4.65 285 255 A 116 TYR H A 116 TYR HD% 1.0 0.0 4.35 286 256 A 116 TYR H A 115 GLU HA 1.0 0.0 3.07 287 257 A 116 TYR H A 115 GLU HGy 1.0 0.0 4.74 288 258 A 116 TYR H A 115 GLU HGx 1.0 0.0 4.74 289 259 A 116 TYR H A 135 ILE HB 1.0 0.0 3.97 290 260 A 134 THR HG2% A 116 TYR H 1.0 0.0 5.39 291 261 A 116 TYR HA A 117 ILE H 1.0 0.0 3.14 292 262 A 117 ILE H A 116 TYR HBy 1.0 0.0 4.74 293 263 A 117 ILE H A 116 TYR HBx 1.0 0.0 4.74 294 264 A 117 ILE H A 117 ILE HB 1.0 0.0 3.51 295 265 A 117 ILE H A 117 ILE HG2% 1.0 0.0 4.67 296 266 A 117 ILE H A 117 ILE HD1% 1.0 0.0 4.97 297 267 A 117 ILE HA A 118 VAL H 1.0 0.0 3.52 298 268 A 118 VAL H A 118 VAL HB 1.0 0.0 3.98 299 269 A 118 VAL H A 133 VAL HG1% 1.0 0.0 4.86 300 269 A 133 VAL HG2% A 118 VAL H 1.0 0.0 4.86 301 270 A 117 ILE HG2% A 118 VAL H 1.0 0.0 4.15 302 271 A 118 VAL H A 118 VAL HG1% 1.0 0.0 4.81 303 272 A 118 VAL HA A 119 SER H 1.0 0.0 3.35 304 273 A 119 SER H A 118 VAL HG2% 1.0 0.0 4.62 305 274 A 118 VAL HG1% A 119 SER H 1.0 0.0 3.91 306 275 A 66 PHE HE% A 120 LEU H 1.0 0.0 4.44 307 276 A 120 LEU H A 132 SER HA 1.0 0.0 4.39 308 277 A 120 LEU H A 119 SER HA 1.0 0.0 3.32 309 278 A 120 LEU H A 121 ILE HA 1.0 0.0 5.46 310 279 A 120 LEU H A 119 SER HBy 1.0 0.0 4.94 311 280 A 118 VAL HG1% A 120 LEU H 1.0 0.0 4.83 312 281 A 121 ILE H A 120 LEU HA 1.0 0.0 3.48 313 282 A 121 ILE H A 121 ILE HB 1.0 0.0 3.81 314 283 A 121 ILE H A 121 ILE HG1y 1.0 0.0 5.45 315 284 A 121 ILE H A 120 LEU HD1% 1.0 0.0 4.01 316 284 A 121 ILE H A 120 LEU HD2% 1.0 0.0 4.01 317 285 A 122 VAL H A 130 SER HA 1.0 0.0 4.70 318 286 A 123 SER H A 124 ASN H 1.0 0.0 4.64 319 287 A 123 SER H A 122 VAL HA 1.0 0.0 3.03 320 288 A 123 SER H A 123 SER HB2 1.0 0.0 4.22 321 289 A 123 SER H A 122 VAL HB 1.0 0.0 3.73 322 290 A 88 ALA HB% A 123 SER H 1.0 0.0 4.01 323 291 A 122 VAL HG1% A 123 SER H 1.0 0.0 3.98 324 292 A 122 VAL HG2% A 123 SER H 1.0 0.0 4.26 325 293 A 124 ASN H A 123 SER HA 1.0 0.0 3.21 326 294 A 124 ASN H A 123 SER HB3 1.0 0.0 3.92 327 295 A 124 ASN H A 123 SER HB2 1.0 0.0 3.76 328 296 A 125 GLU H A 124 ASN HB2 1.0 0.0 4.55 329 296 A 124 ASN HB3 A 125 GLU H 1.0 0.0 4.55 330 297 A 125 GLU H A 125 GLU HB2 1.0 0.0 4.35 331 297 A 125 GLU H A 125 GLU HB3 1.0 0.0 4.35 332 298 A 126 ASN HD2y A 126 ASN HB2 1.0 0.0 3.87 333 298 A 126 ASN HB3 A 126 ASN HD2y 1.0 0.0 3.87 334 299 A 60 VAL HG1% A 126 ASN HD2y 1.0 0.0 5.42 335 300 A 126 ASN HD2y A 61 LEU HD1% 1.0 0.0 5.68 336 301 A 126 ASN H A 126 ASN HB2 1.0 0.0 3.64 337 301 A 126 ASN H A 126 ASN HB3 1.0 0.0 3.64 338 302 A 126 ASN H A 125 GLU HGx 1.0 0.0 4.74 339 303 A 61 LEU HA A 126 ASN HD2x 1.0 0.0 5.27 340 304 A 126 ASN HD2x A 126 ASN HB2 1.0 0.0 3.87 341 304 A 126 ASN HB3 A 126 ASN HD2x 1.0 0.0 3.87 342 305 A 127 ASP H A 124 ASN H 1.0 0.0 4.22 343 306 A 127 ASP H A 126 ASN HB2 1.0 0.0 3.60 344 306 A 127 ASP H A 126 ASN HB3 1.0 0.0 3.60 345 307 A 127 ASP H A 128 SER H 1.0 0.0 4.84 346 308 A 128 SER H A 127 ASP HA 1.0 0.0 3.18 347 309 A 128 SER H A 127 ASP HBy 1.0 0.0 4.21 348 310 A 122 VAL H A 129 ASP H 1.0 0.0 3.81 349 311 A 129 ASP H A 128 SER HA 1.0 0.0 3.33 350 312 A 63 THR HA A 129 ASP H 1.0 0.0 6.30 351 313 A 121 ILE HA A 129 ASP H 1.0 0.0 6.30 352 314 A 62 PRO HB2 A 129 ASP H 1.0 0.0 4.65 353 315 A 121 ILE HD1% A 129 ASP H 1.0 0.0 5.55 354 316 A 122 VAL HG1% A 129 ASP H 1.0 0.0 6.16 355 317 A 122 VAL HG2% A 129 ASP H 1.0 0.0 3.91 356 318 A 130 SER H A 131 ALA H 1.0 0.0 4.86 357 319 A 130 SER H A 129 ASP HA 1.0 0.0 2.82 358 320 A 130 SER H A 131 ALA HA 1.0 0.0 5.30 359 321 A 121 ILE HA A 130 SER H 1.0 0.0 5.23 360 322 A 130 SER H A 130 SER HB2 1.0 0.0 3.53 361 322 A 130 SER H A 130 SER HB3 1.0 0.0 3.53 362 323 A 130 SER H A 129 ASP HBy 1.0 0.0 4.38 363 324 A 130 SER H A 129 ASP HBx 1.0 0.0 4.38 364 325 A 64 ALA HB% A 130 SER H 1.0 0.0 4.01 365 326 A 130 SER HA A 131 ALA H 1.0 0.0 3.11 366 327 A 119 SER HA A 131 ALA H 1.0 0.0 5.23 367 328 A 121 ILE HA A 131 ALA H 1.0 0.0 4.46 368 329 A 131 ALA H A 130 SER HB2 1.0 0.0 3.62 369 329 A 131 ALA H A 130 SER HB3 1.0 0.0 3.62 370 330 A 131 ALA H A 131 ALA HB% 1.0 0.0 3.68 371 331 A 64 ALA HB% A 131 ALA H 1.0 0.0 3.80 372 332 A 131 ALA HA A 132 SER H 1.0 0.0 2.84 373 333 A 132 SER H A 132 SER HBy 1.0 0.0 4.17 374 334 A 132 SER H A 132 SER HBx 1.0 0.0 4.17 375 335 A 131 ALA HB% A 132 SER H 1.0 0.0 3.28 376 336 A 118 VAL H A 133 VAL H 1.0 0.0 4.13 377 337 A 132 SER H A 133 VAL H 1.0 0.0 4.75 378 338 A 66 PHE HE% A 133 VAL H 1.0 0.0 4.19 379 339 A 132 SER HA A 133 VAL H 1.0 0.0 3.21 380 340 A 119 SER HA A 133 VAL H 1.0 0.0 4.95 381 341 A 133 VAL H A 132 SER HBy 1.0 0.0 4.32 382 342 A 133 VAL H A 132 SER HBx 1.0 0.0 4.32 383 343 A 118 VAL HB A 133 VAL H 1.0 0.0 4.47 384 344 A 133 VAL H A 133 VAL HG1% 1.0 0.0 3.60 385 344 A 133 VAL HG2% A 133 VAL H 1.0 0.0 3.60 386 345 A 117 ILE HG2% A 133 VAL H 1.0 0.0 4.60 387 346 A 134 THR HA A 135 ILE H 1.0 0.0 3.34 388 347 A 117 ILE HA A 135 ILE H 1.0 0.0 4.70 389 348 A 135 ILE HB A 135 ILE H 1.0 0.0 4.02 390 349 A 135 ILE H A 135 ILE HG12 1.0 0.0 4.58 391 350 A 134 THR HG2% A 135 ILE H 1.0 0.0 3.97 392 351 A 135 ILE H A 135 ILE HG2% 1.0 0.0 4.65 393 352 A 72 GLU HA A 136 ARG H 1.0 0.0 4.46 394 353 A 136 ARG H A 135 ILE HA 1.0 0.0 3.17 395 354 A 136 ARG H A 136 ARG HB2 1.0 0.0 3.71 396 354 A 136 ARG H A 136 ARG HB3 1.0 0.0 3.71 397 355 A 136 ARG H A 135 ILE HD1% 1.0 0.0 4.11 398 356 A 135 ILE HG2% A 136 ARG H 1.0 0.0 3.89 399 357 A 136 ARG HA A 137 ALA H 1.0 0.0 3.02 400 358 A 137 ALA H A 136 ARG HB2 1.0 0.0 4.19 401 358 A 136 ARG HB3 A 137 ALA H 1.0 0.0 4.19 402 359 A 137 ALA HB% A 137 ALA H 1.0 0.0 3.34 403 360 A 138 LEU H A 137 ALA HA 1.0 0.0 3.31 404 361 A 138 LEU H A 74 PHE HA 1.0 0.0 4.24 405 362 A 138 LEU H A 75 ALA HB% 1.0 0.0 4.58 406 363 A 138 LEU H A 138 LEU HD1% 1.0 0.0 4.54 407 364 A 138 LEU HA A 139 GLU H 1.0 0.0 3.17 408 365 A 139 GLU H A 139 GLU HB2 1.0 0.0 3.39 409 365 A 139 GLU H A 139 GLU HB3 1.0 0.0 3.39 410 366 A 139 GLU H A 138 LEU HBy 1.0 0.0 4.64 411 367 A 139 GLU H A 138 LEU HBx 1.0 0.0 4.64 412 368 A 139 GLU HA A 140 HIS H 1.0 0.0 3.65 413 369 A 140 HIS H A 139 GLU HG2 1.0 0.0 4.56 414 369 A 140 HIS H A 139 GLU HG3 1.0 0.0 4.56 415 370 A 140 HIS H A 139 GLU HB2 1.0 0.0 4.50 416 370 A 139 GLU HB3 A 140 HIS H 1.0 0.0 4.50 417 371 A 138 LEU H A 139 GLU H 1.0 0.0 4.92 418 372 A 138 LEU HD1% A 139 GLU H 1.0 0.0 5.11 419 373 A 122 VAL H A 131 ALA H 1.0 0.0 5.87 420 374 A 121 ILE HG2% A 131 ALA H 1.0 0.0 6.30 421 375 A 121 ILE HD1% A 131 ALA H 1.0 0.0 6.30 422 376 A 118 VAL HG1% A 133 VAL H 1.0 0.0 5.25 423 377 A 129 ASP H A 130 SER H 1.0 0.0 4.84 424 378 A 138 LEU HG A 139 GLU H 1.0 0.0 5.18 425 379 A 138 LEU H A 137 ALA HB% 1.0 0.0 4.22 426 380 A 114 GLY H A 137 ALA H 1.0 0.0 4.77 427 381 A 136 ARG H A 137 ALA H 1.0 0.0 4.88 428 382 A 116 TYR H A 135 ILE H 1.0 0.0 4.38 429 383 A 135 ILE H A 133 VAL HG1% 1.0 0.0 5.73 430 383 A 133 VAL HG2% A 135 ILE H 1.0 0.0 5.73 431 384 A 134 THR H A 135 ILE H 1.0 0.0 5.13 432 385 A 134 THR H A 133 VAL H 1.0 0.0 5.42 433 386 A 133 VAL H A 135 ILE HG12 1.0 0.0 6.26 434 387 A 120 LEU H A 132 SER H 1.0 0.0 5.79 435 388 A 133 VAL HA A 132 SER H 1.0 0.0 5.19 436 389 A 62 PRO HB3 A 129 ASP H 1.0 0.0 5.91 437 390 A 129 ASP H A 130 SER HB2 1.0 0.0 5.43 438 390 A 129 ASP H A 130 SER HB3 1.0 0.0 5.43 439 391 A 123 SER HB3 A 129 ASP H 1.0 0.0 5.96 440 392 A 123 SER HA A 129 ASP H 1.0 0.0 4.28 441 393 A 128 SER H A 129 ASP H 1.0 0.0 4.92 442 394 A 128 SER H A 127 ASP HBx 1.0 0.0 4.21 443 395 A 127 ASP H A 61 LEU HD2% 1.0 0.0 6.01 444 396 A 127 ASP H A 62 PRO HG2 1.0 0.0 4.89 445 396 A 127 ASP H A 62 PRO HG3 1.0 0.0 4.89 446 397 A 127 ASP H A 61 LEU HA 1.0 0.0 4.45 447 398 A 127 ASP H A 123 SER HA 1.0 0.0 6.14 448 399 A 61 LEU H A 126 ASN HD2x 1.0 0.0 5.39 449 400 A 60 VAL HG1% A 126 ASN HD2x 1.0 0.0 5.42 450 401 A 61 LEU H A 126 ASN HD2y 1.0 0.0 5.39 451 402 A 126 ASN HD2y A 61 LEU HA 1.0 0.0 5.27 452 403 A 126 ASN H A 125 GLU H 1.0 0.0 4.82 453 404 A 126 ASN H A 124 ASN H 1.0 0.0 4.89 454 405 A 126 ASN H A 61 LEU HA 1.0 0.0 4.67 455 406 A 126 ASN H A 124 ASN HA 1.0 0.0 5.41 456 407 A 126 ASN H A 124 ASN HB2 1.0 0.0 5.26 457 407 A 126 ASN H A 124 ASN HB3 1.0 0.0 5.26 458 408 A 126 ASN H A 125 GLU HB2 1.0 0.0 4.19 459 408 A 126 ASN H A 125 GLU HB3 1.0 0.0 4.19 460 409 A 125 GLU H A 126 ASN HA 1.0 0.0 5.60 461 410 A 124 ASN H A 127 ASP HA 1.0 0.0 5.23 462 411 A 124 ASN H A 128 SER HA 1.0 0.0 4.56 463 412 A 124 ASN H A 129 ASP H 1.0 0.0 6.04 464 413 A 62 PRO HB2 A 123 SER H 1.0 0.0 5.58 465 414 A 62 PRO HB3 A 123 SER H 1.0 0.0 5.51 466 415 A 123 SER H A 124 ASN HB2 1.0 0.0 5.08 467 415 A 123 SER H A 124 ASN HB3 1.0 0.0 5.08 468 416 A 123 SER H A 90 SER HB2 1.0 0.0 5.01 469 416 A 90 SER HB3 A 123 SER H 1.0 0.0 5.01 470 417 A 124 ASN HA A 123 SER H 1.0 0.0 5.25 471 418 A 123 SER H A 128 SER HA 1.0 0.0 5.48 472 419 A 88 ALA HA A 123 SER H 1.0 0.0 5.18 473 420 A 90 SER H A 123 SER H 1.0 0.0 4.04 474 421 A 122 VAL H A 121 ILE HA 1.0 0.0 3.62 475 422 A 122 VAL H A 121 ILE HB 1.0 0.0 5.40 476 423 A 121 ILE H A 94 MET H 1.0 0.0 5.10 477 424 A 121 ILE H A 122 VAL H 1.0 0.0 5.50 478 425 A 122 VAL HG2% A 121 ILE H 1.0 0.0 5.92 479 426 A 122 VAL HG1% A 121 ILE H 1.0 0.0 5.71 480 427 A 121 ILE H A 121 ILE HG1x 1.0 0.0 5.45 481 428 A 120 LEU H A 120 LEU HD1% 1.0 0.0 5.07 482 428 A 120 LEU HD2% A 120 LEU H 1.0 0.0 5.07 483 429 A 120 LEU HG A 120 LEU H 1.0 0.0 5.31 484 430 A 120 LEU H A 131 ALA HB% 1.0 0.0 5.16 485 431 A 120 LEU H A 130 SER HA 1.0 0.0 5.46 486 432 A 120 LEU H A 130 SER HB2 1.0 0.0 5.28 487 432 A 120 LEU H A 130 SER HB3 1.0 0.0 5.28 488 433 A 120 LEU H A 119 SER HBx 1.0 0.0 4.94 489 434 A 120 LEU H A 131 ALA H 1.0 0.0 4.27 490 435 A 119 SER H A 120 LEU H 