data_nef_c16068_2kca 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 35 MET start . . 2 A 36 TYR middle . . 3 A 37 GLU middle . . 4 A 38 GLU middle . . 5 A 39 PHE middle . . 6 A 40 ARG middle . . 7 A 41 ASP middle . . 8 A 42 VAL middle . . 9 A 43 ILE middle . . 10 A 44 THR middle . . 11 A 45 PHE middle . . 12 A 46 GLN middle . . 13 A 47 SER middle . . 14 A 48 TYR middle . . 15 A 49 VAL middle . . 16 A 50 GLU middle . . 17 A 51 GLN middle . . 18 A 52 SER middle . . 19 A 53 ASN middle . . 20 A 54 GLY middle . false 21 A 55 GLU middle . . 22 A 56 GLY middle . false 23 A 57 GLY middle . false 24 A 58 LYS middle . . 25 A 59 THR middle . . 26 A 60 TYR middle . . 27 A 61 LYS middle . . 28 A 62 TRP middle . . 29 A 63 VAL middle . . 30 A 64 ASP middle . . 31 A 65 GLU middle . . 32 A 66 PHE middle . . 33 A 67 THR middle . . 34 A 68 ALA middle . . 35 A 69 ALA middle . . 36 A 70 ALA middle . . 37 A 71 HIS middle . . 38 A 72 VAL middle . . 39 A 73 GLN middle . . 40 A 74 PRO middle . false 41 A 75 ILE middle . . 42 A 76 SER middle . . 43 A 77 GLN middle . . 44 A 78 GLU middle . . 45 A 79 GLU middle . . 46 A 80 TYR middle . . 47 A 81 TYR middle . . 48 A 82 LYS middle . . 49 A 83 ALA middle . . 50 A 84 GLN middle . . 51 A 85 GLN middle . . 52 A 86 LEU middle . . 53 A 87 GLN middle . . 54 A 88 THR middle . . 55 A 89 PRO middle . false 56 A 90 ILE middle . . 57 A 91 GLY middle . false 58 A 92 TYR middle . . 59 A 93 ASN middle . . 60 A 94 ILE middle . . 61 A 95 TYR middle . . 62 A 96 THR middle . . 63 A 97 PRO middle . false 64 A 98 TYR middle . . 65 A 99 ASP middle . . 66 A 100 ASP middle . . 67 A 101 ARG middle . . 68 A 102 ILE middle . . 69 A 103 ASP middle . . 70 A 104 LYS middle . . 71 A 105 LYS middle . . 72 A 106 MET middle . . 73 A 107 ARG middle . . 74 A 108 VAL middle . . 75 A 109 ILE middle . . 76 A 110 TYR middle . . 77 A 111 ARG middle . . 78 A 112 GLY middle . false 79 A 113 LYS middle . . 80 A 114 ILE middle . . 81 A 115 VAL middle . . 82 A 116 THR middle . . 83 A 117 PHE middle . . 84 A 118 ILE middle . . 85 A 119 GLY middle . false 86 A 120 ASP middle . . 87 A 121 PRO middle . false 88 A 122 VAL middle . . 89 A 123 ASP middle . . 90 A 124 LEU middle . . 91 A 125 SER middle . . 92 A 126 GLY middle . false 93 A 127 LEU middle . . 94 A 128 GLN middle . . 95 A 129 GLU middle . . 96 A 130 ILE middle . . 97 A 131 THR middle . . 98 A 132 ARG middle . . 99 A 133 ILE middle . . 100 A 134 LYS middle . . 101 A 135 GLY middle . false 102 A 136 LYS middle . . 103 A 137 GLU middle . . 104 A 138 ASP middle . . 105 A 139 GLY middle . false 106 A 140 ALA middle . . 107 A 141 TYR middle . . 108 A 142 VAL middle . . 109 A 143 GLY end . false 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 35 MET H1 H 1 7.977 0.02 A 35 MET HA H 1 4.073 0.02 A 35 MET HB2 H 1 2.180 0.02 A 35 MET HB3 H 1 1.740 0.02 A 35 MET C C 13 175.700 0.10 A 35 MET CA C 13 56.519 0.10 A 35 MET CB C 13 31.877 0.10 A 35 MET N N 15 120.632 0.10 A 36 TYR H H 1 7.537 0.02 A 36 TYR HA H 1 3.945 0.02 A 36 TYR HB2 H 1 2.720 0.02 A 36 TYR HB3 H 1 2.630 0.02 A 36 TYR HD1 H 1 6.770 0.02 A 36 TYR HE1 H 1 6.640 0.02 A 36 TYR C C 13 176.000 0.10 A 36 TYR CA C 13 57.871 0.10 A 36 TYR CB C 13 37.248 0.10 A 36 TYR N N 15 117.048 0.10 A 37 GLU H H 1 7.718 0.02 A 37 GLU HA H 1 4.025 0.02 A 37 GLU HB2 H 1 1.910 0.02 A 37 GLU HB3 H 1 1.730 0.02 A 37 GLU HG2 H 1 2.100 0.02 A 37 GLU C C 13 176.100 0.10 A 37 GLU CA C 13 56.788 0.10 A 37 GLU CB C 13 29.527 0.10 A 37 GLU CG C 13 35.700 0.10 A 37 GLU N N 15 118.925 0.10 A 38 GLU H H 1 7.866 0.02 A 38 GLU HA H 1 4.215 0.02 A 38 GLU HB2 H 1 1.790 0.02 A 38 GLU HB3 H 1 2.070 0.02 A 38 GLU HG2 H 1 1.980 0.02 A 38 GLU HG3 H 1 2.150 0.02 A 38 GLU C C 13 176.205 0.10 A 38 GLU CA C 13 55.595 0.10 A 38 GLU CB C 13 29.162 0.10 A 38 GLU N N 15 116.623 0.10 A 39 PHE H H 1 8.087 0.02 A 39 PHE HA H 1 4.780 0.02 A 39 PHE HB2 H 1 3.250 0.02 A 39 PHE HB3 H 1 3.020 0.02 A 39 PHE HD1 H 1 7.160 0.02 A 39 PHE HE1 H 1 6.940 0.02 A 39 PHE HZ H 1 7.010 0.02 A 39 PHE C C 13 176.758 0.10 A 39 PHE CA C 13 54.914 0.10 A 39 PHE CB C 13 36.531 0.10 A 39 PHE N N 15 121.852 0.10 A 40 ARG HA H 1 4.515 0.02 A 40 ARG C C 13 176.376 0.10 A 40 ARG CA C 13 56.288 0.10 A 40 ARG CB C 13 31.100 0.10 A 41 ASP H H 1 8.851 0.02 A 41 ASP HA H 1 5.182 0.02 A 41 ASP HB2 H 1 2.590 0.02 A 41 ASP C C 13 175.379 0.10 A 41 ASP CA C 13 53.324 0.10 A 41 ASP CB C 13 44.292 0.10 A 41 ASP N N 15 119.795 0.10 A 42 VAL H H 1 8.580 0.02 A 42 VAL HA H 1 4.856 0.02 A 42 VAL HB H 1 1.890 0.02 A 42 VAL HG1% H 1 0.910 0.02 A 42 VAL HG2% H 1 0.860 0.02 A 42 VAL C C 13 175.170 0.10 A 42 VAL CA C 13 61.398 0.10 A 42 VAL CB C 13 33.643 0.10 A 42 VAL CG1 C 13 20.300 0.10 A 42 VAL CG2 C 13 20.700 0.10 A 42 VAL N N 15 120.042 0.10 A 43 ILE H H 1 8.765 0.02 A 43 ILE HA H 1 4.939 0.02 A 43 ILE HB H 1 1.550 0.02 A 43 ILE C C 13 173.755 0.10 A 43 ILE CA C 13 58.528 0.10 A 43 ILE CB C 13 40.437 0.10 A 43 ILE N N 15 117.778 0.10 A 44 THR H H 1 7.834 0.02 A 44 THR HA H 1 4.709 0.02 A 44 THR HB H 1 3.610 0.02 A 44 THR HG2% H 1 0.970 0.02 A 44 THR C C 13 173.691 0.10 A 44 THR CA C 13 61.662 0.10 A 44 THR CB C 13 70.906 0.10 A 44 THR CG2 C 13 20.300 0.10 A 44 THR N N 15 116.613 0.10 A 45 PHE H H 1 8.821 0.02 A 45 PHE HA H 1 4.807 0.02 A 45 PHE C C 13 175.619 0.10 A 45 PHE CA C 13 57.779 0.10 A 45 PHE CB C 13 39.649 0.10 A 45 PHE N N 15 125.155 0.10 A 46 GLN H H 1 9.103 0.02 A 46 GLN HA H 1 5.573 0.02 A 46 GLN HB2 H 1 2.110 0.02 A 46 GLN HB3 H 1 1.890 0.02 A 46 GLN HG2 H 1 2.220 0.02 A 46 GLN C C 13 175.011 0.10 A 46 GLN CA C 13 54.423 0.10 A 46 GLN CB C 13 34.467 0.10 A 46 GLN N N 15 119.069 0.10 A 47 SER H H 1 8.730 0.02 A 47 SER HA H 1 5.229 0.02 A 47 SER HB2 H 1 3.680 0.02 A 47 SER C C 13 171.559 0.10 A 47 SER CA C 13 56.514 0.10 A 47 SER CB C 13 66.075 0.10 A 47 SER N N 15 114.734 0.10 A 48 TYR H H 1 8.544 0.02 A 48 TYR HA H 1 4.256 0.02 A 48 TYR HB2 H 1 2.120 0.02 A 48 TYR HB3 H 1 0.460 0.02 A 48 TYR HD1 H 1 5.770 0.02 A 48 TYR HE1 H 1 6.260 0.02 A 48 TYR C C 13 175.437 0.10 A 48 TYR CA C 13 56.137 0.10 A 48 TYR CB C 13 36.242 0.10 A 48 TYR CD1 C 13 132.300 0.10 A 48 TYR CE1 C 13 117.100 0.10 A 48 TYR N N 15 126.962 0.10 A 49 VAL H H 1 8.537 0.02 A 49 VAL HA H 1 4.360 0.02 A 49 VAL HB H 1 1.900 0.02 A 49 VAL HG1% H 1 0.760 0.02 A 49 VAL C C 13 174.600 0.10 A 49 VAL CA C 13 62.600 0.10 A 49 VAL CB C 13 35.100 0.10 A 49 VAL CG1 C 13 19.800 0.10 A 49 VAL N N 15 123.837 0.10 A 50 GLU H H 1 8.296 0.02 A 50 GLU HA H 1 3.702 0.02 A 50 GLU HB2 H 1 1.680 0.02 A 50 GLU HB3 H 1 1.570 0.02 A 50 GLU HG2 H 1 1.800 0.02 A 50 GLU C C 13 175.947 0.10 A 50 GLU CA C 13 55.400 0.10 A 50 GLU CB C 13 30.100 0.10 A 50 GLU N N 15 124.989 0.10 A 51 GLN H H 1 8.529 0.02 A 51 GLN HA H 1 4.415 0.02 A 51 GLN HB2 H 1 1.940 0.02 A 51 GLN HB3 H 1 1.730 0.02 A 51 GLN HG2 H 1 2.080 0.02 A 51 GLN C C 13 175.122 0.10 A 51 GLN CA C 13 54.060 0.10 A 51 GLN CB C 13 29.943 0.10 A 51 GLN CG C 13 33.300 0.10 A 51 GLN N N 15 124.656 0.10 A 52 SER HA H 1 4.420 0.02 A 52 SER C C 13 173.505 0.10 A 52 SER CA C 13 58.279 0.10 A 52 SER CB C 13 63.835 0.10 A 53 ASN H H 1 8.109 0.02 A 53 ASN HA H 1 4.399 0.02 A 53 ASN HB2 H 1 2.700 0.02 A 53 ASN HB3 H 1 2.370 0.02 A 53 ASN C C 13 179.837 0.10 A 53 ASN CA C 13 54.664 0.10 A 53 ASN CB C 13 39.983 0.10 A 53 ASN N N 15 126.199 0.10 A 54 GLY H H 1 8.166 0.02 A 54 GLY HA2 H 1 3.911 0.02 A 54 GLY C C 13 174.876 0.10 A 54 GLY CA C 13 45.206 0.10 A 54 GLY N N 15 113.067 0.10 A 56 GLY CA C 13 45.279 0.10 A 57 GLY H H 1 8.235 0.02 A 57 GLY HA2 H 1 3.929 0.02 A 57 GLY C C 13 173.796 0.10 A 57 GLY CA C 13 45.348 0.10 A 57 GLY N N 15 108.389 0.10 A 58 LYS HA H 1 4.804 0.02 A 58 LYS C C 13 175.908 0.10 A 58 LYS CA C 13 54.833 0.10 A 58 LYS