1.0 0.0 5.27 491 436 A 118 VAL HB A 119 SER H 1.0 0.0 5.03 492 437 A 118 VAL H A 135 ILE H 1.0 0.0 5.19 493 438 A 118 VAL H A 134 THR HA 1.0 0.0 5.00 494 439 A 116 TYR H A 117 ILE H 1.0 0.0 4.82 495 440 A 117 ILE H A 118 VAL H 1.0 0.0 6.00 496 441 A 116 TYR HD% A 117 ILE H 1.0 0.0 4.99 497 442 A 117 ILE H A 118 VAL HA 1.0 0.0 5.03 498 443 A 116 TYR H A 135 ILE HG2% 1.0 0.0 5.66 499 444 A 115 GLU H A 116 TYR H 1.0 0.0 4.87 500 445 A 113 GLU H A 114 GLY H 1.0 0.0 4.96 501 446 A 112 ASN H A 113 GLU H 1.0 0.0 5.16 502 447 A 111 PHE H A 112 ASN H 1.0 0.0 2.96 503 448 A 112 ASN H A 111 PHE HD% 1.0 0.0 5.96 504 449 A 112 ASN H A 112 ASN HBx 1.0 0.0 4.09 505 450 A 112 ASN H A 111 PHE HBx 1.0 0.0 4.60 506 451 A 110 PHE H A 111 PHE H 1.0 0.0 4.87 507 452 A 109 THR HG2% A 111 PHE H 1.0 0.0 5.01 508 453 A 101 SER H A 102 ASP H 1.0 0.0 5.20 509 454 A 21 ASP H A 20 SER HBx 1.0 0.0 5.23 510 455 A 23 GLU H A 23 GLU HG2 1.0 0.0 4.89 511 455 A 23 GLU H A 23 GLU HG3 1.0 0.0 4.89 512 456 A 28 ASN HA A 28 ASN HD21 1.0 0.0 2.96 513 457 A 28 ASN HA A 28 ASN HD22 1.0 0.0 3.57 514 458 A 32 ILE H A 32 ILE HG1y 1.0 0.0 4.79 515 459 A 32 ILE H A 32 ILE HG2% 1.0 0.0 4.88 516 460 A 37 TYR H A 37 TYR HD% 1.0 0.0 4.66 517 461 A 54 TYR H A 54 TYR HD% 1.0 0.0 4.74 518 462 A 54 TYR H A 54 TYR HBy 1.0 0.0 4.14 519 463 A 54 TYR H A 54 TYR HBx 1.0 0.0 4.14 520 464 A 60 VAL H A 60 VAL HG2% 1.0 0.0 4.17 521 465 A 60 VAL H A 59 PRO HG2 1.0 0.0 4.79 522 465 A 60 VAL H A 59 PRO HG3 1.0 0.0 4.79 523 466 A 61 LEU H A 61 LEU HD1% 1.0 0.0 4.63 524 467 A 63 THR H A 87 ASN H 1.0 0.0 5.68 525 468 A 63 THR H A 88 ALA H 1.0 0.0 5.20 526 469 A 63 THR H A 87 ASN HD21 1.0 0.0 5.52 527 470 A 63 THR H A 64 ALA HA 1.0 0.0 5.07 528 471 A 63 THR H A 88 ALA HB% 1.0 0.0 5.23 529 472 A 63 THR H A 62 PRO HG2 1.0 0.0 5.03 530 472 A 63 THR H A 62 PRO HG3 1.0 0.0 5.03 531 473 A 64 ALA H A 129 ASP HBy 1.0 0.0 5.09 532 474 A 67 THR H A 84 PHE H 1.0 0.0 5.23 533 475 A 67 THR H A 68 SER H 1.0 0.0 5.38 534 476 A 68 SER H A 69 ASP H 1.0 0.0 5.29 535 477 A 68 SER H A 69 ASP HA 1.0 0.0 5.84 536 478 A 70 ILE H A 71 THR HA 1.0 0.0 5.70 537 479 A 70 ILE H A 71 THR H 1.0 0.0 5.53 538 480 A 71 THR H A 72 GLU HA 1.0 0.0 5.30 539 481 A 71 THR H A 70 ILE HG1x 1.0 0.0 5.48 540 482 A 72 GLU H A 70 ILE HG1x 1.0 0.0 5.44 541 483 A 72 GLU H A 70 ILE HG1y 1.0 0.0 5.44 542 484 A 72 GLU H A 73 GLY H 1.0 0.0 4.83 543 485 A 73 GLY H A 138 LEU HD1% 1.0 0.0 4.50 544 486 A 73 GLY H A 74 PHE H 1.0 0.0 4.94 545 487 A 138 LEU H A 74 PHE H 1.0 0.0 6.08 546 488 A 74 PHE H A 75 ALA H 1.0 0.0 5.15 547 489 A 77 LEU HA A 78 SER H 1.0 0.0 3.63 548 490 A 78 SER H A 78 SER HBy 1.0 0.0 4.38 549 491 A 78 SER H A 78 SER HBx 1.0 0.0 4.38 550 492 A 78 SER H A 77 LEU HB2 1.0 0.0 5.27 551 492 A 78 SER H A 77 LEU HB3 1.0 0.0 5.27 552 493 A 78 SER H A 77 LEU HD1% 1.0 0.0 3.78 553 493 A 78 SER H A 77 LEU HD2% 1.0 0.0 3.78 554 494 A 79 VAL HG1% A 79 VAL H 1.0 0.0 4.84 555 495 A 79 VAL H A 77 LEU HD1% 1.0 0.0 5.62 556 495 A 77 LEU HD2% A 79 VAL H 1.0 0.0 5.62 557 496 A 79 VAL H A 79 VAL HG2% 1.0 0.0 4.23 558 497 A 79 VAL H A 79 VAL HB 1.0 0.0 4.23 559 498 A 79 VAL H A 78 SER HBx 1.0 0.0 5.02 560 499 A 79 VAL H A 78 SER HBy 1.0 0.0 5.02 561 500 A 109 THR HA A 79 VAL H 1.0 0.0 4.82 562 501 A 79 VAL H A 78 SER HA 1.0 0.0 3.35 563 502 A 84 PHE H A 84 PHE HD% 1.0 0.0 5.66 564 503 A 84 PHE H A 85 SER HB2 1.0 0.0 5.03 565 503 A 85 SER HB3 A 84 PHE H 1.0 0.0 5.03 566 504 A 120 LEU HG A 84 PHE H 1.0 0.0 5.49 567 505 A 64 ALA HA A 85 SER H 1.0 0.0 6.30 568 506 A 64 ALA HA A 129 ASP H 1.0 0.0 6.30 569 507 A 66 PHE HA A 85 SER H 1.0 0.0 5.80 570 508 A 130 SER HA A 129 ASP H 1.0 0.0 6.30 571 509 A 86 GLU H A 85 SER H 1.0 0.0 4.89 572 510 A 86 GLU H A 85 SER HB2 1.0 0.0 5.04 573 510 A 86 GLU H A 85 SER HB3 1.0 0.0 5.04 574 511 A 86 GLU H A 87 ASN H 1.0 0.0 5.47 575 512 A 62 PRO HA A 87 ASN H 1.0 0.0 5.22 576 513 A 87 ASN HD22 A 86 GLU HBx 1.0 0.0 5.63 577 514 A 60 VAL HG1% A 87 ASN HD22 1.0 0.0 5.34 578 515 A 60 VAL HG1% A 87 ASN HD21 1.0 0.0 5.20 579 516 A 87 ASN HD21 A 86 GLU HBx 1.0 0.0 5.19 580 517 A 88 ALA H A 62 PRO HG2 1.0 0.0 6.30 581 517 A 88 ALA H A 62 PRO HG3 1.0 0.0 6.30 582 518 A 87 ASN HB2 A 88 ALA H 1.0 0.0 5.00 583 519 A 88 ALA H A 85 SER HB2 1.0 0.0 5.43 584 519 A 85 SER HB3 A 88 ALA H 1.0 0.0 5.43 585 520 A 86 GLU H A 88 ALA H 1.0 0.0 5.40 586 521 A 89 THR H A 124 ASN HB2 1.0 0.0 4.95 587 521 A 89 THR H A 124 ASN HB3 1.0 0.0 4.95 588 522 A 89 THR H A 90 SER HA 1.0 0.0 6.00 589 523 A 90 SER H A 91 ARG HA 1.0 0.0 5.47 590 524 A 90 SER H A 122 VAL HA 1.0 0.0 6.06 591 525 A 88 ALA H A 90 SER H 1.0 0.0 6.21 592 526 A 92 LEU H A 93 TRP H 1.0 0.0 4.84 593 527 A 92 LEU H A 93 TRP HA 1.0 0.0 5.46 594 528 A 92 LEU H A 120 LEU HA 1.0 0.0 5.73 595 529 A 93 TRP H A 100 THR HA 1.0 0.0 6.16 596 530 A 93 TRP H A 94 MET H 1.0 0.0 4.70 597 531 A 94 MET H A 95 PHE HA 1.0 0.0 5.46 598 532 A 94 MET H A 95 PHE H 1.0 0.0 5.05 599 533 A 95 PHE H A 97 ASP H 1.0 0.0 5.08 600 534 A 96 GLY H A 94 MET HBy 1.0 0.0 5.28 601 535 A 96 GLY H A 94 MET HBx 1.0 0.0 5.28 602 536 A 97 ASP H A 95 PHE HB2 1.0 0.0 6.21 603 536 A 95 PHE HB3 A 97 ASP H 1.0 0.0 6.21 604 537 A 99 ASN H A 99 ASN HD2x 1.0 0.0 5.28 605 538 A 100 THR H A 101 SER H 1.0 0.0 6.30 606 539 A 92 LEU HG A 101 SER H 1.0 0.0 5.12 607 540 A 109 THR HA A 111 PHE H 1.0 0.0 6.02 608 541 A 118 VAL H A 132 SER HA 1.0 0.0 5.82 609 542 A 117 ILE HB A 118 VAL H 1.0 0.0 5.81 610 543 A 121 ILE H A 121 ILE HG2% 1.0 0.0 3.99 611 544 A 11 TRP HA A 11 TRP HE1 1.0 0.0 6.30 612 545 A 19 TRP HA A 19 TRP HE1 1.0 0.0 6.30 613 546 A 12 ASN HBx A 13 ASP H 1.0 0.0 6.10 614 547 A 13 ASP H A 12 ASN HBy 1.0 0.0 6.10 615 548 A 15 ARG H A 15 ARG HG2 1.0 0.0 5.42 616 548 A 15 ARG H A 15 ARG HG3 1.0 0.0 5.42 617 549 A 18 TYR H A 18 TYR HB2 1.0 0.0 4.38 618 549 A 18 TYR HB3 A 18 TYR H 1.0 0.0 4.38 619 550 A 19 TRP H A 19 TRP HBy 1.0 0.0 4.38 620 551 A 19 TRP H A 19 TRP HD1 1.0 0.0 5.11 621 552 A 22 TYR HA A 24 GLY H 1.0 0.0 5.75 622 553 A 28 ASN H A 27 GLU HG2 1.0 0.0 5.40 623 553 A 27 GLU HG3 A 28 ASN H 1.0 0.0 5.40 624 554 A 32 ILE HB A 33 GLY H 1.0 0.0 5.32 625 555 A 36 ALA H A 37 TYR HA 1.0 0.0 5.11 626 556 A 40 ASN H A 41 PRO HD2 1.0 0.0 5.28 627 556 A 40 ASN H A 41 PRO HD3 1.0 0.0 5.28 628 557 A 42 GLU H A 40 ASN HA 1.0 0.0 5.00 629 558 A 42 GLU H A 41 PRO HD2 1.0 0.0 4.73 630 558 A 42 GLU H A 41 PRO HD3 1.0 0.0 4.73 631 559 A 53 GLU H A 54 TYR HA 1.0 0.0 4.98 632 560 A 65 ARG H A 66 PHE HD% 1.0 0.0 5.24 633 561 A 65 ARG H A 66 PHE HB3 1.0 0.0 6.28 634 562 A 64 ALA H A 65 ARG H 1.0 0.0 5.67 635 563 A 67 THR H A 84 PHE HD% 1.0 0.0 4.82 636 564 A 73 GLY H A 136 ARG HB2 1.0 0.0 5.49 637 564 A 73 GLY H A 136 ARG HB3 1.0 0.0 5.49 638 565 A 78 SER H A 77 LEU H 1.0 0.0 4.97 639 566 A 109 THR HG2% A 78 SER H 1.0 0.0 5.74 640 567 A 65 ARG H A 84 PHE H 1.0 0.0 5.31 641 568 A 66 PHE H A 84 PHE H 1.0 0.0 5.84 642 569 A 84 PHE H A 65 ARG HB2 1.0 0.0 5.11 643 569 A 65 ARG HB3 A 84 PHE H 1.0 0.0 5.11 644 570 A 86 GLU H A 85 SER HG 1.0 0.0 5.40 645 571 A 86 GLU H A 64 ALA HA 1.0 0.0 5.50 646 572 A 86 GLU H A 65 ARG HB2 1.0 0.0 5.39 647 572 A 86 GLU H A 65 ARG HB3 1.0 0.0 5.39 648 573 A 87 ASN HD22 A 87 ASN HA 1.0 0.0 5.57 649 574 A 87 ASN HD22 A 86 GLU HG2 1.0 0.0 5.53 650 574 A 86 GLU HG3 A 87 ASN HD22 1.0 0.0 5.53 651 575 A 87 ASN HD21 A 86 GLU HG2 1.0 0.0 5.04 652 575 A 86 GLU HG3 A 87 ASN HD21 1.0 0.0 5.04 653 576 A 62 PRO HA A 87 ASN HD21 1.0 0.0 4.50 654 577 A 86 GLU HA A 87 ASN HD21 1.0 0.0 5.48 655 578 A 90 SER H A 124 ASN HB2 1.0 0.0 5.62 656 578 A 90 SER H A 124 ASN HB3 1.0 0.0 5.62 657 579 A 95 PHE H A 94 MET HBx 1.0 0.0 5.28 658 580 A 110 PHE H A 78 SER HA 1.0 0.0 5.18 659 581 A 112 ASN H A 116 TYR HE% 1.0 0.0 5.30 660 582 A 137 ALA HB% A 113 GLU H 1.0 0.0 5.65 661 583 A 66 PHE HD% A 120 LEU H 1.0 0.0 5.94 662 584 A 64 ALA HB% A 129 ASP H 1.0 0.0 4.99 663 585 A 64 ALA H A 130 SER H 1.0 0.0 5.71 664 586 A 66 PHE HE% A 131 ALA H 1.0 0.0 5.45 665 587 A 66 PHE HE% A 132 SER H 1.0 0.0 4.63 666 588 A 135 ILE H A 135 ILE HG13 1.0 0.0 4.91 667 589 A 136 ARG H A 71 THR HA 1.0 0.0 6.30 668 590 A 116 TYR HD% A 137 ALA H 1.0 0.0 5.95 669 591 A 113 GLU HA A 137 ALA H 1.0 0.0 6.30 670 592 A 15 ARG HA A 14 SER HB2 1.0 0.0 4.34 671 592 A 14 SER HB3 A 15 ARG HA 1.0 0.0 4.34 672 593 A 15 ARG HA A 16 GLY HA2 1.0 0.0 4.15 673 593 A 15 ARG HA A 16 GLY HA3 1.0 0.0 4.15 674 594 A 23 GLU HA A 23 GLU HG2 1.0 0.0 3.91 675 594 A 23 GLU HA A 23 GLU HG3 1.0 0.0 3.91 676 595 A 4 ARG HA A 4 ARG HG2 1.0 0.0 4.21 677 595 A 4 ARG HA A 4 ARG HG3 1.0 0.0 4.21 678 596 A 65 ARG HB2 A 65 ARG HD2 1.0 0.0 4.20 679 596 A 65 ARG HB3 A 65 ARG HD2 1.0 0.0 4.20 680 596 A 65 ARG HD3 A 65 ARG HB2 1.0 0.0 4.20 681 596 A 65 ARG HB3 A 65 ARG HD3 1.0 0.0 4.20 682 597 A 20 SER HA A 21 ASP HA 1.0 0.0 4.90 683 598 A 22 TYR HA A 23 GLU HA 1.0 0.0 4.69 684 599 A 23 GLU HA A 24 GLY HA2 1.0 0.0 4.66 685 599 A 23 GLU HA A 24 GLY HA3 1.0 0.0 4.66 686 600 A 139 GLU H A 139 GLU HG2 1.0 0.0 4.40 687 600 A 139 GLU H A 139 GLU HG3 1.0 0.0 4.40 688 601 A 139 GLU HA A 139 GLU HG2 1.0 0.0 3.99 689 601 A 139 GLU HA A 139 GLU HG3 1.0 0.0 3.99 690 602 A 32 ILE HA A 31 GLY HA2 1.0 0.0 4.37 691 602 A 31 GLY HA3 A 32 ILE HA 1.0 0.0 4.37 692 603 A 32 ILE HA A 32 ILE HG2% 1.0 0.0 3.94 693 604 A 117 ILE HB A 117 ILE HD1% 1.0 0.0 3.44 694 605 A 65 ARG H A 65 ARG HGx 1.0 0.0 5.60 695 606 A 36 ALA HA A 35 SER HBy 1.0 0.0 5.23 696 607 A 37 TYR HA A 37 TYR HD% 1.0 0.0 4.37 697 608 A 54 TYR HA A 54 TYR HD% 1.0 0.0 4.70 698 609 A 37 TYR HA A 38 ALA HA 1.0 0.0 4.74 699 610 A 36 ALA HA A 37 TYR HA 1.0 0.0 5.18 700 611 A 54 TYR HA A 55 LEU HA 1.0 0.0 5.55 701 612 A 38 ALA HA A 39 VAL HA 1.0 0.0 4.62 702 613 A 39 VAL HA A 39 VAL HG1% 1.0 0.0 3.62 703 613 A 39 VAL HG2% A 39 VAL HA 1.0 0.0 3.62 704 614 A 38 ALA HB% A 39 VAL HG1% 1.0 0.0 3.97 705 614 A 38 ALA HB% A 39 VAL HG2% 1.0 0.0 3.97 706 615 A 40 ASN HA A 41 PRO HD2 1.0 0.0 3.12 707 615 A 41 PRO HD3 A 40 ASN HA 1.0 0.0 3.12 708 616 A 60 VAL H A 60 VAL HB 1.0 0.0 3.73 709 617 A 43 ALA HB% A 44 GLY HA2 1.0 0.0 4.29 710 617 A 43 ALA HB% A 44 GLY HA3 1.0 0.0 4.29 711 618 A 36 ALA HA A 35 SER HBx 1.0 0.0 5.23 712 619 A 43 ALA HA A 44 GLY HA2 1.0 0.0 4.15 713 619 A 44 GLY HA3 A 43 ALA HA 1.0 0.0 4.15 714 620 A 32 ILE HA A 33 GLY HA2 1.0 0.0 4.15 715 620 A 32 ILE HA A 33 GLY HA3 1.0 0.0 4.15 716 621 A 138 LEU H A 138 LEU HG 1.0 0.0 4.49 717 622 A 61 LEU H A 60 VAL HG2% 1.0 0.0 4.34 718 623 A 60 VAL HA A 60 VAL HG2% 1.0 0.0 3.93 719 624 A 87 ASN HB2 A 60 VAL HG2% 1.0 0.0 4.39 720 625 A 87 ASN HB3 A 60 VAL HG2% 1.0 0.0 4.12 721 626 A 61 LEU HD1% A 61 LEU HB2 1.0 0.0 3.13 722 626 A 61 LEU HB3 A 61 LEU HD1% 1.0 0.0 3.13 723 627 A 61 LEU HD2% A 61 LEU HA 1.0 0.0 3.75 724 628 A 61 LEU HD2% A 61 LEU HB2 1.0 0.0 3.31 725 628 A 61 LEU HB3 A 61 LEU HD2% 1.0 0.0 3.31 726 629 A 86 GLU H A 63 THR HB 1.0 0.0 4.53 727 630 A 63 THR HB A 86 GLU HG2 1.0 0.0 5.33 728 630 A 63 THR HB A 86 GLU HG3 1.0 0.0 5.33 729 631 A 63 THR HB A 62 PRO HB2 1.0 0.0 5.61 730 632 A 63 THR HG2% A 63 THR HA 1.0 0.0 3.52 731 633 A 63 THR HA A 64 ALA HB% 1.0 0.0 4.60 732 634 A 64 ALA H A 63 THR HG2% 1.0 0.0 3.93 733 635 A 10 THR HG2% A 10 THR HA 1.0 0.0 3.61 734 636 A 63 THR HG2% A 65 ARG HD2 1.0 0.0 4.36 735 636 A 63 THR HG2% A 65 ARG HD3 1.0 0.0 4.36 736 637 A 64 ALA H A 64 ALA HB% 1.0 0.0 3.50 737 638 A 64 ALA HB% A 130 SER HA 1.0 0.0 4.09 738 639 A 64 ALA HB% A 85 SER HB2 1.0 0.0 5.69 739 639 A 85 SER HB3 A 64 ALA HB% 1.0 0.0 5.69 740 640 A 64 ALA HB% A 129 ASP HBy 1.0 0.0 4.67 741 641 A 64 ALA HB% A 129 ASP HBx 1.0 0.0 4.67 742 642 A 64 ALA HB% A 131 ALA HB% 1.0 0.0 2.86 743 643 A 122 VAL HG2% A 64 ALA HB% 1.0 0.0 3.45 744 644 A 64 ALA HB% A 120 LEU HG 1.0 0.0 5.27 745 645 A 65 ARG H A 65 ARG HGy 1.0 0.0 5.60 746 646 A 66 PHE HA A 83 ASP HA 1.0 0.0 5.17 747 647 A 66 PHE HE% A 133 VAL HG1% 1.0 0.0 3.37 748 647 A 133 VAL HG2% A 66 PHE HE% 1.0 0.0 3.37 749 648 A 133 VAL HA A 133 VAL HG1% 1.0 0.0 3.86 750 648 A 133 VAL HA A 133 VAL HG2% 1.0 0.0 3.86 751 649 A 118 VAL HB A 133 VAL HG1% 1.0 0.0 3.85 752 649 A 133 VAL HG2% A 118 VAL HB 1.0 0.0 3.85 753 650 A 79 VAL HG1% A 68 SER HBx 1.0 0.0 5.48 754 651 A 121 ILE HA A 130 SER HB2 1.0 0.0 4.14 755 651 A 121 ILE HA A 130 SER HB3 1.0 0.0 4.14 756 652 A 130 SER HB3 A 121 ILE HG1y 1.0 0.0 4.61 757 652 A 121 ILE HG1y A 130 SER HB2 1.0 0.0 4.61 758 653 A 130 SER HB3 A 121 ILE HG1x 1.0 0.0 4.61 759 653 A 121 ILE HG1x A 130 SER HB2 1.0 0.0 4.61 760 654 A 70 ILE HB A 70 ILE HD1% 1.0 0.0 3.97 761 655 A 70 ILE HG2% A 71 THR H 1.0 0.0 4.30 762 656 A 70 ILE HG2% A 72 GLU H 1.0 0.0 4.76 763 657 A 70 ILE HG2% A 70 ILE HA 1.0 0.0 3.54 764 658 A 71 THR HG2% A 71 THR HA 1.0 0.0 3.66 765 659 A 70 ILE HA A 71 THR HG2% 1.0 0.0 4.67 766 660 A 71 THR HB A 72 GLU HA 1.0 0.0 5.30 767 661 A 72 GLU HA A 136 ARG HB2 1.0 0.0 5.03 768 661 A 72 GLU HA A 136 ARG HB3 1.0 0.0 5.03 769 662 A 75 ALA HB% A 114 GLY H 1.0 0.0 4.85 770 663 A 75 ALA HB% A 112 ASN HA 1.0 0.0 5.20 771 664 A 74 PHE HA A 75 ALA HB% 1.0 0.0 4.53 772 665 A 75 ALA HB% A 113 GLU HA 1.0 0.0 4.13 773 666 A 75 ALA HB% A 111 PHE HA 1.0 0.0 5.04 774 667 A 75 ALA HB% A 113 GLU HG2 1.0 0.0 4.35 775 667 A 75 ALA HB% A 113 GLU HG3 1.0 0.0 4.35 776 668 A 137 ALA HB% A 75 ALA HB% 1.0 0.0 3.30 777 669 A 67 THR HG2% A 82 LYS HBx 1.0 0.0 4.96 778 670 A 85 SER HA A 65 ARG HB2 1.0 0.0 4.30 779 670 A 85 SER HA A 65 ARG HB3 1.0 0.0 4.30 780 671 A 89 THR HG2% A 89 THR HA 1.0 0.0 3.40 781 672 A 86 GLU HA A 86 GLU HG2 1.0 0.0 4.12 782 672 A 86 GLU HG3 A 86 GLU HA 1.0 0.0 4.12 783 673 A 88 ALA HB% A 91 ARG HA 1.0 0.0 4.88 784 674 A 88 ALA HB% A 122 VAL HA 1.0 0.0 5.15 785 675 A 88 ALA HB% A 85 SER HB2 1.0 0.0 4.74 786 675 A 85 SER HB3 A 88 ALA HB% 1.0 0.0 4.74 787 676 A 88 ALA HB% A 122 VAL HB 1.0 0.0 3.71 788 677 A 62 PRO HB2 A 88 ALA HB% 1.0 0.0 4.56 789 678 A 122 VAL HG2% A 88 ALA HB% 1.0 0.0 4.02 790 679 A 91 ARG HA A 123 SER H 1.0 0.0 4.53 791 680 A 122 VAL HG1% A 91 ARG HB3 1.0 0.0 4.95 792 681 A 94 MET HA A 94 MET HG2 1.0 0.0 4.16 793 681 A 94 MET HG3 A 94 MET HA 1.0 0.0 4.16 794 682 A 94 MET HG3 A 92 LEU HDx% 1.0 0.0 4.98 795 682 A 92 LEU HDx% A 94 MET HG2 1.0 0.0 4.98 796 683 A 94 MET HG3 A 92 LEU HDy% 1.0 0.0 4.98 797 683 A 92 LEU HDy% A 94 MET HG2 1.0 0.0 4.98 798 684 A 100 THR HA A 100 THR HG2% 1.0 0.0 3.60 799 685 A 100 THR HG2% A 101 SER HB2 1.0 0.0 5.23 800 685 A 100 THR HG2% A 101 SER HB3 1.0 0.0 5.23 801 686 A 94 MET HA A 100 THR HG2% 1.0 0.0 3.85 802 687 A 100 THR HG2% A 94 MET HG2 1.0 0.0 3.62 803 687 A 94 MET HG3 A 100 THR HG2% 1.0 0.0 3.62 804 688 A 45 SER HB3 A 46 MET HG2 1.0 0.0 4.91 805 688 A 45 SER HB2 A 46 MET HG2 1.0 0.0 4.91 806 688 A 46 MET HG3 A 45 SER HB2 1.0 0.0 4.91 807 688 A 45 SER HB3 A 46 MET HG3 1.0 0.0 4.91 808 689 A 109 THR HG2% A 78 SER HA 1.0 0.0 4.71 809 690 A 109 THR HG2% A 77 LEU HA 1.0 0.0 4.04 810 691 A 109 THR HG2% A 111 PHE HA 1.0 0.0 4.53 811 692 A 109 THR HG2% A 79 VAL HG2% 1.0 0.0 5.35 812 693 A 53 GLU HA A 54 TYR HA 1.0 0.0 4.76 813 694 A 77 LEU HA A 111 PHE HA 1.0 0.0 5.38 814 695 A 115 GLU H A 115 GLU HGy 1.0 0.0 5.26 815 696 A 134 THR HG2% A 115 GLU HGy 1.0 0.0 4.29 816 697 A 134 THR HG2% A 115 GLU HGx 1.0 0.0 4.29 817 698 A 116 TYR HA A 117 ILE HB 1.0 0.0 5.15 818 699 A 117 ILE HD1% A 117 ILE HA 1.0 0.0 4.24 819 700 A 117 ILE HG2% A 117 ILE HA 1.0 0.0 3.97 820 701 A 117 ILE HG2% A 135 ILE HD1% 1.0 0.0 5.12 821 702 A 66 PHE HD% A 118 VAL HG1% 1.0 0.0 4.23 822 703 A 118 VAL HG1% A 118 VAL HA 1.0 0.0 3.99 823 704 A 118 VAL HG1% A 133 VAL HG1% 1.0 0.0 4.13 824 704 A 133 VAL HG2% A 118 VAL HG1% 1.0 0.0 4.13 825 705 A 118 VAL H A 118 VAL HG2% 1.0 0.0 4.15 826 706 A 66 PHE HD% A 118 VAL HG2% 1.0 0.0 5.39 827 707 A 118 VAL HA A 118 VAL HG2% 1.0 0.0 4.15 828 708 A 117 ILE HA A 118 VAL HG2% 1.0 0.0 4.15 829 709 A 118 VAL HG2% A 135 ILE HG13 1.0 0.0 4.35 830 710 A 118 VAL HG2% A 133 VAL HG1% 1.0 0.0 4.32 831 710 A 133 VAL HG2% A 118 VAL HG2% 1.0 0.0 4.32 832 711 A 118 VAL HG2% A 135 ILE HD1% 1.0 0.0 4.43 833 712 A 117 ILE HG2% A 118 VAL HG2% 1.0 0.0 4.85 834 713 A 91 ARG HA A 120 LEU HD1% 1.0 0.0 4.66 835 713 A 91 ARG HA A 120 LEU HD2% 1.0 0.0 4.66 836 714 A 122 VAL HA A 120 LEU HD1% 1.0 0.0 5.07 837 714 A 120 LEU HD2% A 122 VAL HA 1.0 0.0 5.07 838 715 A 64 ALA HA A 120 LEU HD1% 1.0 0.0 4.78 839 715 A 64 ALA HA A 120 LEU HD2% 1.0 0.0 4.78 840 716 A 93 TRP HA A 120 LEU HD1% 1.0 0.0 5.42 841 716 A 120 LEU HD2% A 93 TRP HA 1.0 0.0 5.42 842 717 A 121 ILE HA A 120 LEU HD1% 1.0 0.0 5.40 843 717 A 120 LEU HD2% A 121 ILE HA 1.0 0.0 5.40 844 718 A 120 LEU HA A 120 LEU HD1% 1.0 0.0 3.83 845 718 A 120 LEU HD2% A 120 LEU HA 1.0 0.0 3.83 846 719 A 91 ARG HB2 A 120 LEU HD1% 1.0 0.0 4.55 847 719 A 120 LEU HD2% A 91 ARG HB2 1.0 0.0 4.55 848 720 A 91 ARG HB3 A 120 LEU HD1% 1.0 0.0 4.01 849 720 A 120 LEU HD2% A 91 ARG HB3 1.0 0.0 4.01 850 721 A 64 ALA HB% A 120 LEU HD1% 1.0 0.0 4.90 851 721 A 64 ALA HB% A 120 LEU HD2% 1.0 0.0 4.90 852 722 A 122 VAL HG1% A 120 LEU HD1% 1.0 0.0 3.55 853 722 A 122 VAL HG1% A 120 LEU HD2% 1.0 0.0 3.55 854 723 A 122 VAL HG2% A 120 LEU HD1% 1.0 0.0 4.42 855 723 A 122 VAL HG2% A 120 LEU HD2% 1.0 0.0 4.42 856 724 A 85 SER HG A 120 LEU HG 1.0 0.0 4.77 857 725 A 120 LEU HG A 66 PHE HB3 1.0 0.0 4.90 858 726 A 122 VAL HG2% A 120 LEU HG 1.0 0.0 5.17 859 727 A 121 ILE H A 121 ILE HD1% 1.0 0.0 4.84 860 728 A 121 ILE HD1% A 121 ILE HB 1.0 0.0 3.66 861 729 A 121 ILE HG2% A 93 TRP H 1.0 0.0 5.39 862 730 A 121 ILE HG2% A 94 MET H 1.0 0.0 4.56 863 731 A 121 ILE HG2% A 122 VAL H 1.0 0.0 4.97 864 732 A 121 ILE HG2% A 121 ILE HA 1.0 0.0 3.91 865 733 A 121 ILE HG2% A 130 SER HB2 1.0 0.0 4.23 866 733 A 121 ILE HG2% A 130 SER HB3 1.0 0.0 4.23 867 734 A 121 ILE HG2% A 121 ILE HG1y 1.0 0.0 3.87 868 735 A 121 ILE HG2% A 121 ILE HG1x 1.0 0.0 3.87 869 736 A 122 VAL HG2% A 122 VAL H 1.0 0.0 3.85 870 737 A 122 VAL HG2% A 64 ALA HA 1.0 0.0 4.02 871 738 A 62 PRO HB2 A 122 VAL HG2% 1.0 0.0 3.85 872 739 A 62 PRO HB3 A 122 VAL HG2% 1.0 0.0 4.05 873 740 A 122 VAL HG1% A 91 ARG HA 1.0 0.0 4.05 874 741 A 122 VAL HG1% A 122 VAL HA 1.0 0.0 4.24 875 742 A 122 VAL HG1% A 88 ALA HB% 1.0 0.0 3.81 876 743 A 122 VAL HG1% A 120 LEU HG 1.0 0.0 4.37 877 744 A 62 PRO HB2 A 122 VAL HB 1.0 0.0 4.60 878 745 A 61 LEU HD2% A 126 ASN HB2 1.0 0.0 4.98 879 745 A 61 LEU HD2% A 126 ASN HB3 1.0 0.0 4.98 880 746 A 62 PRO HB2 A 128 SER HA 1.0 0.0 5.10 881 747 A 79 VAL HG1% A 68 SER HBy 1.0 0.0 5.48 882 748 A 66 PHE HE% A 131 ALA HB% 1.0 0.0 3.75 883 749 A 66 PHE HE% A 132 SER HA 1.0 0.0 4.69 884 750 A 132 SER HA A 119 SER HA 1.0 0.0 4.35 885 751 A 135 ILE HG13 A 133 VAL HG1% 1.0 0.0 4.28 886 751 A 133 VAL HG2% A 135 ILE HG13 1.0 0.0 4.28 887 752 A 133 VAL HA A 134 THR HB 1.0 0.0 5.07 888 753 A 134 THR HB A 133 VAL HG1% 1.0 0.0 4.77 889 753 A 134 THR HB A 133 VAL HG2% 1.0 0.0 4.77 890 754 A 134 THR HG2% A 134 THR HA 1.0 0.0 3.76 891 755 A 135 ILE HA A 135 ILE HD1% 1.0 0.0 3.73 892 756 A 135 ILE HD1% A 71 THR HA 1.0 0.0 4.08 893 757 A 135 ILE HD1% A 133 VAL HG1% 1.0 0.0 3.31 894 757 A 133 VAL HG2% A 135 ILE HD1% 1.0 0.0 3.31 895 758 A 135 ILE HG2% A 135 ILE HD1% 1.0 0.0 3.23 896 759 A 135 ILE HG2% A 110 PHE HE% 1.0 0.0 4.90 897 760 A 135 ILE HG2% A 110 PHE HZ 1.0 0.0 5.64 898 761 A 137 ALA HA A 135 ILE HG2% 1.0 0.0 4.79 899 762 A 135 ILE HG2% A 135 ILE HA 1.0 0.0 4.07 900 763 A 135 ILE HG2% A 71 THR HA 1.0 0.0 4.56 901 764 A 135 ILE HG12 A 135 ILE HG2% 1.0 0.0 3.63 902 765 A 135 ILE