CB C 13 34.402 0.10 A 59 THR H H 1 8.413 0.02 A 59 THR HA H 1 4.482 0.02 A 59 THR HB H 1 4.010 0.02 A 59 THR HG2% H 1 1.060 0.02 A 59 THR C C 13 171.934 0.10 A 59 THR CA C 13 60.144 0.10 A 59 THR CB C 13 71.035 0.10 A 59 THR CG2 C 13 20.300 0.10 A 59 THR N N 15 115.947 0.10 A 60 TYR H H 1 8.182 0.02 A 60 TYR HA H 1 4.883 0.02 A 60 TYR HB2 H 1 2.330 0.02 A 60 TYR HB3 H 1 1.530 0.02 A 60 TYR HD1 H 1 6.530 0.02 A 60 TYR HE1 H 1 6.660 0.02 A 60 TYR C C 13 173.593 0.10 A 60 TYR CA C 13 54.043 0.10 A 60 TYR CB C 13 40.100 0.10 A 60 TYR CD1 C 13 132.700 0.10 A 60 TYR N N 15 121.985 0.10 A 61 LYS H H 1 8.385 0.02 A 61 LYS HA H 1 4.563 0.02 A 61 LYS C C 13 174.186 0.10 A 61 LYS CA C 13 54.589 0.10 A 61 LYS CB C 13 35.801 0.10 A 61 LYS N N 15 120.203 0.10 A 62 TRP H H 1 8.524 0.02 A 62 TRP HA H 1 5.361 0.02 A 62 TRP HB2 H 1 3.010 0.02 A 62 TRP HB3 H 1 2.890 0.02 A 62 TRP HD1 H 1 7.120 0.02 A 62 TRP HE1 H 1 9.740 0.02 A 62 TRP C C 13 176.934 0.10 A 62 TRP CA C 13 56.499 0.10 A 62 TRP CB C 13 29.300 0.10 A 62 TRP N N 15 122.913 0.10 A 62 TRP NE1 N 15 130.200 0.10 A 63 VAL H H 1 9.470 0.02 A 63 VAL HA H 1 4.626 0.02 A 63 VAL HB H 1 2.080 0.02 A 63 VAL HG1% H 1 0.900 0.02 A 63 VAL HG2% H 1 0.850 0.02 A 63 VAL C C 13 175.264 0.10 A 63 VAL CA C 13 59.163 0.10 A 63 VAL CB C 13 34.759 0.10 A 63 VAL CG1 C 13 20.800 0.10 A 63 VAL CG2 C 13 19.500 0.10 A 63 VAL N N 15 120.454 0.10 A 64 ASP H H 1 8.576 0.02 A 64 ASP HA H 1 4.386 0.02 A 64 ASP C C 13 174.186 0.10 A 64 ASP CA C 13 55.907 0.10 A 64 ASP CB C 13 39.942 0.10 A 64 ASP N N 15 123.588 0.10 A 65 GLU H H 1 9.482 0.02 A 65 GLU HA H 1 4.674 0.02 A 65 GLU HB2 H 1 2.170 0.02 A 65 GLU HB3 H 1 1.760 0.02 A 65 GLU HG2 H 1 2.350 0.02 A 65 GLU C C 13 176.000 0.10 A 65 GLU CA C 13 57.263 0.10 A 65 GLU CB C 13 30.200 0.10 A 65 GLU CG C 13 34.600 0.10 A 65 GLU N N 15 124.008 0.10 A 66 PHE H H 1 7.257 0.02 A 66 PHE HA H 1 4.940 0.02 A 66 PHE HB2 H 1 2.350 0.02 A 66 PHE C C 13 172.742 0.10 A 66 PHE CA C 13 56.316 0.10 A 66 PHE CB C 13 38.948 0.10 A 66 PHE N N 15 110.866 0.10 A 67 THR H H 1 8.603 0.02 A 67 THR HA H 1 5.377 0.02 A 67 THR HB H 1 4.000 0.02 A 67 THR HG2% H 1 1.210 0.02 A 67 THR C C 13 173.388 0.10 A 67 THR CA C 13 60.207 0.10 A 67 THR CB C 13 71.620 0.10 A 67 THR CG2 C 13 21.100 0.10 A 67 THR N N 15 114.847 0.10 A 68 ALA H H 1 9.185 0.02 A 68 ALA HA H 1 4.873 0.02 A 68 ALA HB% H 1 1.510 0.02 A 68 ALA C C 13 174.999 0.10 A 68 ALA CA C 13 50.660 0.10 A 68 ALA CB C 13 23.911 0.10 A 68 ALA N N 15 125.817 0.10 A 69 ALA H H 1 8.347 0.02 A 69 ALA HA H 1 4.889 0.02 A 69 ALA HB% H 1 1.490 0.02 A 69 ALA C C 13 176.937 0.10 A 69 ALA CA C 13 51.329 0.10 A 69 ALA CB C 13 19.210 0.10 A 69 ALA N N 15 122.342 0.10 A 70 ALA H H 1 8.468 0.02 A 70 ALA HA H 1 4.996 0.02 A 70 ALA HB% H 1 0.980 0.02 A 70 ALA C C 13 175.102 0.10 A 70 ALA CA C 13 50.876 0.10 A 70 ALA CB C 13 23.556 0.10 A 70 ALA N N 15 120.267 0.10 A 71 HIS H H 1 9.136 0.02 A 71 HIS HA H 1 5.343 0.02 A 71 HIS HB2 H 1 3.080 0.02 A 71 HIS HB3 H 1 2.980 0.02 A 71 HIS C C 13 174.002 0.10 A 71 HIS CA C 13 54.803 0.10 A 71 HIS CB C 13 32.322 0.10 A 71 HIS N N 15 119.360 0.10 A 72 VAL H H 1 8.557 0.02 A 72 VAL HA H 1 4.174 0.02 A 72 VAL HB H 1 1.390 0.02 A 72 VAL HG1% H 1 0.050 0.02 A 72 VAL HG2% H 1 -0.290 0.02 A 72 VAL C C 13 174.000 0.10 A 72 VAL CA C 13 61.587 0.10 A 72 VAL CB C 13 31.381 0.10 A 72 VAL CG1 C 13 19.900 0.10 A 72 VAL CG2 C 13 20.300 0.10 A 72 VAL N N 15 127.947 0.10 A 73 GLN H H 1 8.971 0.02 A 73 GLN HA H 1 5.019 0.02 A 73 GLN HB2 H 1 2.400 0.02 A 73 GLN HB3 H 1 1.960 0.02 A 73 GLN C C 13 173.260 0.10 A 73 GLN CA C 13 51.310 0.10 A 73 GLN CB C 13 30.955 0.10 A 73 GLN N N 15 127.985 0.10 A 74 PRO HA H 1 4.707 0.02 A 74 PRO HD3 H 1 3.990 0.02 A 74 PRO HG2 H 1 2.170 0.02 A 74 PRO HG3 H 1 2.030 0.02 A 74 PRO C C 13 3.820 0.10 A 74 PRO CA C 13 176.828 0.10 A 74 PRO CB C 13 62.215 0.10 A 74 PRO CG C 13 32.400 0.10 A 74 PRO N N 15 50.800 0.10 A 75 ILE H H 1 8.105 0.02 A 75 ILE HA H 1 4.074 0.02 A 75 ILE HB H 1 1.480 0.02 A 75 ILE HG12 H 1 0.790 0.02 A 75 ILE C C 13 175.881 0.10 A 75 ILE CA C 13 61.399 0.10 A 75 ILE CB C 13 38.214 0.10 A 75 ILE CG1 C 13 17.000 0.10 A 75 ILE N N 15 122.818 0.10 A 77 GLN HA H 1 4.267 0.02 A 77 GLN C C 13 176.255 0.10 A 77 GLN CA C 13 56.500 0.10 A 77 GLN CB C 13 29.100 0.10 A 78 GLU H H 1 8.458 0.02 A 78 GLU HA H 1 4.184 0.02 A 78 GLU HB2 H 1 1.890 0.02 A 78 GLU HG2 H 1 2.260 0.02 A 78 GLU C C 13 177.000 0.10 A 78 GLU CA C 13 57.400 0.10 A 78 GLU CB C 13 29.148 0.10 A 78 GLU CG C 13 35.900 0.10 A 78 GLU N N 15 120.627 0.10 A 79 GLU H H 1 8.283 0.02 A 79 GLU HA H 1 4.121 0.02 A 79 GLU HB2 H 1 1.890 0.02 A 79 GLU HG2 H 1 2.180 0.02 A 79 GLU C C 13 176.972 0.10 A 79 GLU CA C 13 57.106 0.10 A 79 GLU CB C 13 29.680 0.10 A 79 GLU CG C 13 36.000 0.10 A 79 GLU N N 15 119.997 0.10 A 80 TYR H H 1 7.961 0.02 A 80 TYR HA H 1 4.369 0.02 A 80 TYR HB2 H 1 2.940 0.02 A 80 TYR HD1 H 1 6.890 0.02 A 80 TYR C C 13 176.086 0.10 A 80 TYR CA C 13 58.284 0.10 A 80 TYR CB C 13 38.214 0.10 A 80 TYR N N 15 119.582 0.10 A 81 TYR H H 1 7.918 0.02 A 81 TYR HA H 1 4.399 0.02 A 81 TYR HB2 H 1 3.040 0.02 A 81 TYR HB3 H 1 2.970 0.02 A 81 TYR HD1 H 1 7.110 0.02 A 81 TYR C C 13 176.566 0.10 A 81 TYR CA C 13 58.479 0.10 A 81 TYR CB C 13 38.042 0.10 A 81 TYR N N 15 119.336 0.10 A 82 LYS HA H 1 4.090 0.02 A 82 LYS C C 13 176.894 0.10 A 82 LYS CA C 13 56.786 0.10 A 82 LYS CB C 13 32.306 0.10 A 83 ALA H H 1 7.999 0.02 A 83 ALA HA H 1 4.178 0.02 A 83 ALA HB% H 1 1.400 0.02 A 83 ALA C C 13 178.193 0.10 A 83 ALA CA C 13 52.825 0.10 A 83 ALA CB C 13 18.200 0.10 A 83 ALA N N 15 122.394 0.10 A 84 GLN H H 1 8.006 0.02 A 84 GLN HA H 1 4.167 0.02 A 84 GLN HB2 H 1 2.120 0.02 A 84 GLN HB3 H 1 2.000 0.02 A 84 GLN HG2 H 1 2.320 0.02 A 84 GLN C C 13 176.200 0.10 A 84 GLN CA C 13 56.016 0.10 A 84 GLN CB C 13 28.467 0.10 A 84 GLN CG C 13 33.300 0.10 A 84 GLN N N 15 116.623 0.10 A 85 GLN H H 1 8.085 0.02 A 85 GLN HA H 1 4.223 0.02 A 85 GLN HB2 H 1 2.120 0.02 A 85 GLN HB3 H 1 2.000 0.02 A 85 GLN HG2 H 1 2.290 0.02 A 85 GLN CA C 13 56.393 0.10 A 85 GLN CB C 13 28.600 0.10 A 85 GLN CG C 13 33.600 0.10 A 85 GLN N N 15 118.681 0.10 A 87 GLN HA H 1 4.268 0.02 A 87 GLN C C 13 175.517 0.10 A 87 GLN CA C 13 55.821 0.10 A 87 GLN CB C 13 28.296 0.10 A 88 THR H H 1 7.950 0.02 A 88 THR HA H 1 4.540 0.02 A 88 THR HB H 1 4.090 0.02 A 88 THR HG2% H 1 1.160 0.02 A 88 THR C C 13 172.445 0.10 A 88 THR CA C 13 59.184 0.10 A 88 THR CB C 13 69.534 0.10 A 88 THR CG2 C 13 20.500 0.10 A 88 THR N N 15 116.337 0.10 A 89 PRO HA H 1 4.410 0.02 A 89 PRO HB2 H 1 1.810 0.02 A 89 PRO HD3 H 1 3.760 0.02 A 89 PRO HG2 H 1 1.970 0.02 A 89 PRO C C 13 3.600 0.10 A 89 PRO CA C 13 176.508 0.10 A 89 PRO CB C 13 62.325 0.10 A 89 PRO CD C 13 26.900 0.10 A 89 PRO CG C 13 31.672 0.10 A 89 PRO N N 15 50.400 0.10 A 90 ILE H H 1 8.247 0.02 A 90 ILE HA H 1 3.993 0.02 A 90 ILE HB H 1 1.690 0.02 A 90 ILE HG2% H 1 0.640 0.02 A 90 ILE C C 13 175.132 0.10 A 90 ILE CA C 13 60.718 0.10 A 90 ILE CB C 13 38.277 0.10 A 90 ILE CG2 C 13 17.100 0.10 A 90 ILE N N 15 121.921 0.10 A 91 GLY H H 1 7.820 0.02 A 91 GLY HA2 H 1 4.550 0.02 A 91 GLY HA3 H 1 3.640 0.02 A 91 GLY C C 13 172.184 0.10 A 91 GLY CA C 13 43.575 0.10 A 91 GLY N N 15 110.987 0.10 A 92 TYR H H 1 8.593 0.02 A 92 TYR HA H 1 5.166 0.02 A 92 TYR HB2 H 1 2.540 0.02 A 92 TYR HB3 H 1 1.900 0.02 A 92 TYR HD1 H 1 6.450 0.02 A 92 TYR HE1 H 1 6.660 0.02 A 92 TYR C C 13 175.122 0.10 A 92 TYR CA C 13 56.544 0.10 A 92 TYR CB C 13 43.819 0.10 A 92 TYR CD1 C 13 132.400 0.10 A 92 TYR CE1 C 13 117.600 0.10 A 92 TYR N N 15 116.307 0.10 A 93 ASN H H 1 8.964 0.02 A 93 ASN HA H 1 5.116 0.02 A 93 ASN HB2 H 1 2.760 0.02 A 93 ASN HB3 H 1 2.060 0.02 A 93 ASN C C 13 173.457 0.10 A 93 ASN CA C 13 52.717 