HG2% A 133 VAL HG1% 1.0 0.0 5.57 903 765 A 133 VAL HG2% A 135 ILE HG2% 1.0 0.0 5.57 904 766 A 137 ALA HB% A 75 ALA HA 1.0 0.0 4.74 905 767 A 137 ALA HB% A 113 GLU HA 1.0 0.0 3.78 906 768 A 138 LEU H A 138 LEU HD2% 1.0 0.0 4.42 907 769 A 139 GLU H A 138 LEU HD2% 1.0 0.0 4.13 908 770 A 138 LEU HA A 138 LEU HD2% 1.0 0.0 3.48 909 771 A 139 GLU HA A 138 LEU HD2% 1.0 0.0 5.52 910 772 A 138 LEU HD2% A 72 GLU HGx 1.0 0.0 4.81 911 773 A 138 LEU HD2% A 138 LEU HBy 1.0 0.0 3.76 912 774 A 138 LEU HD2% A 138 LEU HBx 1.0 0.0 3.76 913 775 A 138 LEU HD1% A 138 LEU HBy 1.0 0.0 4.04 914 776 A 138 LEU HD1% A 138 LEU HBx 1.0 0.0 4.04 915 777 A 59 PRO HA A 60 VAL HG1% 1.0 0.0 5.26 916 778 A 59 PRO HA A 60 VAL HA 1.0 0.0 5.80 917 779 A 74 PHE HA A 138 LEU HBx 1.0 0.0 5.52 918 780 A 73 GLY H A 138 LEU HD2% 1.0 0.0 4.95 919 781 A 72 GLU HA A 138 LEU HD2% 1.0 0.0 6.11 920 782 A 138 LEU HD2% A 72 GLU HGy 1.0 0.0 4.81 921 783 A 137 ALA HA A 138 LEU HD1% 1.0 0.0 6.30 922 784 A 138 LEU HD1% A 138 LEU HA 1.0 0.0 5.11 923 785 A 72 GLU HA A 137 ALA HA 1.0 0.0 5.62 924 786 A 137 ALA HA A 136 ARG HA 1.0 0.0 5.75 925 787 A 137 ALA HB% A 138 LEU HA 1.0 0.0 4.85 926 788 A 74 PHE HA A 137 ALA HB% 1.0 0.0 5.38 927 789 A 137 ALA HB% A 115 GLU HA 1.0 0.0 5.42 928 790 A 137 ALA HB% A 136 ARG HA 1.0 0.0 6.06 929 791 A 135 ILE HA A 71 THR HA 1.0 0.0 5.23 930 792 A 70 ILE HD1% A 135 ILE HB 1.0 0.0 5.85 931 793 A 135 ILE HG2% A 135 ILE HG13 1.0 0.0 4.05 932 794 A 70 ILE HD1% A 135 ILE HG13 1.0 0.0 5.43 933 795 A 135 ILE H A 135 ILE HD1% 1.0 0.0 5.16 934 796 A 134 THR HB A 135 ILE HD1% 1.0 0.0 6.06 935 797 A 70 ILE HD1% A 135 ILE HD1% 1.0 0.0 4.53 936 798 A 117 ILE HA A 134 THR HA 1.0 0.0 4.21 937 799 A 133 VAL HA A 134 THR HA 1.0 0.0 5.55 938 800 A 117 ILE HD1% A 134 THR HA 1.0 0.0 6.30 939 801 A 134 THR HB A 135 ILE H 1.0 0.0 5.59 940 802 A 134 THR HB A 135 ILE HA 1.0 0.0 6.20 941 803 A 133 VAL HA A 134 THR HG2% 1.0 0.0 5.99 942 804 A 133 VAL HB A 118 VAL HG2% 1.0 0.0 6.30 943 805 A 133 VAL HB A 135 ILE HG12 1.0 0.0 6.30 944 806 A 132 SER HA A 133 VAL HG1% 1.0 0.0 5.34 945 806 A 133 VAL HG2% A 132 SER HA 1.0 0.0 5.34 946 807 A 134 THR HA A 133 VAL HG1% 1.0 0.0 5.43 947 807 A 133 VAL HG2% A 134 THR HA 1.0 0.0 5.43 948 808 A 135 ILE HG12 A 133 VAL HG1% 1.0 0.0 4.80 949 808 A 133 VAL HG2% A 135 ILE HG12 1.0 0.0 4.80 950 809 A 135 ILE HB A 133 VAL HG1% 1.0 0.0 6.30 951 809 A 133 VAL HG2% A 135 ILE HB 1.0 0.0 6.30 952 810 A 132 SER HA A 131 ALA HA 1.0 0.0 5.94 953 811 A 133 VAL HA A 132 SER HA 1.0 0.0 5.79 954 812 A 117 ILE HG2% A 132 SER HBy 1.0 0.0 4.39 955 813 A 131 ALA HA A 132 SER HBx 1.0 0.0 5.16 956 814 A 131 ALA HA A 132 SER HBy 1.0 0.0 5.16 957 815 A 117 ILE HG2% A 132 SER HBx 1.0 0.0 4.39 958 816 A 132 SER HA A 131 ALA HB% 1.0 0.0 5.79 959 817 A 130 SER HA A 131 ALA HB% 1.0 0.0 5.48 960 818 A 131 ALA HB% A 130 SER HB2 1.0 0.0 6.30 961 818 A 130 SER HB3 A 131 ALA HB% 1.0 0.0 6.30 962 819 A 131 ALA HB% A 133 VAL HG1% 1.0 0.0 6.30 963 819 A 133 VAL HG2% A 131 ALA HB% 1.0 0.0 6.30 964 820 A 121 ILE HA A 130 SER HA 1.0 0.0 4.35 965 821 A 122 VAL HG1% A 130 SER HA 1.0 0.0 6.30 966 822 A 122 VAL H A 130 SER HB2 1.0 0.0 4.94 967 822 A 122 VAL H A 130 SER HB3 1.0 0.0 4.94 968 823 A 129 ASP HA A 130 SER HB2 1.0 0.0 4.66 969 823 A 129 ASP HA A 130 SER HB3 1.0 0.0 4.66 970 824 A 131 ALA HA A 130 SER HB2 1.0 0.0 6.30 971 824 A 131 ALA HA A 130 SER HB3 1.0 0.0 6.30 972 825 A 121 ILE HD1% A 130 SER HB2 1.0 0.0 4.55 973 825 A 121 ILE HD1% A 130 SER HB3 1.0 0.0 4.55 974 826 A 130 SER HA A 129 ASP HA 1.0 0.0 5.05 975 827 A 121 ILE HD1% A 128 SER HA 1.0 0.0 6.30 976 828 A 122 VAL HG1% A 128 SER HA 1.0 0.0 6.30 977 829 A 122 VAL HG2% A 128 SER HA 1.0 0.0 5.78 978 830 A 123 SER HA A 128 SER HA 1.0 0.0 4.05 979 831 A 125 GLU HA A 124 ASN HB2 1.0 0.0 5.48 980 831 A 124 ASN HB3 A 125 GLU HA 1.0 0.0 5.48 981 832 A 126 ASN H A 125 GLU HGy 1.0 0.0 4.74 982 833 A 125 GLU HA A 125 GLU HGy 1.0 0.0 4.46 983 834 A 125 GLU HA A 125 GLU HGx 1.0 0.0 4.46 984 835 A 124 ASN HA A 125 GLU HB2 1.0 0.0 4.82 985 835 A 124 ASN HA A 125 GLU HB3 1.0 0.0 4.82 986 836 A 123 SER HA A 124 ASN HB2 1.0 0.0 6.30 987 836 A 123 SER HA A 124 ASN HB3 1.0 0.0 6.30 988 837 A 123 SER HA A 62 PRO HG2 1.0 0.0 5.79 989 837 A 123 SER HA A 62 PRO HG3 1.0 0.0 5.79 990 838 A 62 PRO HB2 A 123 SER HA 1.0 0.0 5.84 991 839 A 123 SER HB3 A 128 SER HA 1.0 0.0 5.33 992 840 A 124 ASN HA A 123 SER HB3 1.0 0.0 6.30 993 841 A 122 VAL HG1% A 85 SER H 1.0 0.0 5.84 994 842 A 64 ALA HA A 122 VAL HG1% 1.0 0.0 5.26 995 843 A 109 THR HA A 79 VAL HG2% 1.0 0.0 5.59 996 844 A 122 VAL HG1% A 121 ILE HA 1.0 0.0 5.39 997 845 A 85 SER HA A 122 VAL HG1% 1.0 0.0 5.81 998 846 A 122 VAL HG1% A 88 ALA HA 1.0 0.0 6.30 999 847 A 118 VAL HG2% A 79 VAL HG2% 1.0 0.0 6.29 1000 848 A 122 VAL HG2% A 63 THR HA 1.0 0.0 6.30 1001 849 A 122 VAL HG2% A 121 ILE HA 1.0 0.0 6.30 1002 850 A 122 VAL HG2% A 85 SER HB2 1.0 0.0 5.08 1003 850 A 85 SER HB3 A 122 VAL HG2% 1.0 0.0 5.08 1004 851 A 120 LEU HA A 121 ILE HB 1.0 0.0 5.83 1005 852 A 121 ILE HG2% A 130 SER HA 1.0 0.0 5.48 1006 853 A 121 ILE HG2% A 122 VAL HA 1.0 0.0 5.24 1007 854 A 121 ILE HG2% A 120 LEU HA 1.0 0.0 5.75 1008 855 A 122 VAL H A 121 ILE HG1x 1.0 0.0 5.29 1009 856 A 122 VAL H A 121 ILE HG1y 1.0 0.0 5.29 1010 857 A 121 ILE HD1% A 130 SER HA 1.0 0.0 5.53 1011 858 A 121 ILE HD1% A 121 ILE HA 1.0 0.0 4.95 1012 859 A 85 SER H A 120 LEU HD1% 1.0 0.0 5.43 1013 859 A 85 SER H A 120 LEU HD2% 1.0 0.0 5.43 1014 860 A 94 MET H A 120 LEU HD1% 1.0 0.0 6.00 1015 860 A 120 LEU HD2% A 94 MET H 1.0 0.0 6.00 1016 861 A 122 VAL H A 120 LEU HD1% 1.0 0.0 6.20 1017 861 A 120 LEU HD2% A 122 VAL H 1.0 0.0 6.20 1018 862 A 122 VAL HB A 120 LEU HD1% 1.0 0.0 6.03 1019 862 A 120 LEU HD2% A 122 VAL HB 1.0 0.0 6.03 1020 863 A 117 ILE HG2% A 119 SER HA 1.0 0.0 5.49 1021 864 A 118 VAL HG2% A 133 VAL H 1.0 0.0 5.51 1022 865 A 118 VAL HG1% A 119 SER HA 1.0 0.0 5.25 1023 866 A 66 PHE HB3 A 118 VAL HG1% 1.0 0.0 5.44 1024 867 A 117 ILE HA A 133 VAL H 1.0 0.0 4.88 1025 868 A 117 ILE HA A 133 VAL HG1% 1.0 0.0 5.50 1026 868 A 133 VAL HG2% A 117 ILE HA 1.0 0.0 5.50 1027 869 A 117 ILE HG2% A 132 SER HA 1.0 0.0 5.60 1028 870 A 117 ILE HG2% A 134 THR HA 1.0 0.0 5.25 1029 871 A 116 TYR HA A 117 ILE HG2% 1.0 0.0 5.90 1030 872 A 115 GLU H A 115 GLU HGx 1.0 0.0 5.26 1031 873 A 113 GLU HA A 113 GLU HG2 1.0 0.0 4.45 1032 873 A 113 GLU HG3 A 113 GLU HA 1.0 0.0 4.45 1033 874 A 75 ALA H A 113 GLU HA 1.0 0.0 5.30 1034 875 A 137 ALA HB% A 113 GLU HBy 1.0 0.0 4.92 1035 876 A 137 ALA HB% A 113 GLU HBx 1.0 0.0 4.92 1036 877 A 137 ALA HB% A 113 GLU HG2 1.0 0.0 5.00 1037 877 A 137 ALA HB% A 113 GLU HG3 1.0 0.0 5.00 1038 878 A 112 ASN HA A 111 PHE HD% 1.0 0.0 6.30 1039 879 A 110 PHE HA A 111 PHE HA 1.0 0.0 4.91 1040 880 A 109 THR HA A 110 PHE HA 1.0 0.0 4.70 1041 881 A 110 PHE HD% A 110 PHE HA 1.0 0.0 5.41 1042 882 A 109 THR HA A 109 THR HG2% 1.0 0.0 4.07 1043 883 A 100 THR HA A 94 MET HA 1.0 0.0 5.13 1044 884 A 100 THR HA A 93 TRP HB2 1.0 0.0 5.90 1045 884 A 93 TRP HB3 A 100 THR HA 1.0 0.0 5.90 1046 885 A 96 GLY H A 100 THR HG2% 1.0 0.0 5.33 1047 886 A 100 THR HG2% A 99 ASN HA 1.0 0.0 4.57 1048 887 A 95 PHE HD% A 95 PHE HA 1.0 0.0 4.68 1049 888 A 92 LEU HA A 101 SER H 1.0 0.0 5.40 1050 889 A 92 LEU HA A 93 TRP HB2 1.0 0.0 5.03 1051 889 A 92 LEU HA A 93 TRP HB3 1.0 0.0 5.03 1052 890 A 92 LEU H A 91 ARG HB2 1.0 0.0 5.11 1053 891 A 88 ALA HB% A 89 THR HB 1.0 0.0 5.41 1054 892 A 87 ASN H A 88 ALA HB% 1.0 0.0 4.98 1055 893 A 86 GLU HA A 88 ALA HB% 1.0 0.0 5.47 1056 894 A 88 ALA HB% A 90 SER HA 1.0 0.0 6.07 1057 895 A 62 PRO HA A 88 ALA HB% 1.0 0.0 5.66 1058 896 A 63 THR H A 87 ASN HA 1.0 0.0 6.30 1059 897 A 87 ASN HD21 A 87 ASN HA 1.0 0.0 4.61 1060 898 A 62 PRO HA A 87 ASN HA 1.0 0.0 5.03 1061 899 A 60 VAL HG1% A 87 ASN HA 1.0 0.0 6.14 1062 900 A 60 VAL HG2% A 87 ASN HA 1.0 0.0 5.63 1063 901 A 62 PRO HA A 87 ASN HB2 1.0 0.0 4.75 1064 902 A 62 PRO HA A 87 ASN HB3 1.0 0.0 5.37 1065 903 A 60 VAL HB A 87 ASN HB3 1.0 0.0 6.30 1066 904 A 62 PRO HB2 A 87 ASN HB3 1.0 0.0 6.30 1067 905 A 60 VAL HG1% A 87 ASN HB3 1.0 0.0 5.34 1068 906 A 85 SER HB3 A 86 GLU HG2 1.0 0.0 6.07 1069 906 A 85 SER HB2 A 86 GLU HG2 1.0 0.0 6.07 1070 906 A 86 GLU HG3 A 85 SER HB2 1.0 0.0 6.07 1071 906 A 85 SER HB3 A 86 GLU HG3 1.0 0.0 6.07 1072 907 A 85 SER HA A 120 LEU HG 1.0 0.0 5.84 1073 908 A 85 SER HA A 120 LEU HD1% 1.0 0.0 6.30 1074 908 A 85 SER HA A 120 LEU HD2% 1.0 0.0 6.30 1075 909 A 85 SER HA A 64 ALA HA 1.0 0.0 4.18 1076 910 A 122 VAL HG1% A 85 SER HB2 1.0 0.0 4.74 1077 910 A 85 SER HB3 A 122 VAL HG1% 1.0 0.0 4.74 1078 911 A 84 PHE HD% A 84 PHE HA 1.0 0.0 4.51 1079 912 A 84 PHE HA A 83 ASP H 1.0 0.0 5.87 1080 913 A 67 THR H A 83 ASP HA 1.0 0.0 5.80 1081 914 A 67 THR HG2% A 82 LYS HBy 1.0 0.0 4.96 1082 915 A 72 GLU H A 72 GLU HGy 1.0 0.0 5.66 1083 916 A 72 GLU H A 72 GLU HGx 1.0 0.0 5.66 1084 917 A 70 ILE HB A 72 GLU HA 1.0 0.0 6.18 1085 918 A 69 ASP H A 70 ILE HG2% 1.0 0.0 5.26 1086 919 A 70 ILE HG2% A 69 ASP HA 1.0 0.0 5.05 1087 920 A 79 VAL HB A 78 SER HA 1.0 0.0 5.51 1088 921 A 79 VAL HB A 110 PHE HE% 1.0 0.0 4.59 1089 922 A 79 VAL HB A 110 PHE HZ 1.0 0.0 5.21 1090 923 A 79 VAL HG2% A 78 SER HA 1.0 0.0 5.28 1091 924 A 79 VAL HG2% A 79 VAL HA 1.0 0.0 4.24 1092 925 A 79 VAL HG1% A 79 VAL HA 1.0 0.0 4.21 1093 926 A 77 LEU HA A 78 SER HBy 1.0 0.0 6.30 1094 927 A 109 THR HA A 78 SER HBy 1.0 0.0 6.30 1095 928 A 77 LEU HD1% A 78 SER HBy 1.0 0.0 4.23 1096 928 A 77 LEU HD2% A 78 SER HBy 1.0 0.0 4.23 1097 929 A 77 LEU HA A 78 SER HBx 1.0 0.0 6.30 1098 930 A 109 THR HA A 78 SER HBx 1.0 0.0 6.30 1099 931 A 77 LEU HD2% A 78 SER HBx 1.0 0.0 4.23 1100 931 A 78 SER HBx A 77 LEU HD1% 1.0 0.0 4.23 1101 932 A 77 LEU H A 77 LEU HG 1.0 0.0 4.75 1102 933 A 78 SER H A 77 LEU HG 1.0 0.0 4.81 1103 934 A 77 LEU HA A 77 LEU HD1% 1.0 0.0 3.73 1104 934 A 77 LEU HA A 77 LEU HD2% 1.0 0.0 3.73 1105 935 A 77 LEU H A 77 LEU HD1% 1.0 0.0 4.25 1106 935 A 77 LEU HD2% A 77 LEU H 1.0 0.0 4.25 1107 936 A 77 LEU HB2 A 77 LEU HD1% 1.0 0.0 4.12 1108 936 A 77 LEU HB3 A 77 LEU HD1% 1.0 0.0 4.12 1109 936 A 77 LEU HD2% A 77 LEU HB2 1.0 0.0 4.12 1110 936 A 77 LEU HB3 A 77 LEU HD2% 1.0 0.0 4.12 1111 937 A 67 THR H A 68 SER HA 1.0 0.0 5.10 1112 938 A 68 SER HA A 69 ASP HA 1.0 0.0 5.34 1113 939 A 68 SER HA A 79 VAL HG1% 1.0 0.0 4.71 1114 940 A 66 PHE H A 67 THR HA 1.0 0.0 6.30 1115 941 A 66 PHE HD% A 67 THR HA 1.0 0.0 6.30 1116 942 A 66 PHE HB2 A 67 THR HA 1.0 0.0 4.98 1117 943 A 67 THR HG2% A 67 THR HA 1.0 0.0 4.28 1118 944 A 66 PHE HA A 67 THR HB 1.0 0.0 6.30 1119 945 A 64 ALA HB% A 122 VAL H 1.0 0.0 4.99 1120 946 A 63 THR HB A 64 ALA HB% 1.0 0.0 6.27 1121 947 A 64 ALA H A 63 THR HB 1.0 0.0 5.26 1122 948 A 63 THR HB A 87 ASN H 1.0 0.0 6.30 1123 949 A 63 THR HB A 87 ASN HD22 1.0 0.0 5.83 1124 950 A 85 SER HA A 63 THR HB 1.0 0.0 5.86 1125 951 A 63 THR HB A 62 PRO HB3 1.0 0.0 6.30 1126 952 A 86 GLU H A 63 THR HG2% 1.0 0.0 4.80 1127 953 A 62 PRO HB2 A 63 THR HG2% 1.0 0.0 4.79 1128 954 A 63 THR HG2% A 65 ARG HB2 1.0 0.0 3.34 1129 954 A 63 THR HG2% A 65 ARG HB3 1.0 0.0 3.34 1130 955 A 60 VAL HA A 61 LEU HB2 1.0 0.0 5.58 1131 955 A 60 VAL HA A 61 LEU HB3 1.0 0.0 5.58 1132 956 A 61 LEU HD1% A 126 ASN HD2x 1.0 0.0 5.68 1133 957 A 61 LEU HD1% A 61 LEU HA 1.0 0.0 4.61 1134 958 A 60 VAL HA A 61 LEU HD1% 1.0 0.0 4.81 1135 959 A 61 LEU HD1% A 126 ASN HB2 1.0 0.0 5.64 1136 959 A 126 ASN HB3 A 61 LEU HD1% 1.0 0.0 5.64 1137 960 A 60 VAL HB A 61 LEU HD1% 1.0 0.0 5.24 1138 961 A 61 LEU HD1% A 62 PRO HG2 1.0 0.0 6.30 1139 961 A 61 LEU HD1% A 62 PRO HG3 1.0 0.0 6.30 1140 962 A 60 VAL HA A 61 LEU HD2% 1.0 0.0 5.20 1141 963 A 61 LEU HD2% A 62 PRO HG2 1.0 0.0 4.88 1142 963 A 61 LEU HD2% A 62 PRO HG3 1.0 0.0 4.88 1143 964 A 60 VAL HB A 61 LEU HD2% 1.0 0.0 5.64 1144 965 A 61 LEU HD2% A 62 PRO HB2 1.0 0.0 6.30 1145 966 A 60 VAL HA A 61 LEU HG 1.0 0.0 5.87 1146 967 A 60 VAL HG1% A 61 LEU H 1.0 0.0 5.93 1147 968 A 41 PRO HA A 39 VAL HG1% 1.0 0.0 5.67 1148 968 A 39 VAL HG2% A 41 PRO HA 1.0 0.0 5.67 1149 969 A 61 LEU HA A 59 PRO HG2 1.0 0.0 6.30 1150 969 A 61 LEU HA A 59 PRO HG3 1.0 0.0 6.30 1151 970 A 9 ASN H A 8 PHE HB2 1.0 0.0 6.30 1152 970 A 8 PHE HB3 A 9 ASN H 1.0 0.0 6.30 1153 971 A 14 SER H A 13 ASP HB2 1.0 0.0 6.28 1154 971 A 13 ASP HB3 A 14 SER H 1.0 0.0 6.28 1155 972 A 74 PHE HA A 138 LEU HBy 1.0 0.0 5.52 1156 973 A 74 PHE HA A 138 LEU HD2% 1.0 0.0 5.52 1157 974 A 74 PHE HA A 138 LEU HD1% 1.0 0.0 5.54 1158 975 A 138 LEU HD1% A 136 ARG HB2 1.0 0.0 6.30 1159 975 A 136 ARG HB3 A 138 LEU HD1% 1.0 0.0 6.30 1160 976 A 137 ALA HA A 138 LEU HG 1.0 0.0 5.05 1161 977 A 137 ALA HA A 136 ARG H 1.0 0.0 6.11 1162 978 A 137 ALA H A 136 ARG HGy 1.0 0.0 5.47 1163 979 A 137 ALA H A 136 ARG HGx 1.0 0.0 5.47 1164 980 A 10 THR H A 9 ASN HB2 1.0 0.0 5.81 1165 980 A 10 THR H A 9 ASN HB3 1.0 0.0 5.81 1166 981 A 61 LEU HD1% A 126 ASN HA 1.0 0.0 6.30 1167 982 A 61 LEU HD1% A 127 ASP HA 1.0 0.0 6.30 1168 983 A 61 LEU HD2% A 62 PRO HA 1.0 0.0 5.12 1169 984 A 70 ILE HD1% A 70 ILE HA 1.0 0.0 6.30 1170 985 A 11 TRP HA A 11 TRP HD1 1.0 0.0 4.90 1171 986 A 19 TRP HD1 A 18 TYR HD% 1.0 0.0 5.26 1172 987 A 18 TYR HD% A 17 ASN HA 1.0 0.0 4.24 1173 988 A 18 TYR HA A 18 TYR HD% 1.0 0.0 4.12 1174 989 A 22 TYR HD% A 22 TYR HA 1.0 0.0 4.38 1175 990 A 66 PHE H A 66 PHE HD% 1.0 0.0 4.25 1176 991 A 66 PHE HD% A 93 TRP HH2 1.0 0.0 5.11 1177 992 A 66 PHE HD% A 131 ALA HB% 1.0 0.0 3.95 1178 993 A 66 PHE HD% A 120 LEU HBy 1.0 0.0 4.94 1179 994 A 66 PHE HD% A 133 VAL HG1% 1.0 0.0 4.82 1180 994 A 133 VAL HG2% A 66 PHE HD% 1.0 0.0 4.82 1181 995 A 120 LEU HG A 66 PHE HD% 1.0 0.0 4.68 1182 996 A 66 PHE HA A 84 PHE HD% 1.0 0.0 4.54 1183 997 A 67 THR HG2% A 84 PHE HD% 1.0 0.0 4.57 1184 998 A 83 ASP H A 93 TRP HZ2 1.0 0.0 4.41 1185 999 A 93 TRP HZ2 A 83 ASP HBy 1.0 0.0 5.51 1186 1000 A 93 TRP HZ2 A 83 ASP HBx 1.0 0.0 5.51 1187 1001 A 83 ASP HA A 93 TRP HH2 1.0 0.0 4.69 1188 1002 A 66 PHE HB3 A 93 TRP HH2 1.0 0.0 5.09 1189 1003 A 118 VAL HG2% A 110 PHE HE% 1.0 0.0 5.11 1190 1004 A 79 VAL HG2% A 110 PHE HE% 1.0 0.0 4.42 1191 1005 A 79 VAL HG1% A 110 PHE HE% 1.0 0.0 4.71 1192 1006 A 118 VAL HG2% A 110 PHE HZ 1.0 0.0 4.39 1193 1007 A 109 THR HB A 111 PHE HE% 1.0 0.0 5.21 1194 1008 A 116 TYR HA A 116 TYR HE% 1.0 0.0 5.09 1195 1009 A 137 ALA HB% A 116 TYR HE% 1.0 0.0 3.75 1196 1010 A 11 TRP HA A 11 TRP HZ3 1.0 0.0 4.57 1197 1011 A 18 TYR H A 18 TYR HD% 1.0 0.0 5.69 1198 1012 A 19 TRP HA A 19 TRP HD1 1.0 0.0 5.37 1199 1013 A 38 ALA H A 37 TYR HD% 1.0 0.0 6.30 1200 1014 A 66 PHE HD% A 66 PHE HA 1.0 0.0 4.98 1201 1015 A 66 PHE HD% A 120 LEU HBx 1.0 0.0 4.94 1202 1016 A 74 PHE HD% A 73 GLY HAx 1.0 0.0 4.86 1203 1017 A 74 PHE HD% A 73 GLY HAy 1.0 0.0 4.86 1204 1018 A 74 PHE HD% A 75 ALA H 1.0 0.0 4.40 1205 1019 A 93 TRP H A 93 TRP HD1 1.0 0.0 4.62 1206 1020 A 83 ASP HA A 93 TRP HZ2 1.0 0.0 4.92 1207 1021 A 110 PHE HA A 110 PHE HE% 1.0 0.0 6.30 1208 1022 A 110 PHE HE% A 79 VAL HA 1.0 0.0 6.22 1209 1023 A 79 VAL HG1% A 110 PHE HZ 1.0 0.0 5.21 1210 1024 A 135 ILE HB A 110 PHE HZ 1.0 0.0 6.30 1211 1025 A 135 ILE HG13 A 110 PHE HZ 1.0 0.0 6.28 1212 1026 A 111 PHE H A 111 PHE HD% 1.0 0.0 4.81 1213 1027 A 111 PHE HD% A 111 PHE HA 1.0 0.0 5.44 1214 1028 A 116 TYR HD% A 115 GLU HA 1.0 0.0 5.17 1215 1029 A 116 TYR HD% A 116 TYR HA 1.0 0.0 4.73 1216 1030 A 115 GLU HA A 116 TYR HE% 1.0 0.0 5.65 1217 1031 A 116 TYR HE% A 113 GLU HG2 1.0 0.0 6.30 1218 1031 A 113 GLU HG3 A 116 TYR HE% 1.0 0.0 6.30 1219 1032 A 113 GLU H A 116 TYR HE% 1.0 0.0 6.30 1220 1033 A 116 TYR H A 116 TYR HE% 1.0 0.0 6.30 1221 1034 A 114 GLY H A 116 TYR HE% 1.0 0.0 5.70 1222 1035 A 109 THR HG2% A 111 PHE HD% 1.0 0.0 5.15 1223 1036 A 109 THR HG2% A 111 PHE HE% 1.0 0.0 4.89 1224 1037 A 116 TYR HD% A 110 PHE HE% 1.0 0.0 4.89 1225 1038 A 91 ARG HB2 A 93 TRP HD1 1.0 0.0 5.95 1226 1039 A 93 TRP HZ2 A 82 LYS HA 1.0 0.0 5.46 1227 1040 A 120 LEU HG A 93 TRP HH2 1.0 0.0 5.86 1228 1041 A 74 PHE HD% A 74 PHE HA 1.0 0.0 5.30 1229 1042 A 66 PHE HD% A 132 SER HA 1.0 0.0 5.54 1230 1043 A 84 PHE HD% A 65 ARG HB2 1.0 0.0 5.04 1231 1043 A 65 ARG HB3 A 84 PHE HD% 1.0 0.0 5.04 1232 1044 A 110 PHE HD% A 109 THR HA 1.0 0.0 4.97 1233 1045 A 11 TRP H A 11 TRP HBy 1.0 0.0 3.77 1234 1045 A 11 TRP H A 11 TRP HBx 1.0 0.0 3.77 1235 1046 A 18 TYR H A 17 ASN HBy 1.0 0.0 4.68 1236 1046 A 18 TYR H A 17 ASN HBx 1.0 0.0 4.68 1237 1047 A 18 TYR HD% A 17 ASN HBy 1.0 0.0 5.20 1238 1047 A 18 TYR HD% A 17 ASN HBx 1.0 0.0 5.20 1239 1048 A 19 TRP H A 19 TRP HBx 1.0 0.0 3.64 1240 1048 A 19 TRP H A 19 TRP HBy 1.0 0.0 3.64 1241 1049 A 19 TRP HZ3 A 19 TRP HBx 1.0 0.0 5.05 1242 1049 A 19 TRP HBy A 19 TRP HZ3 1.0 0.0 5.05 1243 1050 A 21 ASP H A 20 SER HBy 1.0 0.0 4.39 1244 1050 A 21 ASP H A 20 SER HBx 1.0 0.0 4.39 1245 1051 A 21 ASP HA A 20 SER HBy 1.0 0.0 4.57 1246 1051 A 21 ASP HA A 20 SER HBx 1.0 0.0 4.57 1247 1052 A 21 ASP H A 21 ASP HBx 1.0 0.0 3.68 1248 1052 A 21 ASP H A 21 ASP HBy 1.0 0.0 3.68 1249 1053 A 22 TYR H A 22 TYR HBy 1.0 0.0 3.07 1250 1053 A 22 TYR H A 22 TYR HBx 1.0 0.0 3.07 1251 1054 A 23 GLU H A 23 GLU HBy 1.0 0.0 3.54 1252 1054 A 23 GLU H A 23 GLU HBx 1.0 0.0 3.54 1253 1055 A 24 GLY H A 23 GLU HBy 1.0 0.0 4.66 1254 1055 A 24 GLY H A 23 GLU HBx 1.0 0.0 4.66 1255 1056 A 27 GLU H A 27 GLU HBy 1.0 0.0 3.83 1256 1056 A 27 GLU H A 27 GLU HBx 1.0 0.0 3.83 1257 1057 A 32 ILE H A 32 ILE HG1y 1.0 0.0 4.04 1258 1057 A 32 ILE H A 32 ILE HG1x 1.0 0.0 4.04 1259 1058 A 34 ASP H A 34 ASP HBy 1.0 0.0 3.82 1260 1058 A 34 ASP H A 34 ASP HBx 1.0 0.0 3.82 1261 1059 A 36 ALA HA A 35 SER HBy 1.0 0.0 4.35 1262 1059 A 36 ALA HA A 35 SER HBx 1.0 0.0 4.35 1263 1060 A 37 TYR H A 37 TYR HBy 1.0 0.0 3.55 1264 1060 A 37 TYR H A 37 TYR HBx 1.0 0.0 3.55 1265 1061 A 38 ALA H A 37 TYR HBy 1.0 0.0 4.49 1266 1061 A 38 ALA H A 37 TYR HBx 1.0 0.0 4.49 1267 1062 A 40 ASN H A 40 ASN HD2x 1.0 0.0 5.18 1268 1062 A 40 ASN H A 40 ASN HD2y 1.0 0.0 5.18 1269 1063 A 40 ASN HA A 40 ASN HD2x 1.0 0.0 4.18 1270 1063 A 40 ASN HA A 40 ASN HD2y 1.0 0.0 4.18 1271 1064 A 40 ASN HBy A 40 ASN HD2x 1.0 0.0 3.38 1272 1064 A 40 ASN HBx A 40 ASN HD2x 1.0 0.0 3.38 1273 1064 A 40 ASN HD2y A 40 ASN HBy 1.0 0.0 3.38 1274 1064 A 40 ASN HD2y A 40 ASN HBx 1.0 0.0 3.38 1275 1065 A 42 GLU H A 40 ASN HBy 1.0 0.0 5.09 1276 1065 A 42 GLU H A 40 ASN HBx 1.0 0.0 5.09 1277 1066 A 43 ALA H A 42 GLU HBy 1.0 0.0 4.51 1278 1066 A 43 ALA H A 42 GLU HBx 1.0 0.0 4.51 1279 1067 A 43 ALA HB% A 42 GLU HBy 1.0 0.0 3.94 1280 1067 A 43 ALA HB% A 42 GLU HBx 1.0 0.0 3.94 1281 1068 A 53 GLU H A 53 GLU HBy 1.0 0.0 3.69 1282 1068 A 53 GLU H A 53 GLU HBx 1.0 0.0 3.69 1283 1069 A 54 TYR H A 53 GLU HBy 1.0 0.0 3.07 1284 1069 A 54 TYR H A 53 GLU HBx 1.0 0.0 3.07 1285 1070 A 55 LEU H A 55 LEU HBy 1.0 0.0 3.70 1286 1070 A 55 LEU H A 55 LEU HBx 1.0 0.0 3.70 1287 1071 A 59 PRO HA A 126 ASN HD2y 1.0 0.0 4.84 1288 1071 A 59 PRO HA A 126 ASN HD2x 1.0 0.0 4.84 1289 1072 A 60 VAL H A 59 PRO HBy 1.0 0.0 3.86 1290 1072 A 60 VAL H A 59 PRO HBx 1.0 0.0 3.86 1291 1073 A 60 VAL HG1% A 59 PRO HBy 1.0 0.0 4.07 1292 1073 A 60 VAL HG1% A 59 PRO HBx 1.0 0.0 4.07 1293 1074 A 126 ASN HD2y A 59 PRO HBy 1.0 0.0 5.24 1294 1074 A 126 ASN HD2x A 59 PRO HBy 1.0 0.0 5.24 1295 1074 A 126 ASN HD2x A 59 PRO HBx 1.0 0.0 5.24 1296 1074 A 126 ASN HD2y A 59 PRO HBx 1.0 0.0 5.24 1297 1075 A 126 ASN HD2y A 59 PRO HG3 1.0 0.0 5.07 1298 1075 A 126 ASN HD2y A 59 PRO HG2 1.0 0.0 5.07 1299 1075 A 126 ASN HD2x A 59 PRO HG2 1.0 0.0 5.07 1300 1075 A 126 ASN HD2x A 