0.10 A 93 ASN CB C 13 40.420 0.10 A 93 ASN N N 15 119.232 0.10 A 94 ILE H H 1 9.013 0.02 A 94 ILE HA H 1 4.383 0.02 A 94 ILE C C 13 173.370 0.10 A 94 ILE CA C 13 60.231 0.10 A 94 ILE CB C 13 38.728 0.10 A 94 ILE N N 15 123.021 0.10 A 95 TYR H H 1 8.867 0.02 A 95 TYR HA H 1 5.279 0.02 A 95 TYR HB2 H 1 2.880 0.02 A 95 TYR HB3 H 1 2.670 0.02 A 95 TYR HD1 H 1 6.980 0.02 A 95 TYR HE1 H 1 6.690 0.02 A 95 TYR C C 13 174.262 0.10 A 95 TYR CA C 13 55.732 0.10 A 95 TYR CB C 13 39.723 0.10 A 95 TYR CD1 C 13 133.000 0.10 A 95 TYR CE1 C 13 117.400 0.10 A 95 TYR N N 15 125.343 0.10 A 96 THR H H 1 8.998 0.02 A 96 THR HA H 1 4.889 0.02 A 96 THR HB H 1 3.830 0.02 A 96 THR HG2% H 1 1.060 0.02 A 96 THR C C 13 172.708 0.10 A 96 THR CA C 13 58.248 0.10 A 96 THR CB C 13 73.097 0.10 A 96 THR CG2 C 13 17.600 0.10 A 96 THR N N 15 119.223 0.10 A 97 PRO HA H 1 4.410 0.02 A 97 PRO HD3 H 1 3.780 0.02 A 97 PRO C C 13 3.190 0.10 A 97 PRO CA C 13 175.250 0.10 A 97 PRO CB C 13 63.642 0.10 A 97 PRO CG C 13 31.126 0.10 A 97 PRO N N 15 51.700 0.10 A 98 TYR H H 1 7.826 0.02 A 98 TYR HA H 1 4.265 0.02 A 98 TYR HB2 H 1 2.440 0.02 A 98 TYR HB3 H 1 2.350 0.02 A 98 TYR HD1 H 1 6.840 0.02 A 98 TYR HE1 H 1 6.740 0.02 A 98 TYR C C 13 175.150 0.10 A 98 TYR CA C 13 59.434 0.10 A 98 TYR CB C 13 37.240 0.10 A 98 TYR CD1 C 13 132.900 0.10 A 98 TYR N N 15 122.118 0.10 A 99 ASP H H 1 5.931 0.02 A 99 ASP HA H 1 4.255 0.02 A 99 ASP HB2 H 1 2.310 0.02 A 99 ASP HB3 H 1 2.150 0.02 A 99 ASP C C 13 176.079 0.10 A 99 ASP CA C 13 52.885 0.10 A 99 ASP CB C 13 43.486 0.10 A 99 ASP N N 15 125.409 0.10 A 100 ASP H H 1 8.703 0.02 A 100 ASP HA H 1 4.058 0.02 A 100 ASP HB2 H 1 2.760 0.02 A 100 ASP HB3 H 1 2.620 0.02 A 100 ASP C C 13 176.300 0.10 A 100 ASP CA C 13 55.332 0.10 A 100 ASP CB C 13 40.206 0.10 A 100 ASP N N 15 128.295 0.10 A 101 ARG H H 1 8.832 0.02 A 101 ARG HA H 1 3.944 0.02 A 101 ARG HB2 H 1 1.340 0.02 A 101 ARG C C 13 177.624 0.10 A 101 ARG CA C 13 56.509 0.10 A 101 ARG CB C 13 31.162 0.10 A 101 ARG N N 15 117.507 0.10 A 102 ILE H H 1 7.004 0.02 A 102 ILE HA H 1 3.507 0.02 A 102 ILE HB H 1 1.650 0.02 A 102 ILE HG2% H 1 0.710 0.02 A 102 ILE C C 13 174.835 0.10 A 102 ILE CA C 13 63.638 0.10 A 102 ILE CB C 13 36.617 0.10 A 102 ILE CG2 C 13 16.500 0.10 A 102 ILE N N 15 116.003 0.10 A 103 ASP H H 1 8.026 0.02 A 103 ASP HA H 1 4.954 0.02 A 103 ASP HB2 H 1 2.770 0.02 A 103 ASP HB3 H 1 2.580 0.02 A 103 ASP C C 13 175.574 0.10 A 103 ASP CA C 13 52.485 0.10 A 103 ASP CB C 13 45.984 0.10 A 103 ASP N N 15 129.672 0.10 A 104 LYS H H 1 8.505 0.02 A 104 LYS C C 13 175.300 0.10 A 104 LYS CA C 13 58.027 0.10 A 104 LYS CB C 13 31.376 0.10 A 104 LYS N N 15 119.646 0.10 A 105 LYS H H 1 8.653 0.02 A 105 LYS HA H 1 4.513 0.02 A 105 LYS HB2 H 1 2.110 0.02 A 105 LYS HB3 H 1 1.900 0.02 A 105 LYS HG2 H 1 1.690 0.02 A 105 LYS C C 13 178.190 0.10 A 105 LYS CA C 13 56.415 0.10 A 105 LYS CB C 13 30.942 0.10 A 105 LYS CD C 13 27.000 0.10 A 105 LYS N N 15 118.554 0.10 A 106 MET H H 1 7.596 0.02 A 106 MET HA H 1 5.019 0.02 A 106 MET C C 13 172.309 0.10 A 106 MET CA C 13 56.500 0.10 A 106 MET CB C 13 34.892 0.10 A 106 MET N N 15 119.949 0.10 A 107 ARG H H 1 8.266 0.02 A 107 ARG HA H 1 4.075 0.02 A 107 ARG HB2 H 1 0.950 0.02 A 107 ARG C C 13 172.995 0.10 A 107 ARG CA C 13 53.348 0.10 A 107 ARG CB C 13 31.579 0.10 A 107 ARG N N 15 112.423 0.10 A 108 VAL H H 1 8.371 0.02 A 108 VAL HA H 1 4.954 0.02 A 108 VAL HB H 1 1.470 0.02 A 108 VAL HG1% H 1 0.330 0.02 A 108 VAL HG2% H 1 0.300 0.02 A 108 VAL C C 13 173.137 0.10 A 108 VAL CA C 13 58.400 0.10 A 108 VAL CB C 13 35.700 0.10 A 108 VAL CG1 C 13 22.300 0.10 A 108 VAL CG2 C 13 21.300 0.10 A 108 VAL N N 15 117.751 0.10 A 109 ILE H H 1 8.644 0.02 A 109 ILE HA H 1 4.772 0.02 A 109 ILE HB H 1 1.610 0.02 A 109 ILE HG2% H 1 0.480 0.02 A 109 ILE C C 13 176.377 0.10 A 109 ILE CA C 13 57.500 0.10 A 109 ILE CB C 13 35.550 0.10 A 109 ILE CG2 C 13 16.200 0.10 A 109 ILE N N 15 122.741 0.10 A 110 TYR H H 1 8.928 0.02 A 110 TYR HA H 1 4.873 0.02 A 110 TYR HB2 H 1 2.480 0.02 A 110 TYR HB3 H 1 2.270 0.02 A 110 TYR HD1 H 1 6.710 0.02 A 110 TYR HE1 H 1 6.580 0.02 A 110 TYR C C 13 173.400 0.10 A 110 TYR CA C 13 54.699 0.10 A 110 TYR CB C 13 40.392 0.10 A 110 TYR CD1 C 13 132.700 0.10 A 110 TYR CE1 C 13 117.900 0.10 A 110 TYR N N 15 129.091 0.10 A 111 ARG H H 1 9.206 0.02 A 111 ARG HA H 1 3.537 0.02 A 111 ARG HB2 H 1 1.560 0.02 A 111 ARG HB3 H 1 1.010 0.02 A 111 ARG HD2 H 1 2.860 0.02 A 111 ARG HD3 H 1 2.770 0.02 A 111 ARG C C 13 176.065 0.10 A 111 ARG CA C 13 56.490 0.10 A 111 ARG CB C 13 27.448 0.10 A 111 ARG N N 15 126.774 0.10 A 112 GLY H H 1 8.155 0.02 A 112 GLY HA2 H 1 4.040 0.02 A 112 GLY HA3 H 1 3.540 0.02 A 112 GLY C C 13 173.810 0.10 A 112 GLY CA C 13 45.284 0.10 A 112 GLY N N 15 102.172 0.10 A 113 LYS HA H 1 3.910 0.02 A 113 LYS C C 13 174.750 0.10 A 113 LYS CA C 13 53.808 0.10 A 113 LYS CB C 13 33.298 0.10 A 114 ILE H H 1 8.484 0.02 A 114 ILE HA H 1 3.860 0.02 A 114 ILE HB H 1 1.350 0.02 A 114 ILE HG2% H 1 0.460 0.02 A 114 ILE C C 13 174.732 0.10 A 114 ILE CA C 13 61.130 0.10 A 114 ILE CB C 13 37.740 0.10 A 114 ILE CG2 C 13 17.600 0.10 A 114 ILE N N 15 121.186 0.10 A 115 VAL H H 1 9.395 0.02 A 115 VAL HA H 1 4.645 0.02 A 115 VAL HB H 1 1.760 0.02 A 115 VAL HG1% H 1 0.580 0.02 A 115 VAL C C 13 174.934 0.10 A 115 VAL CA C 13 60.401 0.10 A 115 VAL CB C 13 32.142 0.10 A 115 VAL CG1 C 13 20.700 0.10 A 115 VAL N N 15 129.212 0.10 A 116 THR H H 1 8.661 0.02 A 116 THR HA H 1 4.483 0.02 A 116 THR HB H 1 4.020 0.02 A 116 THR HG2% H 1 1.090 0.02 A 116 THR C C 13 175.000 0.10 A 116 THR CA C 13 59.911 0.10 A 116 THR CB C 13 69.844 0.10 A 116 THR CG2 C 13 21.800 0.10 A 116 THR N N 15 120.129 0.10 A 117 PHE H H 1 9.153 0.02 A 117 PHE HA H 1 5.003 0.02 A 117 PHE HB2 H 1 3.350 0.02 A 117 PHE C C 13 177.126 0.10 A 117 PHE CA C 13 55.003 0.10 A 117 PHE CB C 13 37.018 0.10 A 117 PHE N N 15 123.251 0.10 A 118 ILE H H 1 8.882 0.02 A 118 ILE HA H 1 4.320 0.02 A 118 ILE HB H 1 1.690 0.02 A 118 ILE HD1% H 1 0.710 0.02 A 118 ILE HG12 H 1 1.310 0.02 A 118 ILE HG2% H 1 0.830 0.02 A 118 ILE C C 13 175.958 0.10 A 118 ILE CA C 13 60.275 0.10 A 118 ILE CB C 13 37.057 0.10 A 118 ILE CD1 C 13 12.900 0.10 A 118 ILE CG2 C 13 16.900 0.10 A 118 ILE N N 15 122.450 0.10 A 119 GLY H H 1 8.198 0.02 A 119 GLY HA2 H 1 4.050 0.02 A 119 GLY HA3 H 1 3.900 0.02 A 119 GLY C C 13 172.376 0.10 A 119 GLY CA C 13 44.033 0.10 A 119 GLY N N 15 112.995 0.10 A 120 ASP H H 1 8.132 0.02 A 120 ASP HA H 1 4.938 0.02 A 120 ASP HB2 H 1 2.690 0.02 A 120 ASP HB3 H 1 2.400 0.02 A 120 ASP C C 13 175.418 0.10 A 120 ASP CA C 13 52.656 0.10 A 120 ASP CB C 13 40.163 0.10 A 120 ASP N N 15 119.130 0.10 A 121 PRO HA H 1 4.470 0.02 A 121 PRO HD3 H 1 3.800 0.02 A 121 PRO HG2 H 1 1.910 0.02 A 121 PRO HG3 H 1 1.550 0.02 A 121 PRO CA C 13 175.750 0.10 A 121 PRO CB C 13 62.414 0.10 A 121 PRO CD C 13 27.000 0.10 A 121 PRO CG C 13 30.431 0.10 A 121 PRO N N 15 49.700 0.10 A 122 VAL H H 1 8.707 0.02 A 122 VAL HA H 1 4.400 0.02 A 122 VAL HB H 1 2.000 0.02 A 122 VAL HG1% H 1 1.020 0.02 A 122 VAL HG2% H 1 0.940 0.02 A 122 VAL C C 13 174.250 0.10 A 122 VAL CA C 13 60.598 0.10 A 122 VAL CB C 13 34.847 0.10 A 122 VAL CG1 C 13 20.900 0.10 A 122 VAL CG2 C 13 20.600 0.10 A 122 VAL N N 15 121.987 0.10 A 123 ASP H H 1 8.437 0.02 A 123 ASP HA H 1 5.068 0.02 A 123 ASP HB2 H 1 2.860 0.02 A 123 ASP HB3 H 1 2.700 0.02 A 123 ASP C C 13 177.435 0.10 A 123 ASP CA C 13 52.751 0.10 A 123 ASP CB C 13 40.191 0.10 A 123 ASP N N 15 125.856 0.10 A 124 LEU H H 1 8.793 0.02 A 124 LEU HA H 1 4.047 0.02 A 124 LEU CA C 13 56.836 0.10 A 124 LEU CB C 13 41.301 0.10 A 124 LEU N N 15 128.178 0.10 A 125 SER H H 1 8.927 0.02 A 125 SER HA H 1 4.287 0.02 A 125 SER C C 13 173.984 0.10 A 125 SER CA C 13 58.498 0.10 A 125 SER CB C 13 63.600 0.10 A 125 SER N N 15 115.226 0.10 A 126 GLY H H 1 8.250 0.02 A 126 GLY HA2 H 1 3.950 0.02 A 126 GLY HA3 H 1 3.670 0.02 A 126 GLY C C 13 174.700 0.10 A 126 GLY CA C 13 45.900 0.10 A 126 GLY N N 15 109.395 0.10 A 128 GLN C C 13 174.459 0.10 A 128 GLN CA C 13 56.434 0.10 A 128 GLN CB C 13 25.491 0.10 A 129 GLU H H 1 8.474 0.02 A 129 GLU HA H 1 4.596 0.02 A 129 GLU HB2 H 1 2.110 0.02 A 129 GLU HB3 H 1 1.900 0.02 A 129 GLU HG2 H 1 2.250 0.02 A 129 GLU C C 13 177.559 0.10 A 129 GLU CA C 13 57.183 0.10 A 129 GLU CB C 13 31.432 0.10 A 129 GLU N N 15 115.145 0.10 A 130 ILE H H 1 9.393 0.02 A 130 ILE HA H 1 4.660 0.02 A 130 ILE HB H 1 1.830 0.02 A 130 ILE HG2% H 1 1.030 0.02 A 130 ILE C C 13 173.821 0.10 A 130 ILE CA C 13 59.481 0.10 A 130 ILE CB C 13 41.386 0.10 A 130 ILE N N 15 124.603 0.10 A 131 THR H H 1 9.341 0.02 A 131 THR HA H 1 5.135 0.02 A 131 THR HB H 1 3.590 0.02 A 131 THR HG2% H 1 0.980 0.02 A 131 THR C C 13 172.742 0.10 A 131 THR CA C 13 62.458 0.10 A 131 THR CB C 13 69.995 0.10 A 131 THR CG2 C 13 22.200 0.10 A 131 THR N N 15 125.280 0.10 A 132 ARG H H 1 9.286 0.02 A 132 ARG HA H 1 5.263 0.02 A 132 ARG HB2 H 1 1.710 0.02 A 132 ARG HB3 H 1 1.360 0.02 A 132 ARG HD2 H 1 2.930 0.02 A 132 ARG HG2 H 1 0.950 0.02 A 132 ARG HG3 H 1 0.830 0.02 A 132 ARG C C 13 175.462 0.10 A 132 ARG CA C 13 53.122 0.10 A 132 ARG CB C 13 32.555 0.10 A 132 ARG N N 15 126.525 0.10 A 133 ILE H H 1 9.338 0.02 A 133 ILE HA H 1 3.959 0.02 A 133 ILE HB H 1 1.040 0.02 A 133 ILE HD1% H 1 0.310 0.02 A 133 ILE HG12 H 1 0.510 0.02 A 133 ILE HG2% H 1 -0.120 0.02 A 133 ILE C C 13 173.860 0.10 A 133 ILE CA C 13 59.719 0.10 A 133 ILE CB C 13 41.429 0.10 A 133 ILE CG1 C 13 14.500 0.10 A 133 ILE CG2 C 13 16.500 0.10 A 133 ILE N N 15 129.483 0.10 A 134 LYS H H 1 8.457 0.02 A 134 LYS HA H 1 4.990 0.02 A 134 LYS C C 13 175.750 0.10 A 134 LYS CA C 13 54.548 0.10 A 134 LYS CB C 13 32.800 0.10 A 134 LYS N N 15 128.506 0.10 A 135 GLY H H 1 8.968 0.02 A 135 GLY HA2 H 1 5.350 0.02 A 135 GLY HA3 H 1 3.290 0.02 A 135 GLY C C 13 171.558 0.10 A 135 GLY CA C 13 44.286 0.10 A 135 GLY N N 15 110.167 0.10 A 136 LYS H H 1 9.158 0.02 A 136 LYS C C 13 174.516 0.10 A 136 LYS CA C 13 53.781 0.10 A 136 LYS CB C 13 34.807 0.10 A 136 LYS N N 15 119.838 0.10 A 137 GLU H H 1 8.711 0.02 A 137 GLU HA H 1 4.709 0.02 A 137 GLU C C 13 176.875 0.10 A 137 GLU CA C 13 56.833 0.10 A 137 GLU CB C 13 30.640 0.10 A 137 GLU N N 15 124.293 0.10 A 138 ASP H H 1 9.334 0.02 A 138 ASP HA H 1 4.954 0.02 A 138 ASP HB2 H 1 2.650 0.02 A 138 ASP HB3 H 1 2.180 0.02 A 138 ASP C C 13 175.340 0.10 A 138 ASP CA C 13 53.107 0.10 A 138 ASP CB C 13 42.374 0.10 A 138 ASP N N 15 127.542 0.10 A 139 GLY H H 1 7.732 0.02 A 139 GLY HA2 H 1 4.360 0.02 A 139 GLY HA3 H 1 3.800 0.02 A 139 GLY C C 13 172.374 0.10 A 139 GLY CA C 13 43.800 0.10 A 139 GLY N N 15 106.466 0.10 A 140 ALA H H 1 8.191 0.02 A 140 ALA HA H 1 4.564 0.02 A 140 ALA HB% H 1 1.350 0.02 A 140 ALA C C 13 177.004 0.10 A 140 ALA CA C 13 51.406 0.10 A 140 ALA CB C 13 19.500 0.10 A 140 ALA N N 15 120.674 0.10 A 141 TYR H H 1 8.458 0.02 A 141 TYR HA H 1 4.578 0.02 A 141 TYR HB2 H 1 2.570 0.02 A 141 TYR HD1 H 1 6.930 0.02 A 141 TYR HE1 H 1 6.760 0.02 A 141 TYR C C 13 174.746 0.10 A 141 TYR CA C 13 56.554 0.10 A 141 TYR CB C 13 38.649 0.10 A 141 TYR CD1 C 13 133.100 0.10 A 141 TYR CE1 C 13 117.900 0.10 A 141 TYR N N 15 121.312 0.10 A 142 VAL H H 1 7.941 0.02 A 142 VAL HA H 1 4.008 0.02 A 142 VAL HB H 1 2.020 0.02 A 142 VAL HG1% H 1 0.790 0.02 A 142 VAL HG2% H 1 0.760 0.02 A 142 VAL C C 13 174.701 0.10 A 142 VAL CA C 13 60.912 0.10 A 142 VAL CB C 13 32.065 0.10 A 142 VAL CG1 C 13 20.700 0.10 A 142 VAL CG2 C 13 19.100 0.10 A 142 VAL N N 15 125.257 0.10 A 143 GLY H H 1 6.826 0.02 A 143 GLY HA2 H 1 3.610 0.02 A 143 GLY HA3 H 1 3.470 0.02 A 143 GLY C C 13 178.505 0.10 A 143 GLY CA C 13 45.440 0.10 A 143 GLY N N 15 116.746 0.10 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 41 ASP H A 41 ASP HA 1.0 1.8 4.8 2 2 A 42 VAL H A 42 VAL HA 1.0 1.8 4.8 3 3 A 41 ASP HA A 42 VAL H 1.0 2.0 5.0 4 4 A 41 ASP H A 41 ASP HB2 1.0 1.8 4.8 5 4 A 41 ASP H A 41 ASP HBy 1.0 1.8 4.8 6 5 A 42 VAL H A 41 ASP HB2 1.0 2.0 5.0 7 5 A 42 VAL H A 41 ASP HBy 1.0 2.0 5.0 8 6 A 42 VAL H A 42 VAL HB 1.0 1.8 4.8 9 7 A 42 VAL H A 42 VAL HG1% 1.0 1.8 4.8 10 8 A 42 VAL H A 42 VAL HG2% 1.0 1.8 4.8 11 9 A 42 VAL HB A 42 VAL HG1% 1.0 1.8 4.8 12 10 A 42 VAL HB A 42 VAL HG1% 1.0 1.8 4.8 13 11 A 43 ILE H A 43 ILE HA 1.0 1.8 4.8 14 12 A 42 VAL HA A 43 ILE H 1.0 2.0 5.0 15 13 A 42 VAL HG2% A 43 ILE H 1.0 2.0 5.0 16 14 A 42 VAL HG1% A 43 ILE H 1.0 2.0 5.0 17 15 A 43 ILE HA A 44 THR H 1.0 2.0 5.0 18 16 A 44 THR H A 44 THR HA 1.0 1.8 4.8 19 17 A 44 THR H A 44 THR HG2% 1.0 1.8 4.8 20 17 A 44 THR H A 44 THR HG1 1.0 1.8 4.8 21 18 A 44 THR H A 44 THR HB 1.0 1.8 4.8 22 19 A 44 THR HB A 44 THR HG2% 1.0 1.8 4.8 23 19 A 44 THR HG1 A 44 THR HB 1.0 1.8 4.8 24 20 A 44 THR HA A 44 THR HG2% 1.0 1.8 4.8 25 20 A 44 THR HA A 44 THR HG1 1.0 1.8 4.8 26 21 A 44 THR H A 44 THR HG2% 1.0 1.8 4.8 27 21 A 44 THR H A 44 THR HG1 1.0 1.8 4.8 28 22 A 44 THR HB A 44 THR HG2% 1.0 1.8 4.8 29 22 A 44 THR HG1 A 44 THR HB 1.0 1.8 4.8 30 23 A 45 PHE H A 45 PHE HA 1.0 1.8 4.8 31 24 A 44 THR HA A 45 PHE H 1.0 2.0 5.0 32 25 A 45 PHE H A 44 THR HG2% 1.0 2.0 5.0 33 25 A 44 THR HG1 A 45 PHE H 1.0 2.0 5.0 34 26 A 46 GLN H A 46 GLN HA 1.0 1.8 4.8 35 27 A 45 PHE HA A 46 GLN H 1.0 2.0 5.0 36 28 A 46 GLN HA A 47 SER H 1.0 2.0 5.0 37 29 A 47 SER H A 47 SER HA 1.0 1.8 4.8 38 30 A 47 SER H A 47 SER HB2 1.0 1.8 4.8 39 30 A 47 SER H A 47 SER HBy 1.0 1.8 4.8 40 31 A 47 SER HA A 48 TYR H 1.0 2.0 5.0 41 32 A 48 TYR H A 48 TYR HA 1.0 1.8 4.8 42 33 A 48 TYR H A 48 TYR HB2 1.0 1.8 4.8 43 34 A 48 TYR H A 47 SER HB2 1.0 2.0 5.0 44 34 A 47 SER HBy A 48 TYR H 1.0 2.0 5.0 45 35 A 48 TYR HD% A 48 TYR HB3 1.0 1.8 4.8 46 36 A 48 TYR HA A 48 TYR HD% 1.0 1.8 4.8 47 37 A 48 TYR HD% A 48 TYR HE% 1.0 1.8 4.8 48 38 A 48 TYR H A 48 TYR HD% 1.0 1.8 4.8 49 39 A 62 TRP H A 62 TRP HA 1.0 1.8 4.8 50 40 A 62 TRP H A 62 TRP HB2 1.0 1.8 4.8 51 41 A 62 TRP H A 62 TRP HB3 1.0 1.8 4.8 52 42 A 62 TRP HB2 A 62 TRP HD1 1.0 1.8 4.8 53 43 A 62 TRP HB3 A 62 TRP HD1 1.0 1.8 4.8 54 44 A 62 TRP HD1 A 62 TRP HE1 1.0 1.8 4.8 55 45 A 62 TRP HE1 A 62 TRP HZ2 1.0 1.8 4.8 56 46 A 62 TRP HA A 63 VAL H 1.0 2.0 5.0 57 47 A 63 VAL H A 63 VAL HG1% 1.0 1.8 4.8 58 47 A 63 VAL H A 63 VAL HG2% 1.0 1.8 4.8 59 48 A 63 VAL H A 63 VAL HB 1.0 1.8 4.8 60 49 A 63 VAL HB A 63 VAL HG1% 1.0 1.8 4.8 61 49 A 63 VAL HG2% A 63 VAL HB 1.0 1.8 4.8 62 50 A 63 VAL HB A 64 ASP H 1.0 2.0 5.0 63 51 A 65 GLU H A 64 ASP HA 1.0 2.0 5.0 64 52 A 65 GLU H A 65 GLU HA 1.0 1.8 4.8 65 53 A 66 PHE H A 66 PHE HA 1.0 1.8 4.8 66 54 A 65 GLU HA A 66 PHE H 1.0 2.0 5.0 67 55 A 66 PHE H A 65 GLU HB2 1.0 2.0 5.0 68 55 A 66 PHE H A 65 GLU HB3 1.0 2.0 5.0 69 56 A 66 PHE H A 65 GLU HG2 1.0 2.0 5.0 70 56 A 66 PHE H A 65 GLU HGy 1.0 2.0 5.0 71 57 A 66 PHE H A 66 PHE HE% 1.0 1.8 4.8 72 58 A 66 PHE HE% A 66 PHE HZ 1.0 1.8 4.8 73 59 A 66 PHE HZ A 66 PHE HD% 1.0 1.8 4.8 74 60 A 66 PHE HE% A 66 PHE HD% 1.0 1.8 4.8 75 61 A 66 PHE HZ A 65 GLU HB2 1.0 2.0 5.0 76 61 A 65 GLU HB3 A 66 PHE HZ 1.0 2.0 5.0 77 62 A 66 PHE HZ A 65 GLU HG2 1.0 2.0 5.0 78 62 A 65 GLU HGy A 66 PHE HZ 1.0 2.0 5.0 79 63 A 67 THR H A 67 THR HA 1.0 1.8 4.8 80 64 A 66 PHE HA A 67 THR H 1.0 2.0 5.0 81 65 A 67 THR H A 67 THR HB 1.0 1.8 4.8 82 66 A 67 THR H A 67 THR HG2% 1.0 1.8 4.8 83 66 A 67 THR H A 67 THR HG1 1.0 1.8 4.8 84 67 A 67 THR H A 67 THR HG2% 1.0 1.8 4.8 85 67 A 67 THR H A 67 THR HG1 1.0 1.8 4.8 86 68 A 67 THR HA A 67 THR HG2% 1.0 1.8 4.8 87 68 A 67 THR HA A 67 THR HG1 1.0 1.8 4.8 88 69 A 67 THR HB A 67 THR HG2% 1.0 1.8 4.8 89 69 A 67 THR HB A 67 THR HG1 1.0 1.8 4.8 90 70 