59 PRO HG3 1.0 0.0 5.07 1301 1076 A 126 ASN HD2x A 59 PRO HDx 1.0 0.0 5.89 1302 1076 A 126 ASN HD2x A 59 PRO HDy 1.0 0.0 5.89 1303 1076 A 126 ASN HD2y A 59 PRO HDy 1.0 0.0 5.89 1304 1076 A 126 ASN HD2y A 59 PRO HDx 1.0 0.0 5.89 1305 1077 A 60 VAL HB A 126 ASN HD2y 1.0 0.0 5.87 1306 1077 A 60 VAL HB A 126 ASN HD2x 1.0 0.0 5.87 1307 1078 A 60 VAL HG1% A 126 ASN HD2y 1.0 0.0 4.74 1308 1078 A 60 VAL HG1% A 126 ASN HD2x 1.0 0.0 4.74 1309 1079 A 61 LEU H A 126 ASN HD2y 1.0 0.0 4.66 1310 1079 A 61 LEU H A 126 ASN HD2x 1.0 0.0 4.66 1311 1080 A 126 ASN HD2y A 61 LEU HA 1.0 0.0 4.56 1312 1080 A 61 LEU HA A 126 ASN HD2x 1.0 0.0 4.56 1313 1081 A 126 ASN HD2y A 61 LEU HD1% 1.0 0.0 4.97 1314 1081 A 61 LEU HD1% A 126 ASN HD2x 1.0 0.0 4.97 1315 1082 A 61 LEU HD1% A 127 ASP HBx 1.0 0.0 4.83 1316 1082 A 61 LEU HD1% A 127 ASP HBy 1.0 0.0 4.83 1317 1083 A 61 LEU HD2% A 126 ASN HD2y 1.0 0.0 5.20 1318 1083 A 61 LEU HD2% A 126 ASN HD2x 1.0 0.0 5.20 1319 1084 A 61 LEU HD2% A 127 ASP HBx 1.0 0.0 4.37 1320 1084 A 61 LEU HD2% A 127 ASP HBy 1.0 0.0 4.37 1321 1085 A 63 THR H A 86 GLU HBy 1.0 0.0 4.68 1322 1085 A 63 THR H A 86 GLU HBx 1.0 0.0 4.68 1323 1086 A 63 THR HB A 86 GLU HBy 1.0 0.0 4.18 1324 1086 A 63 THR HB A 86 GLU HBx 1.0 0.0 4.18 1325 1087 A 63 THR HG2% A 86 GLU HBy 1.0 0.0 4.04 1326 1087 A 63 THR HG2% A 86 GLU HBx 1.0 0.0 4.04 1327 1088 A 64 ALA H A 129 ASP HBx 1.0 0.0 4.23 1328 1088 A 64 ALA H A 129 ASP HBy 1.0 0.0 4.23 1329 1089 A 64 ALA HB% A 129 ASP HBx 1.0 0.0 3.82 1330 1089 A 64 ALA HB% A 129 ASP HBy 1.0 0.0 3.82 1331 1090 A 65 ARG H A 65 ARG HGx 1.0 0.0 4.86 1332 1090 A 65 ARG H A 65 ARG HGy 1.0 0.0 4.86 1333 1091 A 65 ARG HB2 A 84 PHE HBy 1.0 0.0 4.82 1334 1091 A 65 ARG HB3 A 84 PHE HBy 1.0 0.0 4.82 1335 1091 A 84 PHE HBx A 65 ARG HB2 1.0 0.0 4.82 1336 1091 A 65 ARG HB3 A 84 PHE HBx 1.0 0.0 4.82 1337 1092 A 65 ARG HB2 A 86 GLU HBy 1.0 0.0 5.11 1338 1092 A 65 ARG HB3 A 86 GLU HBy 1.0 0.0 5.11 1339 1092 A 86 GLU HBx A 65 ARG HB2 1.0 0.0 5.11 1340 1092 A 65 ARG HB3 A 86 GLU HBx 1.0 0.0 5.11 1341 1093 A 66 PHE H A 65 ARG HGx 1.0 0.0 4.65 1342 1093 A 66 PHE H A 65 ARG HGy 1.0 0.0 4.65 1343 1094 A 66 PHE HD% A 120 LEU HBy 1.0 0.0 4.16 1344 1094 A 66 PHE HD% A 120 LEU HBx 1.0 0.0 4.16 1345 1095 A 67 THR HA A 68 SER HBy 1.0 0.0 4.76 1346 1095 A 67 THR HA A 68 SER HBx 1.0 0.0 4.76 1347 1096 A 67 THR HG2% A 82 LYS HBx 1.0 0.0 4.09 1348 1096 A 67 THR HG2% A 82 LYS HBy 1.0 0.0 4.09 1349 1097 A 67 THR HG2% A 84 PHE HBy 1.0 0.0 6.10 1350 1097 A 67 THR HG2% A 84 PHE HBx 1.0 0.0 6.10 1351 1098 A 68 SER HA A 69 ASP HBy 1.0 0.0 5.05 1352 1098 A 68 SER HA A 69 ASP HBx 1.0 0.0 5.05 1353 1099 A 69 ASP H A 68 SER HBy 1.0 0.0 4.25 1354 1099 A 69 ASP H A 68 SER HBx 1.0 0.0 4.25 1355 1100 A 70 ILE H A 68 SER HBy 1.0 0.0 4.25 1356 1100 A 70 ILE H A 68 SER HBx 1.0 0.0 4.25 1357 1101 A 79 VAL HG1% A 68 SER HBy 1.0 0.0 4.74 1358 1101 A 79 VAL HG1% A 68 SER HBx 1.0 0.0 4.74 1359 1102 A 70 ILE HA A 69 ASP HBy 1.0 0.0 5.39 1360 1102 A 70 ILE HA A 69 ASP HBx 1.0 0.0 5.39 1361 1103 A 70 ILE HG2% A 69 ASP HBy 1.0 0.0 4.75 1362 1103 A 70 ILE HG2% A 69 ASP HBx 1.0 0.0 4.75 1363 1104 A 70 ILE H A 70 ILE HG1y 1.0 0.0 3.22 1364 1104 A 70 ILE H A 70 ILE HG1x 1.0 0.0 3.22 1365 1105 A 70 ILE HG2% A 70 ILE HG1y 1.0 0.0 3.21 1366 1105 A 70 ILE HG2% A 70 ILE HG1x 1.0 0.0 3.21 1367 1106 A 71 THR H A 70 ILE HG1y 1.0 0.0 4.73 1368 1106 A 71 THR H A 70 ILE HG1x 1.0 0.0 4.73 1369 1107 A 72 GLU H A 70 ILE HG1y 1.0 0.0 4.78 1370 1107 A 72 GLU H A 70 ILE HG1x 1.0 0.0 4.78 1371 1108 A 135 ILE HG2% A 70 ILE HG1y 1.0 0.0 5.07 1372 1108 A 135 ILE HG2% A 70 ILE HG1x 1.0 0.0 5.07 1373 1109 A 71 THR H A 72 GLU HBy 1.0 0.0 5.09 1374 1109 A 71 THR H A 72 GLU HBx 1.0 0.0 5.09 1375 1110 A 72 GLU H A 72 GLU HBy 1.0 0.0 3.82 1376 1110 A 72 GLU H A 72 GLU HBx 1.0 0.0 3.82 1377 1111 A 72 GLU H A 72 GLU HGy 1.0 0.0 4.85 1378 1111 A 72 GLU H A 72 GLU HGx 1.0 0.0 4.85 1379 1112 A 72 GLU HA A 73 GLY HAx 1.0 0.0 6.10 1380 1112 A 72 GLU HA A 73 GLY HAy 1.0 0.0 6.10 1381 1113 A 73 GLY H A 72 GLU HGy 1.0 0.0 3.43 1382 1113 A 73 GLY H A 72 GLU HGx 1.0 0.0 3.43 1383 1114 A 138 LEU HG A 72 GLU HGy 1.0 0.0 3.62 1384 1114 A 138 LEU HG A 72 GLU HGx 1.0 0.0 3.62 1385 1115 A 138 LEU HD1% A 72 GLU HGy 1.0 0.0 3.74 1386 1115 A 138 LEU HD1% A 72 GLU HGx 1.0 0.0 3.74 1387 1116 A 138 LEU HD2% A 72 GLU HGy 1.0 0.0 4.22 1388 1116 A 138 LEU HD2% A 72 GLU HGx 1.0 0.0 4.22 1389 1117 A 74 PHE HD% A 73 GLY HAx 1.0 0.0 4.17 1390 1117 A 74 PHE HD% A 73 GLY HAy 1.0 0.0 4.17 1391 1118 A 138 LEU HG A 73 GLY HAx 1.0 0.0 5.30 1392 1118 A 138 LEU HG A 73 GLY HAy 1.0 0.0 5.30 1393 1119 A 138 LEU HD1% A 73 GLY HAx 1.0 0.0 4.94 1394 1119 A 138 LEU HD1% A 73 GLY HAy 1.0 0.0 4.94 1395 1120 A 138 LEU HD2% A 73 GLY HAx 1.0 0.0 5.27 1396 1120 A 138 LEU HD2% A 73 GLY HAy 1.0 0.0 5.27 1397 1121 A 74 PHE H A 74 PHE HBx 1.0 0.0 3.33 1398 1121 A 74 PHE H A 74 PHE HBy 1.0 0.0 3.33 1399 1122 A 74 PHE HA A 138 LEU HBy 1.0 0.0 4.78 1400 1122 A 74 PHE HA A 138 LEU HBx 1.0 0.0 4.78 1401 1123 A 75 ALA H A 74 PHE HBx 1.0 0.0 3.85 1402 1123 A 75 ALA H A 74 PHE HBy 1.0 0.0 3.85 1403 1124 A 75 ALA HB% A 113 GLU HBy 1.0 0.0 4.74 1404 1124 A 75 ALA HB% A 113 GLU HBx 1.0 0.0 4.74 1405 1125 A 77 LEU HA A 78 SER HBy 1.0 0.0 5.52 1406 1125 A 77 LEU HA A 78 SER HBx 1.0 0.0 5.52 1407 1126 A 78 SER H A 78 SER HBy 1.0 0.0 3.69 1408 1126 A 78 SER H A 78 SER HBx 1.0 0.0 3.69 1409 1127 A 79 VAL H A 78 SER HBy 1.0 0.0 4.41 1410 1127 A 79 VAL H A 78 SER HBx 1.0 0.0 4.41 1411 1128 A 84 PHE HD% A 82 LYS HBx 1.0 0.0 4.88 1412 1128 A 84 PHE HD% A 82 LYS HBy 1.0 0.0 4.88 1413 1129 A 93 TRP HZ2 A 83 ASP HBx 1.0 0.0 4.83 1414 1129 A 93 TRP HZ2 A 83 ASP HBy 1.0 0.0 4.83 1415 1130 A 85 SER HA A 84 PHE HBy 1.0 0.0 4.98 1416 1130 A 85 SER HA A 84 PHE HBx 1.0 0.0 4.98 1417 1131 A 85 SER HA A 86 GLU HBy 1.0 0.0 4.89 1418 1131 A 85 SER HA A 86 GLU HBx 1.0 0.0 4.89 1419 1132 A 86 GLU H A 86 GLU HBy 1.0 0.0 3.81 1420 1132 A 86 GLU H A 86 GLU HBx 1.0 0.0 3.81 1421 1133 A 87 ASN H A 86 GLU HBy 1.0 0.0 4.09 1422 1133 A 87 ASN H A 86 GLU HBx 1.0 0.0 4.09 1423 1134 A 87 ASN HD21 A 86 GLU HBy 1.0 0.0 4.48 1424 1134 A 87 ASN HD21 A 86 GLU HBx 1.0 0.0 4.48 1425 1135 A 88 ALA H A 86 GLU HBy 1.0 0.0 6.10 1426 1135 A 88 ALA H A 86 GLU HBx 1.0 0.0 6.10 1427 1136 A 91 ARG H A 91 ARG HGx 1.0 0.0 3.83 1428 1136 A 91 ARG H A 91 ARG HGy 1.0 0.0 3.83 1429 1137 A 91 ARG HA A 92 LEU HDy% 1.0 0.0 6.22 1430 1137 A 91 ARG HA A 92 LEU HDx% 1.0 0.0 6.22 1431 1138 A 92 LEU H A 91 ARG HGx 1.0 0.0 4.75 1432 1138 A 92 LEU H A 91 ARG HGy 1.0 0.0 4.75 1433 1139 A 93 TRP HD1 A 91 ARG HGx 1.0 0.0 4.96 1434 1139 A 93 TRP HD1 A 91 ARG HGy 1.0 0.0 4.96 1435 1140 A 122 VAL HG1% A 91 ARG HGx 1.0 0.0 5.62 1436 1140 A 122 VAL HG1% A 91 ARG HGy 1.0 0.0 5.62 1437 1141 A 93 TRP HE1 A 91 ARG HDy 1.0 0.0 4.22 1438 1141 A 91 ARG HDx A 93 TRP HE1 1.0 0.0 4.22 1439 1142 A 92 LEU H A 92 LEU HBy 1.0 0.0 3.46 1440 1142 A 92 LEU H A 92 LEU HBx 1.0 0.0 3.46 1441 1143 A 92 LEU H A 92 LEU HDy% 1.0 0.0 5.45 1442 1143 A 92 LEU H A 92 LEU HDx% 1.0 0.0 5.45 1443 1144 A 92 LEU HA A 92 LEU HDy% 1.0 0.0 4.26 1444 1144 A 92 LEU HA A 92 LEU HDx% 1.0 0.0 4.26 1445 1145 A 93 TRP H A 92 LEU HDy% 1.0 0.0 3.98 1446 1145 A 93 TRP H A 92 LEU HDx% 1.0 0.0 3.98 1447 1146 A 92 LEU HDy% A 94 MET HG2 1.0 0.0 3.73 1448 1146 A 94 MET HG3 A 92 LEU HDy% 1.0 0.0 3.73 1449 1146 A 94 MET HG3 A 92 LEU HDx% 1.0 0.0 3.73 1450 1146 A 92 LEU HDx% A 94 MET HG2 1.0 0.0 3.73 1451 1147 A 100 THR HG2% A 92 LEU HDy% 1.0 0.0 3.97 1452 1147 A 100 THR HG2% A 92 LEU HDx% 1.0 0.0 3.97 1453 1148 A 101 SER H A 92 LEU HDy% 1.0 0.0 3.84 1454 1148 A 101 SER H A 92 LEU HDx% 1.0 0.0 3.84 1455 1149 A 94 MET H A 94 MET HBx 1.0 0.0 3.60 1456 1149 A 94 MET H A 94 MET HBy 1.0 0.0 3.60 1457 1150 A 95 PHE H A 94 MET HBx 1.0 0.0 4.40 1458 1150 A 95 PHE H A 94 MET HBy 1.0 0.0 4.40 1459 1151 A 96 GLY H A 94 MET HBx 1.0 0.0 4.50 1460 1151 A 96 GLY H A 94 MET HBy 1.0 0.0 4.50 1461 1152 A 100 THR HG2% A 94 MET HBx 1.0 0.0 4.53 1462 1152 A 100 THR HG2% A 94 MET HBy 1.0 0.0 4.53 1463 1153 A 95 PHE H A 96 GLY HAy 1.0 0.0 4.42 1464 1153 A 95 PHE H A 96 GLY HAx 1.0 0.0 4.42 1465 1154 A 97 ASP HA A 96 GLY HAy 1.0 0.0 5.16 1466 1154 A 96 GLY HAx A 97 ASP HA 1.0 0.0 5.16 1467 1155 A 97 ASP HB3 A 98 GLY HAy 1.0 0.0 4.65 1468 1155 A 97 ASP HB2 A 98 GLY HAy 1.0 0.0 4.65 1469 1155 A 98 GLY HAx A 97 ASP HB2 1.0 0.0 4.65 1470 1155 A 97 ASP HB3 A 98 GLY HAx 1.0 0.0 4.65 1471 1156 A 99 ASN H A 99 ASN HBx 1.0 0.0 3.72 1472 1156 A 99 ASN H A 99 ASN HBy 1.0 0.0 3.72 1473 1157 A 99 ASN H A 99 ASN HD2y 1.0 0.0 4.40 1474 1157 A 99 ASN H A 99 ASN HD2x 1.0 0.0 4.40 1475 1158 A 100 THR H A 99 ASN HBx 1.0 0.0 3.75 1476 1158 A 100 THR H A 99 ASN HBy 1.0 0.0 3.75 1477 1159 A 100 THR HG2% A 99 ASN HBx 1.0 0.0 5.71 1478 1159 A 100 THR HG2% A 99 ASN HBy 1.0 0.0 5.71 1479 1160 A 110 PHE H A 110 PHE HBy 1.0 0.0 3.77 1480 1160 A 110 PHE H A 110 PHE HBx 1.0 0.0 3.77 1481 1161 A 112 ASN H A 110 PHE HBy 1.0 0.0 5.05 1482 1161 A 112 ASN H A 110 PHE HBx 1.0 0.0 5.05 1483 1162 A 116 TYR HE% A 110 PHE HBy 1.0 0.0 4.98 1484 1162 A 116 TYR HE% A 110 PHE HBx 1.0 0.0 4.98 1485 1163 A 110 PHE HE% A 116 TYR HBy 1.0 0.0 4.70 1486 1163 A 110 PHE HE% A 116 TYR HBx 1.0 0.0 4.70 1487 1164 A 111 PHE H A 111 PHE HBx 1.0 0.0 3.51 1488 1164 A 111 PHE H A 111 PHE HBy 1.0 0.0 3.51 1489 1165 A 112 ASN H A 111 PHE HBx 1.0 0.0 4.01 1490 1165 A 112 ASN H A 111 PHE HBy 1.0 0.0 4.01 1491 1166 A 112 ASN H A 112 ASN HD2x 1.0 0.0 5.02 1492 1166 A 112 ASN H A 112 ASN HD2y 1.0 0.0 5.02 1493 1167 A 112 ASN HA A 112 ASN HD2x 1.0 0.0 5.05 1494 1167 A 112 ASN HA A 112 ASN HD2y 1.0 0.0 5.05 1495 1168 A 112 ASN HA A 113 GLU HBy 1.0 0.0 4.74 1496 1168 A 112 ASN HA A 113 GLU HBx 