A 68 ALA H A 68 ALA HA 1.0 1.8 4.8 91 71 A 67 THR HA A 68 ALA H 1.0 2.0 5.0 92 72 A 67 THR HB A 68 ALA H 1.0 2.0 5.0 93 73 A 68 ALA H A 68 ALA HB% 1.0 1.8 4.8 94 74 A 68 ALA HA A 69 ALA H 1.0 2.0 5.0 95 75 A 69 ALA H A 69 ALA HA 1.0 1.8 4.8 96 76 A 69 ALA H A 69 ALA HB% 1.0 1.8 4.8 97 77 A 69 ALA HB% A 70 ALA H 1.0 2.0 5.0 98 78 A 70 ALA H A 70 ALA HA 1.0 1.8 4.8 99 79 A 69 ALA HA A 70 ALA H 1.0 2.0 5.0 100 80 A 70 ALA H A 70 ALA HB% 1.0 1.8 4.8 101 81 A 70 ALA HA A 71 HIS H 1.0 2.0 5.0 102 82 A 71 HIS H A 71 HIS HA 1.0 1.8 4.8 103 83 A 70 ALA HB% A 71 HIS H 1.0 2.0 5.0 104 84 A 71 HIS H A 71 HIS HB2 1.0 1.8 4.8 105 85 A 71 HIS H A 71 HIS HB3 1.0 1.8 4.8 106 86 A 71 HIS HA A 72 VAL H 1.0 2.0 5.0 107 87 A 72 VAL H A 72 VAL HA 1.0 1.8 4.8 108 88 A 72 VAL H A 72 VAL HG1% 1.0 1.8 4.8 109 89 A 72 VAL H A 72 VAL HG2% 1.0 1.8 4.8 110 90 A 72 VAL H A 72 VAL HB 1.0 1.8 4.8 111 91 A 73 GLN H A 72 VAL HG1% 1.0 2.0 5.0 112 92 A 73 GLN H A 72 VAL HG2% 1.0 2.0 5.0 113 93 A 73 GLN H A 73 GLN HB2 1.0 1.8 4.8 114 93 A 73 GLN H A 73 GLN HB3 1.0 1.8 4.8 115 94 A 72 VAL HA A 73 GLN H 1.0 2.0 5.0 116 95 A 73 GLN H A 73 GLN HA 1.0 1.8 4.8 117 96 A 90 ILE H A 90 ILE HA 1.0 1.8 4.8 118 97 A 90 ILE H A 90 ILE HB 1.0 1.8 4.8 119 98 A 90 ILE H A 90 ILE HG2% 1.0 1.8 4.8 120 98 A 90 ILE H A 90 ILE HG1x 1.0 1.8 4.8 121 98 A 90 ILE H A 90 ILE HG1y 1.0 1.8 4.8 122 99 A 90 ILE H A 90 ILE HD11 1.0 1.8 4.8 123 100 A 90 ILE HA A 90 ILE HG1x 1.0 1.8 4.8 124 100 A 90 ILE HA A 90 ILE HG1y 1.0 1.8 4.8 125 100 A 90 ILE HA A 90 ILE HG2% 1.0 1.8 4.8 126 101 A 90 ILE HB A 90 ILE HD11 1.0 1.8 4.8 127 102 A 90 ILE HD11 A 90 ILE HG2% 1.0 1.8 4.8 128 102 A 90 ILE HD11 A 90 ILE HG1x 1.0 1.8 4.8 129 102 A 90 ILE HG1y A 90 ILE HD11 1.0 1.8 4.8 130 103 A 91 GLY H A 91 GLY HA2 1.0 1.8 4.8 131 104 A 90 ILE HA A 91 GLY H 1.0 2.0 5.0 132 105 A 91 GLY H A 91 GLY HA3 1.0 1.8 4.8 133 106 A 91 GLY HA3 A 92 TYR H 1.0 2.0 5.0 134 107 A 91 GLY HA3 A 92 TYR H 1.0 2.0 5.0 135 108 A 92 TYR H A 92 TYR HA 1.0 1.8 4.8 136 109 A 92 TYR H A 92 TYR HD% 1.0 1.8 4.8 137 110 A 93 ASN H A 93 ASN HA 1.0 1.8 4.8 138 111 A 93 ASN H A 93 ASN HB3 1.0 1.8 4.8 139 111 A 93 ASN H A 93 ASN HB2 1.0 1.8 4.8 140 112 A 94 ILE H A 93 ASN HB3 1.0 2.0 5.0 141 112 A 93 ASN HB2 A 94 ILE H 1.0 2.0 5.0 142 113 A 92 TYR HA A 93 ASN H 1.0 2.0 5.0 143 114 A 94 ILE H A 94 ILE HA 1.0 1.8 4.8 144 115 A 94 ILE H A 94 ILE HD11 1.0 1.8 4.8 145 116 A 94 ILE H A 94 ILE HB 1.0 1.8 4.8 146 117 A 94 ILE HD11 A 94 ILE HB 1.0 1.8 4.8 147 118 A 94 ILE HD11 A 94 ILE HB 1.0 1.8 4.8 148 119 A 94 ILE HA A 94 ILE HD11 1.0 1.8 4.8 149 120 A 93 ASN HA A 94 ILE H 1.0 2.0 5.0 150 121 A 95 TYR H A 95 TYR HA 1.0 1.8 4.8 151 122 A 94 ILE HA A 95 TYR H 1.0 2.0 5.0 152 123 A 94 ILE HD11 A 95 TYR H 1.0 2.0 5.0 153 124 A 95 TYR H A 95 TYR HB3 1.0 1.8 4.8 154 125 A 95 TYR HB3 A 96 THR H 1.0 2.0 5.0 155 126 A 95 TYR H A 95 TYR HB2 1.0 1.8 4.8 156 127 A 96 THR H A 96 THR HA 1.0 1.8 4.8 157 128 A 95 TYR HB3 A 95 TYR HD% 1.0 1.8 4.8 158 129 A 95 TYR HB2 A 95 TYR HD% 1.0 1.8 4.8 159 130 A 95 TYR HB3 A 95 TYR HE% 1.0 1.8 4.8 160 131 A 95 TYR HB2 A 95 TYR HE% 1.0 1.8 4.8 161 132 A 95 TYR HA A 95 TYR HD% 1.0 1.8 4.8 162 133 A 95 TYR HD% A 95 TYR HE% 1.0 1.8 4.8 163 134 A 95 TYR H A 95 TYR HD% 1.0 1.8 4.8 164 135 A 93 ASN H A 92 TYR HE% 1.0 2.0 5.0 165 136 A 96 THR H A 96 THR HB 1.0 1.8 4.8 166 137 A 96 THR HB A 96 THR HG1 1.0 1.8 4.8 167 137 A 96 THR HB A 96 THR HG2% 1.0 1.8 4.8 168 138 A 96 THR HA A 96 THR HG1 1.0 1.8 4.8 169 138 A 96 THR HA A 96 THR HG2% 1.0 1.8 4.8 170 139 A 96 THR H A 96 THR HG2% 1.0 1.8 4.8 171 139 A 96 THR H A 96 THR HG1 1.0 1.8 4.8 172 140 A 98 TYR H A 98 TYR HA 1.0 1.8 4.8 173 141 A 98 TYR H A 97 PRO HA 1.0 2.0 5.0 174 142 A 98 TYR H A 98 TYR HB3 1.0 1.8 4.8 175 143 A 98 TYR H A 98 TYR HB2 1.0 1.8 4.8 176 144 A 98 TYR H A 98 TYR HD% 1.0 1.8 4.8 177 145 A 98 TYR HD% A 98 TYR HE% 1.0 1.8 4.8 178 146 A 98 TYR HD% A 98 TYR HE% 1.0 1.8 4.8 179 147 A 98 TYR HA A 98 TYR HE% 1.0 1.8 4.8 180 148 A 98 TYR HA A 98 TYR HD% 1.0 1.8 4.8 181 149 A 98 TYR HB3 A 98 TYR HD% 1.0 1.8 4.8 182 150 A 98 TYR HB2 A 98 TYR HD% 1.0 1.8 4.8 183 151 A 99 ASP H A 99 ASP HA 1.0 1.8 4.8 184 152 A 99 ASP H A 99 ASP HB3 1.0 1.8 4.8 185 153 A 99 ASP H A 99 ASP HB2 1.0 1.8 4.8 186 154 A 98 TYR HB2 A 99 ASP H 1.0 2.0 5.0 187 155 A 116 THR H A 116 THR HB 1.0 1.8 4.8 188 156 A 72 VAL HA A 72 VAL HG1% 1.0 1.8 4.8 189 156 A 72 VAL HA A 72 VAL HG2% 1.0 1.8 4.8 190 157 A 72 VAL HA A 72 VAL HG1% 1.0 1.8 4.8 191 157 A 72 VAL HA A 72 VAL HG2% 1.0 1.8 4.8 192 158 A 72 VAL H A 72 VAL HG1% 1.0 1.8 4.8 193 158 A 72 VAL H A 72 VAL HG2% 1.0 1.8 4.8 194 159 A 72 VAL HB A 72 VAL HG1% 1.0 1.8 4.8 195 159 A 72 VAL HB A 72 VAL HG2% 1.0 1.8 4.8 196 160 A 72 VAL HB A 72 VAL HG1% 1.0 1.8 4.8 197 160 A 72 VAL HB A 72 VAL HG2% 1.0 1.8 4.8 198 161 A 70 ALA H A 70 ALA HB% 1.0 1.8 4.8 199 162 A 70 ALA HA A 70 ALA HB% 1.0 1.8 4.8 200 163 A 98 TYR HD% A 99 ASP H 1.0 2.0 5.0 201 164 A 107 ARG H A 107 ARG HA 1.0 1.8 4.8 202 165 A 107 ARG H A 106 MET HA 1.0 2.0 5.0 203 166 A 106 MET HA A 106 MET H 1.0 1.8 4.8 204 167 A 106 MET H A 106 MET HBx 1.0 1.8 4.8 205 167 A 106 MET H A 106 MET HBy 1.0 1.8 4.8 206 168 A 106 MET H A 106 MET HGx 1.0 1.8 4.8 207 168 A 106 MET H A 106 MET HGy 1.0 1.8 4.8 208 168 A 106 MET H A 106 MET HE1 1.0 1.8 4.8 209 169 A 106 MET H A 105 LYS HA 1.0 2.0 5.0 210 170 A 105 LYS HA A 105 LYS H 1.0 1.8 4.8 211 171 A 105 LYS H A 105 LYS HDx 1.0 1.8 4.8 212 171 A 105 LYS H A 105 LYS HG2 1.0 1.8 4.8 213 171 A 105 LYS H A 105 LYS HGy 1.0 1.8 4.8 214 171 A 105 LYS H A 105 LYS HDy 1.0 1.8 4.8 215 172 A 105 LYS H A 105 LYS HB2 1.0 1.8 4.8 216 172 A 105 LYS H A 105 LYS HB3 1.0 1.8 4.8 217 173 A 105 LYS H A 105 LYS HDx 1.0 1.8 4.8 218 173 A 105 LYS H A 105 LYS HG2 1.0 1.8 4.8 219 173 A 105 LYS H A 105 LYS HGy 1.0 1.8 4.8 220 173 A 105 LYS H A 105 LYS HDy 1.0 1.8 4.8 221 174 A 105 LYS H A 105 LYS HDx 1.0 1.8 4.8 222 174 A 105 LYS H A 105 LYS HG2 1.0 1.8 4.8 223 174 A 105 LYS H A 105 LYS HGy 1.0 1.8 4.8 224 174 A 105 LYS H A 105 LYS HDy 1.0 1.8 4.8 225 175 A 106 MET H A 105 LYS H 1.0 2.0 5.0 226 176 A 107 ARG H A 106 MET H 1.0 2.0 5.0 227 177 A 105 LYS H A 104 LYS H 1.0 2.0 5.0 228 178 A 104 LYS H A 104 LYS HA 1.0 1.8 4.8 229 179 A 104 LYS H A 103 ASP HA 1.0 2.0 5.0 230 180 A 102 ILE H A 102 ILE HA 1.0 1.8 4.8 231 181 A 102 ILE HA A 103 ASP H 1.0 2.0 5.0 232 182 A 103 ASP HA A 103 ASP H 1.0 1.8 4.8 233 183 A 103 ASP H A 103 ASP HB3 1.0 1.8 4.8 234 184 A 103 ASP H A 103 ASP HB2 1.0 1.8 4.8 235 185 A 104 LYS H A 104 LYS HBy 1.0 1.8 4.8 236 186 A 104 LYS H A 104 LYS HBx 1.0 1.8 4.8 237 187 A 102 ILE H A 102 ILE HB 1.0 1.8 4.8 238 188 A 102 ILE H A 103 ASP H 1.0 2.0 5.0 239 189 A 102 ILE H A 101 ARG H 1.0 2.0 5.0 240 190 A 102 ILE H A 101 ARG H 1.0 2.0 5.0 241 191 A 101 ARG H A 101 ARG HA 1.0 1.8 4.8 242 192 A 102 ILE H A 101 ARG HA 1.0 2.0 5.0 243 193 A 45 PHE H A 45 PHE HBx 1.0 1.8 4.8 244 194 A 102 ILE H A 101 ARG HGx 1.0 2.0 5.0 245 194 A 102 ILE H A 101 ARG HGy 1.0 2.0 5.0 246 195 A 102 ILE H A 101 ARG HBy 1.0 2.0 5.0 247 196 A 101 ARG H A 100 ASP HA 1.0 2.0 5.0 248 197 A 101 ARG H A 100 ASP H 1.0 2.0 5.0 249 198 A 100 ASP HA A 100 ASP HB3 1.0 1.8 4.8 250 199 A 100 ASP HA A 100 ASP HB2 1.0 1.8 4.8 251 200 A 107 ARG H A 106 MET HBx 1.0 2.0 5.0 252 200 A 107 ARG H A 106 MET HBy 1.0 2.0 5.0 253 201 A 107 ARG H A 106 MET HGx 1.0 2.0 5.0 254 201 A 107 ARG H A 106 MET HGy 1.0 2.0 5.0 255 201 A 107 ARG H A 106 MET HE1 1.0 2.0 5.0 256 202 A 107 ARG HA A 108 VAL H 1.0 2.0 5.0 257 203 A 108 VAL H A 108 VAL HA 1.0 1.8 4.8 258 204 A 108 VAL H A 108 VAL HG1% 1.0 1.8 4.8 259 204 A 108 VAL H A 108 VAL HG2% 1.0 1.8 4.8 260 205 A 108 VAL HB A 108 VAL HG1% 1.0 1.8 4.8 261 205 A 108 VAL HG2% A 108 VAL HB 1.0 1.8 4.8 262 206 A 108 VAL HB A 108 VAL HG1% 1.0 1.8 4.8 263 207 A 108 VAL HG2% A 108 VAL HB 1.0 1.8 4.8 264 208 A 108 VAL HA A 108 VAL HG1% 1.0 1.8 4.8 265 209 A 108 VAL HA A 108 VAL HG2% 1.0 1.8 4.8 266 210 A 108 VAL HA A 108 VAL HB 1.0 1.8 4.8 267 211 A 69 ALA HA A 69 ALA HB% 1.0 1.8 4.8 268 212 A 108 VAL H A 109 ILE H 1.0 2.0 5.0 269 213 A 109 ILE H A 109 ILE HA 1.0 1.8 4.8 270 214 A 109 ILE HA A 110 TYR H 1.0 2.0 5.0 271 215 A 110 TYR H A 110 TYR HA 1.0 1.8 4.8 272 216 A 110 TYR H A 110 TYR HB2 1.0 1.8 4.8 273 217 A 110 TYR H A 110 TYR HB3 1.0 1.8 4.8 274 218 A 110 TYR HD% A 110 TYR HB3 1.0 1.8 4.8 275 218 A 110 TYR HD% A 110 TYR HB2 1.0 1.8 4.8 276 219 A 110 TYR HD% A 110 TYR HB3 1.0 1.8 4.8 277 219 A 110 TYR HD% A 110 TYR HB2 1.0 1.8 4.8 278 220 A 110 TYR HE% A 110 TYR HB3 1.0 1.8 4.8 279 220 A 110 TYR HB2 A 110 TYR HE% 1.0 1.8 4.8 280 221 A 110 TYR HE% A 110 TYR HB3 1.0 1.8 4.8 281 221 A 110 TYR HB2 A 110 TYR HE% 1.0 1.8 4.8 282 222 A 110 TYR HA A 110 TYR HD% 1.0 1.8 4.8 283 223 A 110 TYR HA A 110 TYR HE% 1.0 1.8 4.8 284 224 A 110 TYR HD% A 110 TYR HE% 1.0 1.8 4.8 285 225 A 110 TYR HD% A 110 TYR HE% 1.0 1.8 4.8 286 226 A 111 ARG H A 111 ARG HA 1.0 1.8 4.8 287 227 A 111 ARG HA A 112 GLY H 1.0 2.0 5.0 288 228 A 112 GLY H A 112 GLY HA3 1.0 1.8 4.8 289 229 A 112 GLY H A 112 GLY HA2 1.0 1.8 4.8 290 230 A 115 VAL H A 115 VAL HA 1.0 1.8 4.8 291 231 A 115 VAL H A 115 VAL HB 1.0 1.8 4.8 292 232 A 115 VAL HB A 115 VAL HG1% 1.0 1.8 4.8 293 232 A 115 VAL HB A 115 VAL HG21 1.0 1.8 4.8 294 233 A 115 VAL HB A 115 VAL HG1% 1.0 1.8 4.8 295 233 A 115 VAL HB A 115 VAL HG21 1.0 1.8 4.8 296 234 A 115 VAL HA A 115 VAL HG1% 1.0 1.8 4.8 297 234 A 115 VAL HA A 115 VAL HG21 1.0 1.8 4.8 298 235 A 116 THR H A 116 THR HG2% 1.0 1.8 4.8 299 235 A 116 THR H A 116 THR HG1 1.0 1.8 4.8 300 236 A 116 THR H A 116 THR HB 1.0 1.8 4.8 301 237 A 115 VAL H A 114 ILE HA 1.0 2.0 5.0 302 238 A 114 ILE HA A 114 ILE H 1.0 1.8 4.8 303 239 A 112 GLY HA3 A 113 LYS H 1.0 2.0 5.0 304 240 A 112 GLY HA2 A 113 LYS H 1.0 2.0 5.0 305 241 A 113 LYS H A 113 LYS HA 1.0 1.8 4.8 306 242 A 114 ILE H A 113 LYS HA 1.0 2.0 5.0 307 243 A 114 ILE HA A 114 ILE HD11 1.0 1.8 4.8 308 244 A 114 ILE H A 114 ILE HB 1.0 1.8 4.8 309 245 A 115 VAL H A 115 VAL HG1% 1.0 1.8 4.8 310 245 A 115 VAL H A 115 VAL HG21 1.0 1.8 4.8 311 246 A 116 THR H A 115 VAL HG1% 1.0 2.0 5.0 312 246 A 116 THR H A 115 VAL HG21 1.0 2.0 5.0 313 247 A 116 THR H A 115 VAL HB 1.0 2.0 5.0 314 248 A 116 THR H A 115 VAL HA 1.0 2.0 5.0 315 249 A 116 THR H A 116 THR HA 1.0 1.8 4.8 316 250 A 116 THR H A 116 THR HG2% 1.0 1.8 4.8 317 250 A 116 THR H A 116 THR HG1 1.0 1.8 4.8 318 251 A 100 ASP HA A 100 ASP H 1.0 1.8 4.8 319 252 A 116 THR HB A 117 PHE H 1.0 2.0 5.0 320 253 A 116 THR HA A 117 PHE H 1.0 2.0 5.0 321 254 A 117 PHE H A 117 PHE HA 1.0 1.8 4.8 322 255 A 117 PHE H A 117 PHE HBy 1.0 1.8 4.8 323 256 A 117 PHE H A 117 PHE HB2 1.0 1.8 4.8 324 257 A 118 ILE H A 117 PHE HBy 1.0 2.0 5.0 325 257 A 118 ILE H A 117 PHE HB2 1.0 2.0 5.0 326 258 A 118 ILE H A 117 PHE HBy 1.0 2.0 5.0 327 258 A 118 ILE H A 117 PHE HB2 1.0 2.0 5.0 328 259 A 117 PHE HD% A 117 PHE HBy 1.0 1.8 4.8 329 259 A 117 PHE HB2 A 117 PHE HD% 1.0 1.8 4.8 330 260 A 117 PHE HD% A 117 PHE HBy 1.0 1.8 4.8 331 260 A 117 PHE HB2 A 117 PHE HD% 1.0 1.8 4.8 332 261 A 117 PHE HD% A 117 PHE HE% 1.0 1.8 4.8 333 262 A 117 PHE HD% A 117 PHE HE% 1.0 1.8 4.8 334 263 A 117 PHE HD% A 117 PHE HE% 1.0 1.8 4.8 335 264 A 117 PHE HD% A 117 PHE HE% 1.0 1.8 4.8 336 265 A 117 PHE HA A 117 PHE HD% 1.0 1.8 4.8 337 266 A 117 PHE H A 117 PHE HD% 1.0 1.8 4.8 338 267 A 117 PHE HA A 118 ILE H 1.0 2.0 5.0 339 268 A 118 ILE H A 118 ILE HA 1.0 1.8 4.8 340 269 A 118 ILE H A 118 ILE HB 1.0 1.8 4.8 341 270 A 119 GLY H A 119 GLY HA3 1.0 1.8 4.8 342 271 A 119 GLY H A 119 GLY HA2 1.0 1.8 4.8 343 272 A 120 ASP H A 120 ASP HA 1.0 1.8 4.8 344 273 A 122 VAL H A 122 VAL HA 1.0 1.8 4.8 345 274 A 122 VAL H A 121 PRO HA 1.0 2.0 5.0 346 275 A 122 VAL H A 122 VAL HB 1.0 1.8 4.8 347 276 A 122 VAL H A 122 VAL HG1% 1.0 1.8 4.8 348 277 A 122 VAL H A 122 VAL HG1% 1.0 1.8 4.8 349 278 A 122 VAL HB A 122 VAL HG1% 1.0 1.8 4.8 350 279 A 122 VAL HB A 122 VAL HG2% 1.0 1.8 4.8 351 280 A 122 VAL HB A 122 VAL HG1% 1.0 1.8 4.8 352 281 A 122 VAL HB A 122 VAL HG2% 1.0 1.8 4.8 353 282 A 122 VAL HA A 122 VAL HG1% 1.0 1.8 4.8 354 283 A 122 VAL HA A 122 VAL HG2% 1.0 1.8 4.8 355 284 A 122 VAL H A 122 VAL HG2% 1.0 1.8 4.8 356 285 A 122 VAL H A 122 VAL HG1% 1.0 1.8 4.8 357 286 A 122 VAL H A 122 VAL HB 1.0 1.8 4.8 358 287 A 122 VAL HA A 123 ASP H 1.0 2.0 5.0 359 288 A 123 ASP H A 123 ASP HA 1.0 1.8 4.8 360 289 A 123 ASP H A 123 ASP HB3 1.0 1.8 4.8 361 290 A 123 ASP H A 123 ASP HB2 1.0 1.8 4.8 362 291 A 123 ASP HA A 124 LEU H 1.0 2.0 5.0 363 292 A 131 THR H A 131 THR HA 1.0 1.8 4.8 364 293 A 133 ILE H A 133 ILE HA 1.0 1.8 4.8 365 294 A 138 ASP H A 138 ASP HA 1.0 1.8 4.8 366 295 A 131 THR H A 131 THR HG1 1.0 1.8 4.8 367 295 A 131 THR H A 131 THR HG2% 1.0 1.8 4.8 368 296 A 133 ILE HA A 133 ILE HD1% 1.0 1.8 4.8 369 297 A 133 ILE H A 132 ARG HA 1.0 2.0 5.0 370 298 A 132 ARG HA A 132 ARG H 1.0 1.8 4.8 371 299 A 131 THR HA A 132 ARG H 1.0 2.0 5.0 372 300 A 132 ARG H A 131 THR HG2% 1.0 2.0 5.0 373 300 A 131 THR HG1 A 132 ARG H 1.0 2.0 5.0 374 301 A 132 ARG H A 132 ARG HB3 1.0 1.8 4.8 375 301 A 132 ARG H A 132 ARG HB2 1.0 1.8 4.8 376 302 A 132 ARG H A 132 ARG HG2 1.0 1.8 4.8 377 302 A 132 ARG H A 132 ARG HG3 1.0 1.8 4.8 378 303 A 133 ILE H A 132 ARG HG2 1.0 2.0 5.0 379 303 A 133 ILE H A 132 ARG HG3 1.0 2.0 5.0 380 304 A 133 ILE H A 132 ARG HB3 1.0 2.0 5.0 381 304 A 133 ILE H A 132 ARG HB2 1.0 2.0 5.0 382 305 A 134 LYS H A 134 LYS HBx 1.0 1.8 4.8 383 305 A 134 LYS H A 134 LYS HBy 1.0 1.8 4.8 384 306 A 134 LYS H A 134 LYS HA 1.0 1.8 4.8 385 307 A 135 GLY H A 135 GLY HA3 1.0 1.8 4.8 386 308 A 135 GLY H A 135 GLY HA2 1.0 1.8 4.8 387 309 A 135 GLY HA3 A 136 LYS H 1.0 2.0 5.0 388 310 A 136 LYS H A 136 LYS HA 1.0 1.8 4.8 389 311 A 136 LYS H A 136 LYS HBx 1.0 1.8 4.8 390 311 A 136 LYS H A 136 LYS HBy 1.0 1.8 4.8 391 312 A 136 LYS H A 136 LYS HGx 1.0 1.8 4.8 392 312 A 136 LYS H A 136 LYS HGy 1.0 1.8 4.8 393 313 A 136 LYS HA A 136 LYS HGx 1.0 1.8 4.8 394 313 A 136 LYS HA A 136 LYS HGy 1.0 1.8 4.8 395 314 A 136 LYS HBx A 136 LYS HEx 1.0 1.8 4.8 396 314 A 136 LYS HBy A 136 LYS HEx 1.0 1.8 4.8 397 314 A 136 LYS HEy A 136 LYS HBx 1.0 1.8 4.8 398 314 A 136 LYS HBy A 136 LYS HEy 1.0 1.8 4.8 399 315 A 136 LYS HEx A 136 LYS HGx 1.0 1.8 4.8 400 315 A 136 LYS HGy A 136 LYS HEx 1.0 1.8 4.8 401 315 A 136 LYS HGy A 136 LYS HEy 1.0 1.8 4.8 402 315 A 136 LYS HEy A 136 LYS HGx 1.0 1.8 4.8 403 316 A 136 LYS HA A 137 GLU H 1.0 2.0 5.0 404 317 A 137 GLU H A 136 LYS HGx 1.0 2.0 5.0 405 317 A 136 LYS HGy A 137 GLU H 1.0 2.0 5.0 406 318 A 137 GLU H A 136 LYS HBx 1.0 2.0 5.0 407 318 A 136 LYS HBy A 137 GLU H 1.0 2.0 5.0 408 319 A 137 GLU H A 137 GLU HA 1.0 1.8 4.8 409 320 A 137 GLU H A 137 GLU HBx 1.0 1.8 4.8 410 320 A 137 GLU H A 137 GLU HBy 1.0 1.8 4.8 411 321 A 137 GLU H A 137 GLU HBx 1.0 1.8 4.8 412 321 A 137 GLU H A 137 GLU HBy 1.0 1.8 4.8 413 322 A 137 GLU HA A 137 GLU HBx 1.0 1.8 4.8 414 322 A 137 GLU HA A 137 GLU HBy 1.0 1.8 4.8 415 323 A 137 GLU HA A 137 GLU HBx 1.0 1.8 4.8 416 323 A 137 GLU HA A 137 GLU HBy 1.0 1.8 4.8 417 324 A 138 ASP H A 138 ASP HB3 1.0 1.8 4.8 418 325 A 138 ASP H A 137 GLU HA 1.0 2.0 5.0 419 326 A 138 ASP H A 138 ASP HB2 1.0 1.8 4.8 420 327 A 138 ASP HA A 139 GLY H 1.0 2.0 5.0 421 328 A 139 GLY H A 139 GLY HA3 1.0 1.8 4.8 422 329 A 138 ASP H A 139 GLY H 1.0 2.0 5.0 423 330 A 138 ASP H A 137 GLU H 1.0 2.0 5.0 424 331 A 138 ASP H A 139 GLY H 1.0 2.0 5.0 425 332 A 140 ALA H A 140 ALA HA 1.0 1.8 4.8 426 333 A 140 ALA H A 140 ALA HB% 1.0 1.8 4.8 427 334 A 140 ALA H A 140 ALA HB% 1.0 