1.0 0.0 4.74 1497 1169 A 112 ASN HBx A 112 ASN HD2x 1.0 0.0 3.36 1498 1169 A 112 ASN HBy A 112 ASN HD2x 1.0 0.0 3.36 1499 1169 A 112 ASN HD2y A 112 ASN HBx 1.0 0.0 3.36 1500 1169 A 112 ASN HD2y A 112 ASN HBy 1.0 0.0 3.36 1501 1170 A 113 GLU H A 112 ASN HBx 1.0 0.0 3.85 1502 1170 A 113 GLU H A 112 ASN HBy 1.0 0.0 3.85 1503 1171 A 113 GLU H A 113 GLU HBy 1.0 0.0 3.39 1504 1171 A 113 GLU H A 113 GLU HBx 1.0 0.0 3.39 1505 1172 A 114 GLY H A 113 GLU HBy 1.0 0.0 3.79 1506 1172 A 114 GLY H A 113 GLU HBx 1.0 0.0 3.79 1507 1173 A 115 GLU H A 114 GLY HAx 1.0 0.0 3.01 1508 1173 A 115 GLU H A 114 GLY HAy 1.0 0.0 3.01 1509 1174 A 114 GLY HAx A 115 GLU HBy 1.0 0.0 5.74 1510 1174 A 115 GLU HBx A 114 GLY HAx 1.0 0.0 5.74 1511 1174 A 114 GLY HAy A 115 GLU HBx 1.0 0.0 5.74 1512 1174 A 114 GLY HAy A 115 GLU HBy 1.0 0.0 5.74 1513 1175 A 137 ALA HB% A 114 GLY HAx 1.0 0.0 4.57 1514 1175 A 137 ALA HB% A 114 GLY HAy 1.0 0.0 4.57 1515 1176 A 115 GLU H A 115 GLU HBy 1.0 0.0 3.44 1516 1176 A 115 GLU H A 115 GLU HBx 1.0 0.0 3.44 1517 1177 A 115 GLU H A 115 GLU HGy 1.0 0.0 4.46 1518 1177 A 115 GLU H A 115 GLU HGx 1.0 0.0 4.46 1519 1178 A 134 THR HG2% A 115 GLU HGy 1.0 0.0 3.62 1520 1178 A 134 THR HG2% A 115 GLU HGx 1.0 0.0 3.62 1521 1179 A 115 GLU HGx A 136 ARG HGx 1.0 0.0 4.59 1522 1179 A 115 GLU HGy A 136 ARG HGx 1.0 0.0 4.59 1523 1179 A 136 ARG HGy A 115 GLU HGy 1.0 0.0 4.59 1524 1179 A 115 GLU HGx A 136 ARG HGy 1.0 0.0 4.59 1525 1180 A 116 TYR H A 116 TYR HBy 1.0 0.0 3.81 1526 1180 A 116 TYR H A 116 TYR HBx 1.0 0.0 3.81 1527 1181 A 117 ILE H A 116 TYR HBy 1.0 0.0 4.16 1528 1181 A 117 ILE H A 116 TYR HBx 1.0 0.0 4.16 1529 1182 A 118 VAL HG2% A 116 TYR HBy 1.0 0.0 4.79 1530 1182 A 118 VAL HG2% A 116 TYR HBx 1.0 0.0 4.79 1531 1183 A 135 ILE HB A 116 TYR HBy 1.0 0.0 4.94 1532 1183 A 135 ILE HB A 116 TYR HBx 1.0 0.0 4.94 1533 1184 A 135 ILE HG2% A 116 TYR HBy 1.0 0.0 5.21 1534 1184 A 135 ILE HG2% A 116 TYR HBx 1.0 0.0 5.21 1535 1185 A 135 ILE HG12 A 116 TYR HBy 1.0 0.0 6.10 1536 1185 A 135 ILE HG12 A 116 TYR HBx 1.0 0.0 6.10 1537 1186 A 117 ILE H A 117 ILE HG1y 1.0 0.0 4.18 1538 1186 A 117 ILE H A 117 ILE HG1x 1.0 0.0 4.18 1539 1187 A 117 ILE HG2% A 119 SER HBy 1.0 0.0 5.21 1540 1187 A 117 ILE HG2% A 119 SER HBx 1.0 0.0 5.21 1541 1188 A 117 ILE HG2% A 132 SER HBy 1.0 0.0 3.69 1542 1188 A 117 ILE HG2% A 132 SER HBx 1.0 0.0 3.69 1543 1189 A 118 VAL H A 117 ILE HG1y 1.0 0.0 6.02 1544 1189 A 118 VAL H A 117 ILE HG1x 1.0 0.0 6.02 1545 1190 A 135 ILE H A 117 ILE HG1y 1.0 0.0 5.18 1546 1190 A 135 ILE H A 117 ILE HG1x 1.0 0.0 5.18 1547 1191 A 135 ILE HG12 A 117 ILE HG1y 1.0 0.0 5.20 1548 1191 A 135 ILE HG12 A 117 ILE HG1x 1.0 0.0 5.20 1549 1192 A 118 VAL HG1% A 120 LEU HBy 1.0 0.0 5.38 1550 1192 A 118 VAL HG1% A 120 LEU HBx 1.0 0.0 5.38 1551 1193 A 119 SER HA A 132 SER HBy 1.0 0.0 5.19 1552 1193 A 119 SER HA A 132 SER HBx 1.0 0.0 5.19 1553 1194 A 120 LEU H A 119 SER HBy 1.0 0.0 4.23 1554 1194 A 120 LEU H A 119 SER HBx 1.0 0.0 4.23 1555 1195 A 120 LEU H A 120 LEU HBy 1.0 0.0 3.80 1556 1195 A 120 LEU H A 120 LEU HBx 1.0 0.0 3.80 1557 1196 A 120 LEU H A 132 SER HBy 1.0 0.0 5.53 1558 1196 A 120 LEU H A 132 SER HBx 1.0 0.0 5.53 1559 1197 A 131 ALA HB% A 120 LEU HBy 1.0 0.0 5.19 1560 1197 A 131 ALA HB% A 120 LEU HBx 1.0 0.0 5.19 1561 1198 A 121 ILE H A 121 ILE HG1y 1.0 0.0 4.66 1562 1198 A 121 ILE H A 121 ILE HG1x 1.0 0.0 4.66 1563 1199 A 121 ILE HG2% A 121 ILE HG1y 1.0 0.0 3.21 1564 1199 A 121 ILE HG2% A 121 ILE HG1x 1.0 0.0 3.21 1565 1200 A 122 VAL H A 121 ILE HG1y 1.0 0.0 4.63 1566 1200 A 122 VAL H A 121 ILE HG1x 1.0 0.0 4.63 1567 1201 A 121 ILE HG1x A 130 SER HB2 1.0 0.0 3.87 1568 1201 A 121 ILE HG1y A 130 SER HB2 1.0 0.0 3.87 1569 1201 A 130 SER HB3 A 121 ILE HG1y 1.0 0.0 3.87 1570 1201 A 130 SER HB3 A 121 ILE HG1x 1.0 0.0 3.87 1571 1202 A 131 ALA H A 121 ILE HG1y 1.0 0.0 5.84 1572 1202 A 131 ALA H A 121 ILE HG1x 1.0 0.0 5.84 1573 1203 A 121 ILE HD1% A 128 SER HB2 1.0 0.0 4.17 1574 1203 A 121 ILE HD1% A 128 SER HB3 1.0 0.0 4.17 1575 1204 A 123 SER H A 128 SER HB2 1.0 0.0 5.48 1576 1204 A 123 SER H A 128 SER HB3 1.0 0.0 5.48 1577 1205 A 123 SER HA A 128 SER HB2 1.0 0.0 5.13 1578 1205 A 123 SER HA A 128 SER HB3 1.0 0.0 5.13 1579 1206 A 123 SER HB3 A 128 SER HB2 1.0 0.0 3.92 1580 1206 A 123 SER HB3 A 128 SER HB3 1.0 0.0 3.92 1581 1207 A 124 ASN H A 128 SER HB2 1.0 0.0 5.08 1582 1207 A 124 ASN H A 128 SER HB3 1.0 0.0 5.08 1583 1208 A 124 ASN HB2 A 127 ASP HBx 1.0 0.0 5.66 1584 1208 A 124 ASN HB3 A 127 ASP HBx 1.0 0.0 5.66 1585 1208 A 127 ASP HBy A 124 ASN HB2 1.0 0.0 5.66 1586 1208 A 124 ASN HB3 A 127 ASP HBy 1.0 0.0 5.66 1587 1209 A 125 GLU H A 125 GLU HGy 1.0 0.0 4.76 1588 1209 A 125 GLU H A 125 GLU HGx 1.0 0.0 4.76 1589 1210 A 125 GLU HA A 125 GLU HGy 1.0 0.0 3.92 1590 1210 A 125 GLU HA A 125 GLU HGx 1.0 0.0 3.92 1591 1211 A 126 ASN H A 125 GLU HGy 1.0 0.0 4.05 1592 1211 A 126 ASN H A 125 GLU HGx 1.0 0.0 4.05 1593 1212 A 126 ASN H A 126 ASN HD2y 1.0 0.0 5.01 1594 1212 A 126 ASN H A 126 ASN HD2x 1.0 0.0 5.01 1595 1213 A 126 ASN HD2x A 126 ASN HB2 1.0 0.0 3.35 1596 1213 A 126 ASN HB3 A 126 ASN HD2x 1.0 0.0 3.35 1597 1213 A 126 ASN HD2y A 126 ASN HB2 1.0 0.0 3.35 1598 1213 A 126 ASN HB3 A 126 ASN HD2y 1.0 0.0 3.35 1599 1214 A 127 ASP H A 126 ASN HD2y 1.0 0.0 6.10 1600 1214 A 127 ASP H A 126 ASN HD2x 1.0 0.0 6.10 1601 1215 A 127 ASP H A 127 ASP HBx 1.0 0.0 3.77 1602 1215 A 127 ASP H A 127 ASP HBy 1.0 0.0 3.77 1603 1216 A 128 SER H A 127 ASP HBx 1.0 0.0 3.62 1604 1216 A 128 SER H A 127 ASP HBy 1.0 0.0 3.62 1605 1217 A 128 SER H A 128 SER HB2 1.0 0.0 3.80 1606 1217 A 128 SER H A 128 SER HB3 1.0 0.0 3.80 1607 1218 A 129 ASP H A 128 SER HB2 1.0 0.0 3.74 1608 1218 A 129 ASP H A 128 SER HB3 1.0 0.0 3.74 1609 1219 A 131 ALA HA A 132 SER HBy 1.0 0.0 4.50 1610 1219 A 131 ALA HA A 132 SER HBx 1.0 0.0 4.50 1611 1220 A 131 ALA HB% A 132 SER HBy 1.0 0.0 6.10 1612 1220 A 131 ALA HB% A 132 SER HBx 1.0 0.0 6.10 1613 1221 A 132 SER H A 132 SER HBy 1.0 0.0 3.60 1614 1221 A 132 SER H A 132 SER HBx 1.0 0.0 3.60 1615 1222 A 133 VAL H A 132 SER HBy 1.0 0.0 3.64 1616 1222 A 133 VAL H A 132 SER HBx 1.0 0.0 3.64 1617 1223 A 133 VAL HA A 132 SER HBy 1.0 0.0 5.19 1618 1223 A 133 VAL HA A 132 SER HBx 1.0 0.0 5.19 1619 1224 A 132 SER HBy A 133 VAL HG1% 1.0 0.0 4.94 1620 1224 A 132 SER HBx A 133 VAL HG1% 1.0 0.0 4.94 1621 1224 A 133 VAL HG2% A 132 SER HBy 1.0 0.0 4.94 1622 1224 A 133 VAL HG2% A 132 SER HBx 1.0 0.0 4.94 1623 1225 A 136 ARG H A 136 ARG HGx 1.0 0.0 4.53 1624 1225 A 136 ARG H A 136 ARG HGy 1.0 0.0 4.53 1625 1226 A 137 ALA H A 136 ARG HGx 1.0 0.0 4.79 1626 1226 A 137 ALA H A 136 ARG HGy 1.0 0.0 4.79 1627 1227 A 138 LEU HD1% A 138 LEU HBy 1.0 0.0 3.52 1628 1227 A 138 LEU HD1% A 138 LEU HBx 1.0 0.0 3.52 1629 1228 A 139 GLU H A 138 LEU HBy 1.0 0.0 4.03 1630 1228 A 139 GLU H A 138 LEU HBx 1.0 0.0 4.03 1631 1229 A 138 LEU HBy A 139 GLU HB2 1.0 0.0 5.03 1632 1229 A 138 LEU HBx A 139 GLU HB2 1.0 0.0 5.03 1633 1229 A 139 GLU HB3 A 138 LEU HBy 1.0 0.0 5.03 1634 1229 A 139 GLU HB3 A 138 LEU HBx 1.0 0.0 5.03 1635 1230 A 139 GLU HA A 140 HIS HBy 1.0 0.0 4.79 1636 1230 A 139 GLU HA A 140 HIS HBx 1.0 0.0 4.79 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 59 PRO C A 60 VAL N A 60 VAL CA A 60 VAL C 1.0 -138.0 -58.0 PHI 2 2 A 60 VAL N A 60 VAL CA A 60 VAL C A 61 LEU N 1.0 92.0 144.0 PSI 3 3 A 60 VAL C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -132.0 -56.0 PHI 4 4 A 61 LEU N A 61 LEU CA A 61 LEU C A 62 PRO N 1.0 86.0 178.0 PSI 5 5 A 62 PRO C A 63 THR N A 63 THR CA A 63 THR C 1.0 -144.0 -64.0 PHI 6 6 A 63 THR N A 63 THR CA A 63 THR C A 64 ALA N 1.0 108.0 152.0 PSI 7 7 A 63 THR C A 64 ALA N A 64 ALA CA A 64 ALA C 1.0 -130.0 -62.0 PHI 8 8 A 64 ALA N A 64 ALA CA A 64 ALA C A 65 ARG N 1.0 104.0 156.0 PSI 9 9 A 64 ALA C A 65 ARG N A 65 ARG CA A 65 ARG C 1.0 -147.0 -91.0 PHI 10 10 A 65 ARG N A 65 ARG CA A 65 ARG C A 66 PHE N 1.0 126.0 178.0 PSI 11 11 A 65 ARG C A 66 PHE N A 66 PHE CA A 66 PHE C 1.0 -158.0 -94.0 PHI 12 12 A 66 PHE N A 66 PHE CA A 66 PHE C A 67 THR N 1.0 134.0 174.0 PSI 13 13 A 66 PHE C A 67 THR N A 67 THR CA A 67 THR C 1.0 -161.0 -93.0 PHI 14 14 A 67 THR N A 67 THR CA A 67 THR C A 68 SER N 1.0 131.0 179.0 PSI 15 15 A 67 THR C A 68 SER N A 68 SER CA A 68 SER C 1.0 -169.0 -65.0 PHI 16 16 A 68 SER N A 68 SER CA A 68 SER C A 69 ASP N 1.0 136.0 180.0 PSI 17 17 A 71 THR C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 -179.0 -75.0 PHI 18 18 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 GLY N 1.0 124.0 184.0 PSI 19 19 A 73 GLY C A 74 PHE N A 74 PHE CA A 74 PHE C 1.0 -165.0 27.0 PHI 20 20 A 74 PHE N A 74 PHE CA A 74 PHE C A 75 ALA N 1.0 60.0 224.0 PSI 21 21 A 74 PHE C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -110.0 -46.0 PHI 22 22 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 PRO N 1.0 101.0 177.0 PSI 23 23 A 79 VAL C A 80 ARG N A 80 ARG CA A 80 ARG C 1.0 -184.0 48.0 PHI 24 24 A 80 ARG N A 80 ARG CA A 80 ARG C A 81 PHE N 1.0 95.0 167.0 PSI 25 25 A 80 ARG C A 81 PHE N A 81 PHE CA A 81 PHE C 1.0 -147.0 -67.0 PHI 26 26 A 81 PHE N A 81 PHE CA A 81 PHE C A 82 LYS N 1.0 125.0 169.0 PSI 27 27 A 81 PHE C A 82 LYS N A 82 LYS CA A 82 LYS C 1.0 -177.0 -61.0 PHI 28 28 A 82 LYS N A 82 LYS CA A 82 LYS C A 83 ASP N 1.0 116.0 164.0 PSI 29 29 A 82 LYS C A 83 ASP N A 83 ASP CA A 83 ASP C 1.0 -130.0 -74.0 PHI 30 30 A 83 ASP N A 83 ASP CA A 83 ASP C A 84 PHE N 1.0 101.0 141.0 PSI 31 31 A 85 SER C A 86 GLU N A 86 GLU CA A 86 GLU C 1.0 -161.0 -89.0 PHI 32 32 A 86 GLU N A 86 GLU CA A 86 GLU C A 87 ASN N 1.0 140.0 192.0 PSI 33 33 A 86 GLU C A 87 ASN N A 87 ASN CA A 87 ASN C 1.0 39.0 71.0 PHI 34 34 A 87 ASN N A 87 ASN CA A 87 ASN C A 88 ALA N 1.0 18.0 62.0 PSI 35 35 A 87 ASN