1.8 4.8 428 335 A 139 GLY HA3 A 140 ALA H 1.0 2.0 5.0 429 336 A 139 GLY H A 139 GLY HA2 1.0 1.8 4.8 430 337 A 140 ALA HA A 141 TYR H 1.0 2.0 5.0 431 338 A 140 ALA HB% A 141 TYR H 1.0 2.0 5.0 432 339 A 141 TYR H A 141 TYR HB2 1.0 1.8 4.8 433 339 A 141 TYR H A 141 TYR HBy 1.0 1.8 4.8 434 340 A 141 TYR HD% A 141 TYR HB2 1.0 1.8 4.8 435 340 A 141 TYR HBy A 141 TYR HD% 1.0 1.8 4.8 436 341 A 141 TYR HE% A 141 TYR HB2 1.0 1.8 4.8 437 341 A 141 TYR HBy A 141 TYR HE% 1.0 1.8 4.8 438 342 A 141 TYR HD% A 141 TYR HA 1.0 1.8 4.8 439 343 A 72 VAL H A 39 PHE HD% 1.0 2.0 5.0 440 344 A 141 TYR HD% A 141 TYR HE% 1.0 1.8 4.8 441 345 A 141 TYR HD% A 141 TYR HE% 1.0 1.8 4.8 442 346 A 141 TYR HA A 142 VAL H 1.0 2.0 5.0 443 347 A 142 VAL H A 142 VAL HA 1.0 1.8 4.8 444 348 A 142 VAL H A 142 VAL HB 1.0 1.8 4.8 445 349 A 142 VAL H A 142 VAL HG1% 1.0 1.8 4.8 446 349 A 142 VAL H A 142 VAL HG2% 1.0 1.8 4.8 447 350 A 142 VAL HA A 142 VAL HG1% 1.0 1.8 4.8 448 350 A 142 VAL HA A 142 VAL HG2% 1.0 1.8 4.8 449 351 A 142 VAL HB A 142 VAL HG1% 1.0 1.8 4.8 450 351 A 142 VAL HB A 142 VAL HG2% 1.0 1.8 4.8 451 352 A 142 VAL HB A 142 VAL HG1% 1.0 1.8 4.8 452 352 A 142 VAL HB A 142 VAL HG2% 1.0 1.8 4.8 453 353 A 142 VAL HA A 142 VAL HG1% 1.0 1.8 4.8 454 353 A 142 VAL HA A 142 VAL HG2% 1.0 1.8 4.8 455 354 A 142 VAL HA A 142 VAL HB 1.0 1.8 4.8 456 355 A 142 VAL H A 142 VAL HG1% 1.0 1.8 4.8 457 355 A 142 VAL H A 142 VAL HG2% 1.0 1.8 4.8 458 356 A 143 GLY H A 143 GLY HA3 1.0 1.8 4.8 459 357 A 143 GLY H A 143 GLY HA3 1.0 1.8 4.8 460 358 A 142 VAL HA A 143 GLY H 1.0 2.0 5.0 461 359 A 143 GLY H A 142 VAL HG1% 1.0 2.0 5.0 462 359 A 142 VAL HG2% A 143 GLY H 1.0 2.0 5.0 463 360 A 131 THR H A 131 THR HB 1.0 1.8 4.8 464 361 A 132 ARG H A 131 THR HB 1.0 2.0 5.0 465 362 A 130 ILE H A 130 ILE HA 1.0 1.8 4.8 466 363 A 130 ILE H A 130 ILE HB 1.0 1.8 4.8 467 364 A 75 ILE HB A 75 ILE H 1.0 1.8 4.8 468 365 A 75 ILE HB A 75 ILE H 1.0 1.8 4.8 469 366 A 75 ILE H A 75 ILE HA 1.0 1.8 4.8 470 367 A 36 TYR H A 36 TYR HA 1.0 1.8 4.8 471 368 A 36 TYR H A 36 TYR HB2 1.0 1.8 4.8 472 369 A 36 TYR H A 36 TYR HB3 1.0 1.8 4.8 473 370 A 42 VAL HA A 42 VAL HG1% 1.0 1.8 4.8 474 371 A 42 VAL HA A 42 VAL HG2% 1.0 1.8 4.8 475 372 A 42 VAL HA A 42 VAL HB 1.0 1.8 4.8 476 373 A 42 VAL H A 42 VAL HG1% 1.0 1.8 4.8 477 374 A 42 VAL H A 42 VAL HG2% 1.0 1.8 4.8 478 375 A 42 VAL HB A 42 VAL HG1% 1.0 1.8 4.8 479 376 A 42 VAL HB A 42 VAL HG2% 1.0 1.8 4.8 480 377 A 62 TRP H A 62 TRP HD1 1.0 1.8 4.8 481 378 A 48 TYR HE% A 62 TRP HD1 1.0 2.0 5.0 482 379 A 48 TYR HD% A 62 TRP HD1 1.0 2.0 5.0 483 380 A 48 TYR HE% A 62 TRP HZ2 1.0 2.0 5.0 484 381 A 48 TYR HD% A 62 TRP HZ2 1.0 2.0 5.0 485 382 A 48 TYR HD% A 62 TRP HD1 1.0 2.0 5.0 486 383 A 48 TYR HE% A 62 TRP HD1 1.0 2.0 5.0 487 384 A 62 TRP HD1 A 62 TRP HZ2 1.0 1.8 4.8 488 385 A 62 TRP HA A 62 TRP HD1 1.0 1.8 4.8 489 386 A 48 TYR HD% A 62 TRP HA 1.0 2.0 5.0 490 387 A 48 TYR HE% A 48 TYR HB3 1.0 1.8 4.8 491 387 A 48 TYR HE% A 48 TYR HB2 1.0 1.8 4.8 492 388 A 48 TYR HD% A 48 TYR HE% 1.0 1.8 4.8 493 389 A 48 TYR H A 48 TYR HD% 1.0 1.8 4.8 494 390 A 48 TYR HE% A 62 TRP H 1.0 2.0 5.0 495 391 A 62 TRP H A 62 TRP HD1 1.0 1.8 4.8 496 392 A 48 TYR HE% A 62 TRP H 1.0 2.0 5.0 497 393 A 60 TYR H A 60 TYR HA 1.0 1.8 4.8 498 394 A 60 TYR H A 59 THR HA 1.0 2.0 5.0 499 395 A 60 TYR H A 59 THR HG2% 1.0 2.0 5.0 500 396 A 60 TYR H A 60 TYR HB3 1.0 1.8 4.8 501 397 A 60 TYR H A 60 TYR HB2 1.0 1.8 4.8 502 398 A 60 TYR H A 60 TYR HD% 1.0 1.8 4.8 503 399 A 60 TYR HD% A 60 TYR HE% 1.0 1.8 4.8 504 400 A 60 TYR HD% A 60 TYR HE% 1.0 1.8 4.8 505 401 A 60 TYR H A 60 TYR HD% 1.0 1.8 4.8 506 402 A 60 TYR H A 60 TYR HE% 1.0 1.8 4.8 507 403 A 60 TYR HB3 A 60 TYR HE% 1.0 1.8 4.8 508 404 A 60 TYR HB3 A 60 TYR HD% 1.0 1.8 4.8 509 405 A 60 TYR HB2 A 60 TYR HD% 1.0 1.8 4.8 510 406 A 59 THR HG2% A 59 THR H 1.0 1.8 4.8 511 407 A 59 THR HA A 59 THR H 1.0 1.8 4.8 512 408 A 59 THR H A 59 THR HB 1.0 1.8 4.8 513 409 A 62 TRP H A 61 LYS HBy 1.0 2.0 5.0 514 410 A 62 TRP H A 61 LYS HBx 1.0 2.0 5.0 515 411 A 62 TRP H A 61 LYS HGx 1.0 2.0 5.0 516 411 A 62 TRP H A 61 LYS HGy 1.0 2.0 5.0 517 412 A 62 TRP H A 61 LYS HA 1.0 2.0 5.0 518 413 A 48 TYR HD% A 60 TYR HD% 1.0 2.0 5.0 519 414 A 48 TYR HE% A 60 TYR HD% 1.0 2.0 5.0 520 415 A 48 TYR HE% A 62 TRP HE1 1.0 2.0 5.0 521 416 A 48 TYR HD% A 62 TRP HE1 1.0 2.0 5.0 522 417 A 48 TYR HD% A 60 TYR HD% 1.0 2.0 5.0 523 418 A 48 TYR HE% A 60 TYR HD% 1.0 2.0 5.0 524 419 A 48 TYR HD% A 62 TRP HE1 1.0 2.0 5.0 525 420 A 48 TYR HE% A 62 TRP HE1 1.0 2.0 5.0 526 421 A 98 TYR HD% A 99 ASP H 1.0 2.0 5.0 527 422 A 46 GLN HA A 65 GLU H 1.0 2.0 5.0 528 423 A 48 TYR HA A 63 VAL H 1.0 2.0 5.0 529 424 A 46 GLN HA A 64 ASP HA 1.0 1.8 2.8 530 425 A 66 PHE HE% A 66 PHE HZ 1.0 1.8 4.8 531 426 A 66 PHE HZ A 66 PHE HD% 1.0 1.8 4.8 532 427 A 66 PHE HE% A 66 PHE HD% 1.0 1.8 4.8 533 428 A 66 PHE HE% A 67 THR H 1.0 2.0 5.0 534 429 A 66 PHE H A 66 PHE HD% 1.0 1.8 4.8 535 430 A 66 PHE H A 66 PHE HE% 1.0 1.8 4.8 536 431 A 66 PHE HA A 66 PHE HD% 1.0 1.8 4.8 537 432 A 66 PHE HD% A 65 GLU HB2 1.0 2.0 5.0 538 432 A 65 GLU HB3 A 66 PHE HD% 1.0 2.0 5.0 539 433 A 66 PHE HD% A 65 GLU HG2 1.0 2.0 5.0 540 433 A 65 GLU HGy A 66 PHE HD% 1.0 2.0 5.0 541 434 A 66 PHE HE% A 65 GLU HB2 1.0 2.0 5.0 542 434 A 65 GLU HB3 A 66 PHE HE% 1.0 2.0 5.0 543 435 A 66 PHE HE% A 102 ILE HA 1.0 2.0 5.0 544 436 A 66 PHE HZ A 102 ILE HA 1.0 2.0 5.0 545 437 A 66 PHE HZ A 102 ILE HG2% 1.0 2.0 5.0 546 437 A 66 PHE HZ A 102 ILE HG1x 1.0 2.0 5.0 547 437 A 66 PHE HZ A 102 ILE HG1y 1.0 2.0 5.0 548 437 A 66 PHE HZ A 102 ILE HD11 1.0 2.0 5.0 549 438 A 66 PHE HE% A 102 ILE HG1x 1.0 2.0 5.0 550 438 A 66 PHE HE% A 102 ILE HG2% 1.0 2.0 5.0 551 438 A 66 PHE HE% A 102 ILE HG1y 1.0 2.0 5.0 552 438 A 66 PHE HE% A 102 ILE HD11 1.0 2.0 5.0 553 439 A 66 PHE HZ A 102 ILE HG1x 1.0 2.0 5.0 554 439 A 66 PHE HZ A 102 ILE HG2% 1.0 2.0 5.0 555 439 A 66 PHE HZ A 102 ILE HG1y 1.0 2.0 5.0 556 440 A 72 VAL HB A 72 VAL HG1% 1.0 1.8 4.8 557 441 A 72 VAL HB A 72 VAL HG2% 1.0 1.8 4.8 558 442 A 66 PHE HZ A 72 VAL HG1% 1.0 2.0 5.0 559 443 A 103 ASP H A 72 VAL HG1% 1.0 2.0 5.0 560 444 A 72 VAL HG2% A 110 TYR HE% 1.0 2.0 5.0 561 445 A 72 VAL HG2% A 110 TYR HD% 1.0 2.0 5.0 562 446 A 72 VAL HG2% A 110 TYR HE% 1.0 2.0 5.0 563 447 A 110 TYR HD% A 72 VAL HG1% 1.0 2.0 5.0 564 448 A 110 TYR H A 72 VAL HG1% 1.0 2.0 5.0 565 449 A 102 ILE H A 72 VAL HG1% 1.0 2.0 5.0 566 450 A 93 ASN H A 92 TYR HB3 1.0 2.0 5.0 567 451 A 93 ASN H A 92 TYR HB2 1.0 2.0 5.0 568 452 A 92 TYR HD% A 92 TYR HB3 1.0 1.8 4.8 569 453 A 92 TYR HD% A 92 TYR HB2 1.0 1.8 4.8 570 454 A 92 TYR HE% A 92 TYR HB3 1.0 1.8 4.8 571 455 A 92 TYR HD% A 92 TYR HB2 1.0 1.8 4.8 572 456 A 92 TYR HA A 92 TYR HD% 1.0 1.8 4.8 573 457 A 92 TYR HD% A 72 VAL HG1% 1.0 2.0 5.0 574 458 A 92 TYR HE% A 72 VAL HG1% 1.0 2.0 5.0 575 459 A 92 TYR HD% A 92 TYR HE% 1.0 1.8 4.8 576 460 A 92 TYR HD% A 92 TYR HE% 1.0 1.8 4.8 577 461 A 92 TYR H A 92 TYR HD% 1.0 1.8 4.8 578 462 A 92 TYR HD% A 93 ASN H 1.0 2.0 5.0 579 463 A 92 TYR HD% A 93 ASN H 1.0 2.0 5.0 580 464 A 93 ASN H A 92 TYR HE% 1.0 2.0 5.0 581 465 A 91 GLY H A 75 ILE H 1.0 2.5 4.1 582 466 A 92 TYR H A 92 TYR HB3 1.0 1.8 4.8 583 467 A 92 TYR HA A 92 TYR HB2 1.0 1.8 4.8 584 468 A 92 TYR HA A 74 PRO HA 1.0 1.8 2.8 585 469 A 72 VAL HA A 95 TYR H 1.0 2.0 5.0 586 470 A 71 HIS H A 95 TYR H 1.0 2.5 4.1 587 471 A 71 HIS H A 95 TYR H 1.0 2.5 4.1 588 472 A 95 TYR HD% A 95 TYR HE% 1.0 1.8 4.8 589 473 A 95 TYR H A 95 TYR HE% 1.0 1.8 4.8 590 474 A 95 TYR H A 95 TYR HD% 1.0 1.8 4.8 591 475 A 46 GLN H A 45 PHE HD% 1.0 2.0 5.0 592 476 A 71 HIS H A 95 TYR HD% 1.0 2.0 5.0 593 477 A 96 THR H A 95 TYR HD% 1.0 2.0 5.0 594 478 A 96 THR H A 95 TYR HE% 1.0 2.0 5.0 595 479 A 71 HIS H A 95 TYR HE% 1.0 2.0 5.0 596 480 A 71 HIS H A 96 THR