C A 88 ALA N A 88 ALA CA A 88 ALA C 1.0 -139.0 -51.0 PHI 36 36 A 88 ALA N A 88 ALA CA A 88 ALA C A 89 THR N 1.0 138.0 170.0 PSI 37 37 A 88 ALA C A 89 THR N A 89 THR CA A 89 THR C 1.0 -118.0 -70.0 PHI 38 38 A 89 THR N A 89 THR CA A 89 THR C A 90 SER N 1.0 -63.0 25.0 PSI 39 39 A 89 THR C A 90 SER N A 90 SER CA A 90 SER C 1.0 -193.0 -73.0 PHI 40 40 A 90 SER N A 90 SER CA A 90 SER C A 91 ARG N 1.0 129.0 181.0 PSI 41 41 A 90 SER C A 91 ARG N A 91 ARG CA A 91 ARG C 1.0 -170.0 -102.0 PHI 42 42 A 91 ARG N A 91 ARG CA A 91 ARG C A 92 LEU N 1.0 136.0 172.0 PSI 43 43 A 91 ARG C A 92 LEU N A 92 LEU CA A 92 LEU C 1.0 -173.0 -101.0 PHI 44 44 A 92 LEU N A 92 LEU CA A 92 LEU C A 93 TRP N 1.0 95.0 167.0 PSI 45 45 A 92 LEU C A 93 TRP N A 93 TRP CA A 93 TRP C 1.0 -150.0 -94.0 PHI 46 46 A 93 TRP N A 93 TRP CA A 93 TRP C A 94 MET N 1.0 114.0 166.0 PSI 47 47 A 93 TRP C A 94 MET N A 94 MET CA A 94 MET C 1.0 -127.0 -51.0 PHI 48 48 A 94 MET N A 94 MET CA A 94 MET C A 95 PHE N 1.0 84.0 196.0 PSI 49 49 A 95 PHE C A 96 GLY N A 96 GLY CA A 96 GLY C 1.0 47.0 111.0 PHI 50 50 A 96 GLY N A 96 GLY CA A 96 GLY C A 97 ASP N 1.0 -19.0 61.0 PSI 51 51 A 96 GLY C A 97 ASP N A 97 ASP CA A 97 ASP C 1.0 -127.0 -79.0 PHI 52 52 A 97 ASP N A 97 ASP CA A 97 ASP C A 98 GLY N 1.0 101.0 193.0 PSI 53 53 A 97 ASP C A 98 GLY N A 98 GLY CA A 98 GLY C 1.0 -324.0 -32.0 PHI 54 54 A 98 GLY N A 98 GLY CA A 98 GLY C A 99 ASN N 1.0 85.0 229.0 PSI 55 55 A 98 GLY C A 99 ASN N A 99 ASN CA A 99 ASN C 1.0 -134.0 -54.0 PHI 56 56 A 99 ASN N A 99 ASN CA A 99 ASN C A 100 THR N 1.0 86.0 194.0 PSI 57 57 A 99 ASN C A 100 THR N A 100 THR CA A 100 THR C 1.0 -171.0 -83.0 PHI 58 58 A 100 THR N A 100 THR CA A 100 THR C A 101 SER N 1.0 138.0 194.0 PSI 59 59 A 101 SER C A 102 ASP N A 102 ASP CA A 102 ASP C 1.0 -172.0 -40.0 PHI 60 60 A 102 ASP N A 102 ASP CA A 102 ASP C A 103 SER N 1.0 92.0 184.0 PSI 61 61 A 102 ASP C A 103 SER N A 103 SER CA A 103 SER C 1.0 -147.0 -43.0 PHI 62 62 A 103 SER N A 103 SER CA A 103 SER C A 104 PRO N 1.0 89.0 189.0 PSI 63 63 A 104 PRO C A 105 SER N A 105 SER CA A 105 SER C 1.0 -176.0 -88.0 PHI 64 64 A 105 SER N A 105 SER CA A 105 SER C A 106 PRO N 1.0 23.0 195.0 PSI 65 65 A 108 HIS C A 109 THR N A 109 THR CA A 109 THR C 1.0 -231.0 121.0 PHI 66 66 A 109 THR N A 109 THR CA A 109 THR C A 110 PHE N 1.0 66.0 222.0 PSI 67 67 A 109 THR C A 110 PHE N A 110 PHE CA A 110 PHE C 1.0 -134.0 -54.0 PHI 68 68 A 110 PHE N A 110 PHE CA A 110 PHE C A 111 PHE N 1.0 63.0 191.0 PSI 69 69 A 110 PHE C A 111 PHE N A 111 PHE CA A 111 PHE C 1.0 -91.0 -59.0 PHI 70 70 A 111 PHE N A 111 PHE CA A 111 PHE C A 112 ASN N 1.0 -66.0 -14.0 PSI 71 71 A 112 ASN C A 113 GLU N A 113 GLU CA A 113 GLU C 1.0 -115.0 -55.0 PHI 72 72 A 113 GLU N A 113 GLU CA A 113 GLU C A 114 GLY N 1.0 98.0 174.0 PSI 73 73 A 114 GLY C A 115 GLU N A 115 GLU CA A 115 GLU C 1.0 -147.0 -79.0 PHI 74 74 A 115 GLU N A 115 GLU CA A 115 GLU C A 116 TYR N 1.0 103.0 171.0 PSI 75 75 A 115 GLU C A 116 TYR N A 116 TYR CA A 116 TYR C 1.0 -156.0 -88.0 PHI 76 76 A 116 TYR N A 116 TYR CA A 116 TYR C A 117 ILE N 1.0 98.0 166.0 PSI 77 77 A 116 TYR C A 117 ILE N A 117 ILE CA A 117 ILE C 1.0 -141.0 -69.0 PHI 78 78 A 117 ILE N A 117 ILE CA A 117 ILE C A 118 VAL N 1.0 101.0 133.0 PSI 79 79 A 117 ILE C A 118 VAL N A 118 VAL CA A 118 VAL C 1.0 -132.0 -84.0 PHI 80 80 A 118 VAL N A 118 VAL CA A 118 VAL C A 119 SER N 1.0 112.0 152.0 PSI 81 81 A 118 VAL C A 119 SER N A 119 SER CA A 119 SER C 1.0 -138.0 -98.0 PHI 82 82 A 119 SER N A 119 SER CA A 119 SER C A 120 LEU N 1.0 114.0 154.0 PSI 83 83 A 119 SER C A 120 LEU N A 120 LEU CA A 120 LEU C 1.0 -168.0 -72.0 PHI 84 84 A 120 LEU N A 120 LEU CA A 120 LEU C A 121 ILE N 1.0 104.0 156.0 PSI 85 85 A 120 LEU C A 121 ILE N A 121 ILE CA A 121 ILE C 1.0 -144.0 -68.0 PHI 86 86 A 121 ILE N A 121 ILE CA A 121 ILE C A 122 VAL N 1.0 94.0 174.0 PSI 87 87 A 121 ILE C A 122 VAL N A 122 VAL CA A 122 VAL C 1.0 -154.0 -114.0 PHI 88 88 A 122 VAL N A 122 VAL CA A 122 VAL C A 123 SER N 1.0 149.0 181.0 PSI 89 89 A 122 VAL C A 123 SER N A 123 SER CA A 123 SER C 1.0 -171.0 -99.0 PHI 90 90 A 123 SER N A 123 SER CA A 123 SER C A 124 ASN N 1.0 123.0 167.0 PSI 91 91 A 123 SER C A 124 ASN N A 124 ASN CA A 124 ASN C 1.0 -184.0 -40.0 PHI 92 92 A 124 ASN N A 124 ASN CA A 124 ASN C A 125 GLU N 1.0 130.0 214.0 PSI 93 93 A 124 ASN C A 125 GLU N A 125 GLU CA A 125 GLU C 1.0 -83.0 -35.0 PHI 94 94 A 125 GLU N A 125 GLU CA A 125 GLU C A 126 ASN N 1.0 -51.0 -7.0 PSI 95 95 A 125 GLU C A 126 ASN N A 126 ASN CA A 126 ASN C 1.0 -121.0 -73.0 PHI 96 96 A 126 ASN N A 126 ASN CA A 126 ASN C A 127 ASP N 1.0 -58.0 22.0 PSI 97 97 A 126 ASN C A 127 ASP N A 127 ASP CA A 127 ASP C 1.0 -254.0 -34.0 PHI 98 98 A 127 ASP N A 127 ASP CA A 127 ASP C A 128 SER N 1.0 139.0 175.0 PSI 99 99 A 127 ASP C A 128 SER N A 128 SER CA A 128 SER C 1.0 -163.0 -95.0 PHI 100 100 A 128 SER N A 128 SER CA A 128 SER C A 129 ASP N 1.0 131.0 167.0 PSI 101 101 A 128 SER C A 129 ASP N A 129 ASP CA A 129 ASP C 1.0 -253.0 -77.0 PHI 102 102 A 129 ASP N A 129 ASP CA A 129 ASP C A 130 SER N 1.0 121.0 193.0 PSI 103 103 A 129 ASP C A 130 SER N A 130 SER CA A 130 SER C 1.0 -170.0 -110.0 PHI 104 104 A 130 SER N A 130 SER CA A 130 SER C A 131 ALA N 1.0 131.0 171.0 PSI 105 105 A 130 SER C A 131 ALA N A 131 ALA CA A 131 ALA C 1.0 -171.0 -99.0 PHI 106 106 A 131 ALA N A 131 ALA CA A 131 ALA C A 132 SER N 1.0 120.0 176.0 PSI 107 107 A 131 ALA C A 132 SER N A 132 SER CA A 132 SER C 1.0 -176.0 -88.0 PHI 108 108 A 132 SER N A 132 SER CA A 132 SER C A 133 VAL N 1.0 138.0 174.0 PSI 109 109 A 132 SER C A 133 VAL N A 133 VAL CA A 133 VAL C 1.0 -168.0 -120.0 PHI 110 110 A 133 VAL N A 133 VAL CA A 133 VAL C A 134 THR N 1.0 129.0 157.0 PSI 111 111 A 133 VAL C A 134 THR N A 134 THR CA A 134 THR C 1.0 -150.0 -70.0 PHI 112 112 A 134 THR N A 134 THR CA A 134 THR C A 135 ILE N 1.0 106.0 142.0 PSI 113 113 A 134 THR C A 135 ILE N A 135 ILE CA A 135 ILE C 1.0 -135.0 -91.0 PHI 114 114 A 135 ILE N A 135 ILE CA A 135 ILE C A 136 ARG N 1.0 108.0 144.0 PSI 115 115 A 135 ILE C A 136 ARG N A 136 ARG CA A 136 ARG C 1.0 -133.0 -93.0 PHI 116 116 A 136 ARG N A 136 ARG CA A 136 ARG C A 137 ALA N 1.0 90.0 150.0 PSI 117 117 A 136 ARG C A 137 ALA N A 137 ALA CA A 137 ALA C 1.0 -157.0 -69.0 PHI 118 118 A 137 ALA N A 137 ALA CA A 137 ALA C A 138 LEU N 1.0 113.0 153.0 PSI 119 119 A 137 ALA C A 138 LEU N A 138 LEU CA A 138 LEU C 1.0 -143.0 -55.0 PHI 120 120 A 138 LEU N A 138 LEU CA A 138 LEU C A 139 GLU N 1.0 113.0 177.0 PSI 121 121 A 138 LEU C A 139 GLU N A 139 GLU CA A 139 GLU C 1.0 -143.0 -47.0 PHI 122 122 A 139 GLU N A 139 GLU CA A 139 GLU C A 140 HIS N 1.0 81.0 181.0 PSI 123 123 A 139 GLU C A 140 HIS N A 140 HIS CA A 140 HIS C 1.0 -121.0 -41.0 PHI 124 124 A 140 HIS N A 140 HIS CA A 140 HIS C A 141 HIS N 1.0 104.0 168.0 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 61 LEU N A 61 LEU H 1.0 . . . 2 2 A 63 THR N A 63 THR H 1.0 . . . 3 3 A 65 ARG N A 65 ARG H 1.0 . . . 4 4 A 67 THR N A 67 THR H 1.0 . . . 5 5 A 68 SER N A 68 SER H 1.0 . . . 6 6 A 69 ASP N A 69 ASP H 1.0 . . . 7 7 A 70 ILE N A 70 ILE H 1.0 . . . 8 8 A 71 THR N A 71 THR H 1.0 . . . 9 9 A 72 GLU N A 72 GLU H 1.0 . . . 10 10 A 73 GLY N A 73 GLY H 1.0 . . . 11 11 A 74 PHE N A 74 PHE H 1.0 . . . 12 12 A 75 ALA N A 75 ALA H 1.0 . . . 13 13 A 77 LEU N A 77 LEU H 1.0 . . . 14 14 A 78 SER N A 78 SER H 1.0 . . . 15 15 A 79 VAL N A 79 VAL H 1.0 . . . 16 16 A 83 ASP N A 83 ASP H 1.0 . . . 17 17 A 84 PHE N A 84 PHE H 1.0 . . . 18 18 A 85 SER N A 85 SER H 1.0 . . . 19 19 A 86 GLU N A 86 GLU H 1.0 . . . 20 20 A 87 ASN N A 87 ASN H 1.0 . . . 21 21 A 88 ALA N A 88 ALA H 1.0 . . . 22 22 A 89 THR N A 89 THR H 1.0 . . . 23 23 A 90 SER N A 90 SER H 1.0 . . . 24 24 A 91 ARG N A 91 ARG H 1.0 . . . 25 25 A 92 LEU N A 92 LEU H 1.0 . . . 26 26 A 93 TRP N A 93 TRP H 1.0 . . . 27 27 A 93 TRP NE1 A 93 TRP HE1 1.0 . . . 28 28 A 95 PHE N A 95 PHE H 1.0 . . . 29 29 A 97 ASP N A 97 ASP H 1.0 . . . 30 30 A 99 ASN N A 99 ASN H 1.0 . . . 31 31 A 100 THR N A 100 THR H 1.0 . . . 32 32 A 101 SER N A 101 SER H 1.0 . . . 33 33 A 105 SER N A 105 SER H 1.0 . . . 34 34 A 110 PHE N A 110 PHE H 1.0 . . . 35 35 A 111 PHE N A 111 PHE H 1.0 . . . 36 36 A 112 ASN N A 112 ASN H 1.0 . . . 37 37 A 113 GLU N A 113 GLU H 1.0 . . . 38 38 A 114 GLY N A 114 GLY H 1.0 . . . 39 39 A 115 GLU N A 115 GLU H 1.0 . . . 40 40 A 116 TYR N A 116 TYR H 1.0 . . . 41 41 A 117 ILE N A 117 ILE H 1.0 . . . 42 42 A 118 VAL N A 118 VAL H 1.0 . . . 43 43 A 119 SER N A 119 SER H 1.0 . . . 44 44 A 120 LEU N A 120 LEU H 1.0 . . . 45 45 A 121 ILE N A 121 ILE H 1.0 . . . 46 46 A 123 SER N A 123 SER H 1.0 . . . 47 47 A 124 ASN N A 124 ASN H 1.0 . . . 48 48 A 125 GLU N A 125 GLU H 1.0 . . . 49 49 A 126 ASN N A 126 ASN H 1.0 . . . 50 50 A 127 ASP N A 127 ASP H 1.0 . . . 51 51 A 128 SER N A 128 SER H 1.0 . . . 52 52 A 129 ASP N A 129 ASP H 1.0 . . . 53 53 A 130 SER N A 130 SER H 1.0 . . . 54 54 A 131 ALA N A 131 ALA H 1.0 . . . 55 55 A 132 SER N A 132 SER H 1.0 . . . 56 56 A 133 VAL N A 133 VAL H 1.0 . . . 57 57 A 134 THR N A 134 THR H 1.0 . . . 58 58 A 135 ILE N A 135 ILE H 1.0 . . . 59 59 A 136 ARG N A 136 ARG H 1.0 . . . 60 60 A 137 ALA N A 137 ALA H 1.0 . . . stop_ save_ save_aliphatic _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode aliphatic _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 13 2 1H 13 3 13C 40 stop_ save_ save_aromatic _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode aromatic _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 13 2 1H 13 3 13C 40 stop_ save_ save_amide _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode amide _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 13 2 1H 13 3 15N 30 stop_ save_