HA 1.0 2.0 5.0 597 481 A 95 TYR HA A 96 THR H 1.0 2.0 5.0 598 482 A 75 ILE H A 74 PRO HA 1.0 2.0 5.0 599 483 A 92 TYR HA A 75 ILE H 1.0 2.0 5.0 600 484 A 92 TYR HD% A 75 ILE H 1.0 2.0 5.0 601 485 A 93 ASN H A 75 ILE H 1.0 2.5 4.1 602 486 A 91 GLY H A 136 LYS HA 1.0 2.0 5.0 603 487 A 92 TYR HD% A 75 ILE H 1.0 2.0 5.0 604 488 A 92 TYR HE% A 74 PRO HA 1.0 2.0 5.0 605 489 A 92 TYR HE% A 74 PRO HA 1.0 2.0 5.0 606 490 A 60 TYR HD% A 61 LYS H 1.0 2.0 5.0 607 491 A 60 TYR HD% A 61 LYS H 1.0 2.0 5.0 608 492 A 110 TYR H A 110 TYR HD% 1.0 1.8 4.8 609 493 A 72 VAL HB A 110 TYR HE% 1.0 2.0 5.0 610 494 A 96 THR HA A 96 THR HG1 1.0 1.8 4.8 611 495 A 96 THR HB A 96 THR HG1 1.0 1.8 4.8 612 496 A 96 THR HG1 A 96 THR HG2% 1.0 1.8 4.8 613 497 A 70 ALA HB% A 96 THR HG1 1.0 2.0 5.0 614 498 A 70 ALA HA A 96 THR HG1 1.0 2.0 5.0 615 499 A 36 TYR HA A 36 TYR HD% 1.0 1.8 4.8 616 500 A 36 TYR H A 36 TYR HD% 1.0 1.8 4.8 617 501 A 36 TYR HD% A 36 TYR HE% 1.0 1.8 4.8 618 502 A 36 TYR HD% A 36 TYR HE% 1.0 1.8 4.8 619 503 A 39 PHE HE% A 39 PHE HZ 1.0 1.8 4.8 620 504 A 39 PHE HD% A 39 PHE HE% 1.0 1.8 4.8 621 505 A 65 GLU H A 66 PHE H 1.0 2.0 5.0 622 506 A 63 VAL H A 62 TRP HE3 1.0 2.0 5.0 623 507 A 45 PHE H A 66 PHE H 1.0 2.5 4.1 624 508 A 116 THR HA A 117 PHE HD% 1.0 2.0 5.0 625 509 A 45 PHE H A 67 THR HA 1.0 2.0 5.0 626 510 A 45 PHE HD% A 45 PHE HE% 1.0 1.8 4.8 627 511 A 45 PHE HD% A 45 PHE HE% 1.0 1.8 4.8 628 512 A 67 THR HA A 45 PHE HD% 1.0 2.0 5.0 629 513 A 45 PHE HA A 45 PHE HD% 1.0 1.8 4.8 630 514 A 45 PHE HBx A 45 PHE HD% 1.0 1.8 4.8 631 515 A 45 PHE HD% A 45 PHE HBy 1.0 1.8 4.8 632 516 A 45 PHE HE% A 45 PHE HBy 1.0 1.8 4.8 633 517 A 45 PHE H A 45 PHE HBy 1.0 1.8 4.8 634 518 A 45 PHE H A 45 PHE HD% 1.0 1.8 4.8 635 519 A 45 PHE H A 45 PHE HE% 1.0 1.8 4.8 636 520 A 45 PHE H A 66 PHE H 1.0 2.5 4.1 637 521 A 45 PHE H A 45 PHE HE% 1.0 1.8 4.8 638 522 A 45 PHE H A 45 PHE HD% 1.0 1.8 4.8 639 523 A 66 PHE H A 45 PHE HBx 1.0 2.0 5.0 640 524 A 66 PHE H A 45 PHE HBy 1.0 2.0 5.0 641 525 A 65 GLU H A 66 PHE H 1.0 2.0 5.0 642 526 A 45 PHE HD% A 108 VAL HG1% 1.0 2.0 5.0 643 526 A 108 VAL HG2% A 45 PHE HD% 1.0 2.0 5.0 644 527 A 45 PHE HE% A 108 VAL HG1% 1.0 2.0 5.0 645 527 A 108 VAL HG2% A 45 PHE HE% 1.0 2.0 5.0 646 528 A 72 VAL H A 39 PHE HE% 1.0 2.0 5.0 647 529 A 72 VAL H A 39 PHE HD% 1.0 2.0 5.0 648 530 A 39 PHE HE% A 39 PHE HZ 1.0 1.8 4.8 649 531 A 39 PHE HD% A 39 PHE HE% 1.0 1.8 4.8 650 532 A 71 HIS H A 39 PHE HE% 1.0 2.0 5.0 651 533 A 47 SER H A 63 VAL H 1.0 2.5 4.1 652 534 A 64 ASP H A 65 GLU H 1.0 2.0 5.0 653 535 A 130 ILE H A 129 GLU H 1.0 2.0 5.0 654 536 A 97 PRO HA A 130 ILE H 1.0 2.0 5.0 655 537 A 96 THR H A 131 THR H 1.0 2.5 4.1 656 538 A 94 ILE H A 133 ILE H 1.0 2.5 4.1 657 539 A 98 TYR H A 131 THR H 1.0 2.5 4.1 658 540 A 123 ASP HA A 132 ARG H 1.0 2.0 5.0 659 541 A 122 VAL H A 132 ARG H 1.0 2.5 4.1 660 542 A 93 ASN HA A 134 LYS HA 1.0 1.8 2.8 661 543 A 45 PHE H A 68 ALA H 1.0 2.5 4.1 662 544 A 43 ILE H A 68 ALA H 1.0 2.5 4.1 663 545 A 43 ILE H A 68 ALA H 1.0 2.5 4.1 664 546 A 44 THR HA A 68 ALA H 1.0 2.0 5.0 665 547 A 68 ALA H A 69 ALA H 1.0 2.0 5.0 666 548 A 116 THR H A 117 PHE H 1.0 2.0 5.0 667 549 A 117 PHE H A 118 ILE H 1.0 2.0 5.0 668 550 A 135 GLY H A 136 LYS H 1.0 2.0 5.0 669 551 A 117 PHE H A 117 PHE HD% 1.0 1.8 4.8 670 552 A 46 GLN H A 107 ARG H 1.0 2.5 4.1 671 553 A 47 SER HA A 106 MET HA 1.0 1.8 2.8 672 554 A 48 TYR HA A 62 TRP HA 1.0 1.8 2.8 673 555 A 44 THR HA A 67 THR HA 1.0 1.8 2.8 674 556 A 67 THR HA A 67 THR HB 1.0 1.8 4.8 675 557 A 47 SER HA A 47 SER HB2 1.0 1.8 4.8 676 557 A 47 SER HA A 47 SER HBy 1.0 1.8 4.8 677 558 A 70 ALA HA A 96 THR HA 1.0 1.8 2.8 678 559 A 134 LYS H A 135 GLY H 1.0 2.0 5.0 679 560 A 92 TYR H A 135 GLY H 1.0 2.5 4.1 680 561 A 91 GLY HA2 A 136 LYS HA 1.0 2.0 5.0 681 562 A 91 GLY HA3 A 136 LYS HA 1.0 2.0 5.0 682 563 A 136 LYS HA A 136 LYS HBx 1.0 1.8 4.8 683 563 A 136 LYS HA A 136 LYS HBy 1.0 1.8 4.8 684 564 A 91 GLY HA2 A 137 GLU H 1.0 2.0 5.0 685 565 A 90 ILE H A 89 PRO HA 1.0 2.0 5.0 686 566 A 109 ILE H A 110 TYR H 1.0 2.0 5.0 687 567 A 111 ARG H A 112 GLY H 1.0 2.0 5.0 688 568 A 110 TYR H A 111 ARG H 1.0 2.0 5.0 689 569 A 131 THR HA A 131 THR HB 1.0 1.8 4.8 690 570 A 66 PHE HD% A 67 THR H 1.0 2.0 5.0 691 571 A 41 ASP H A 40 ARG HA 1.0 2.0 5.0 692 572 A 41 ASP H A 71 HIS HA 1.0 2.0 5.0 693 573 A 41 ASP H A 70 ALA H 1.0 2.5 4.1 694 574 A 41 ASP H A 42 VAL H 1.0 2.0 5.0 695 575 A 43 ILE H A 70 ALA H 1.0 2.5 4.1 696 576 A 44 THR H A 109 ILE H 1.0 2.5 4.1 697 577 A 45 PHE HA A 109 ILE H 1.0 2.0 5.0 698 578 A 45 PHE HA A 108 VAL HA 1.0 1.8 2.8 699 579 A 90 ILE H A 91 GLY H 1.0 2.0 5.0 700 580 A 118 ILE H A 117 PHE HD% 1.0 2.0 5.0 701 581 A 47 SER H A 62 TRP HE3 1.0 2.0 5.0 702 582 A 48 TYR H A 62 TRP HE3 1.0 2.0 5.0 703 583 A 62 TRP H A 62 TRP HE3 1.0 1.8 4.8 704 584 A 135 GLY HA3 A 135 GLY HA2 1.0 1.8 4.8 705 585 A 71 HIS HA A 71 HIS HB2 1.0 1.8 4.8 706 586 A 71 HIS H A 71 HIS HB3 1.0 1.8 4.8 707 587 A 48 TYR HD% A 62 TRP HA 1.0 2.0 5.0 708 588 A 48 TYR HD% A 62 TRP HA 1.0 2.0 5.0 709 589 A 47 SER H A 64 ASP HA 1.0 2.0 5.0 710 590 A 49 VAL H A 49 VAL HG1% 1.0 1.8 4.8 711 590 A 49 VAL H A 49 VAL HG21 1.0 1.8 4.8 712 591 A 49 VAL H A 49 VAL HB 1.0 1.8 4.8 713 592 A 63 VAL H A 63 VAL HG2% 1.0 1.8 4.8 714 593 A 63 VAL H A 63 VAL HG1% 1.0 1.8 4.8 715 594 A 63 VAL HA A 63 VAL HG1% 1.0 1.8 4.8 716 595 A 63 VAL HG2% A 63 VAL HA 1.0 1.8 4.8 717 596 A 63 VAL HB A 63 VAL HG1% 1.0 1.8 4.8 718 597 A 63 VAL HG2% A 63 VAL HB 1.0 1.8 4.8 719 598 A 50 GLU H A 50 GLU HA 1.0 1.8 4.8 720 599 A 49 VAL HB A 50 GLU H 1.0 2.0 5.0 721 600 A 50 GLU H A 49 VAL HG1% 1.0 2.0 5.0 722 600 A 49 VAL HG21 A 50 GLU H 1.0 2.0 5.0 723 601 A 50 GLU H A 49 VAL HA 1.0 2.0 5.0 724 602 A 49 VAL H A 50 GLU H 1.0 2.0 5.0 725 603 A 50 GLU H A 50 GLU HB2 1.0 1.8 4.8 726 603 A 50 GLU H A 50 GLU HB3 1.0 1.8 4.8 727 604 A 107 ARG H A 117 PHE HD% 1.0 2.0 5.0 728 605 A 108 VAL H A 117 PHE HD% 1.0 2.0 5.0 729 606 A 106 MET H A 117 PHE HD% 1.0 2.0 5.0 730 607 A 108 VAL H A 115 VAL H 1.0 2.5 4.1 731 608 A 109 ILE HA A 115 VAL H 1.0 2.0 5.0 732 609 A 113 LYS H A 113 LYS HBx 1.0 1.8 4.8 733 609 A 113 LYS H A 113 LYS HBy 1.0 1.8 4.8 734 610 A 114 ILE H A 113 LYS H 1.0 2.0 5.0 735 611 A 110 TYR H A 113 LYS H 1.0 2.0 5.0 736 612 A 66 PHE HE% A 68 ALA H 1.0 2.0 5.0 737 613 A 108 VAL H A 108 VAL HG1% 1.0 1.8 4.8 738 614 A 108 VAL H A 108 VAL HG1% 1.0 1.8 4.8 739 615 A 90 ILE H A 90 ILE HB 1.0 1.8 4.8 740 616 A 94 ILE H A 94 ILE HB 1.0 1.8 4.8 741 617 A 102 ILE H A 102 ILE HB 1.0 1.8 4.8 742 618 A 109 ILE H A 109 ILE HB 1.0 1.8 4.8 743 619 A 118 ILE H A 118 ILE HB 1.0 1.8 4.8 744 620 A 49 VAL H A 49 VAL HG21 1.0 1.8 4.8 745 621 A 49 VAL H A 49 VAL HG1% 1.0 1.8 4.8 746 622 A 49 VAL H A 49 VAL HB 1.0 1.8 4.8 747 623 A 49 VAL HG21 A 49 VAL HA 1.0 1.8 4.8 748 624 A 49 VAL HA A 49 VAL HG1% 1.0 1.8 4.8 749 625 A 49 VAL HB A 49 VAL HA 1.0 1.8 4.8 750 626 A 49 VAL HG21 A 49 VAL HB 1.0 1.8 4.8 751 627 A 49 VAL HB A 49 VAL HG1% 1.0 1.8 4.8 752 628 A 44 THR H A 43 ILE HB 1.0 2.0 5.0 753 629 A 43 ILE H A 43 ILE HB 1.0 1.8 4.8 754 630 A 43 ILE HA A 43 ILE HB 1.0 1.8 4.8 755 631 A 44 THR H A 43 ILE HB 1.0 2.0 5.0 756 632 A 59 THR HG2% A 59 THR HB 1.0 1.8 4.8 757 632 A 59 THR HB A 59 THR HG1 1.0 1.8 4.8 758 633 A 59 THR HA A 59 THR HG2% 1.0 1.8 4.8 759 633 A 59 THR HA A 59 THR HG1 1.0 1.8 4.8 760 634 A 59 THR H A 59 THR HG1 1.0 1.8 4.8 761 634 A 59 THR HG2% A 59 THR H 1.0 1.8 4.8 762 635 A 116 THR HB A 116 THR HG2% 1.0 1.8 4.8 763 635 A 116 THR HB A 116 THR HG1 1.0 1.8 4.8 764 636 A 116 THR HA A 116 THR HG2% 1.0 1.8 4.8 765 636 A 116 THR HG1 A 116 THR HA 1.0 1.8 4.8 766 637 A 116 THR H A 116 THR HG2% 1.0 1.8 4.8 767 637 A 116 THR H A 116 THR HG1 1.0 1.8 4.8 768 638 A 124 LEU HG A 124 LEU HA 1.0 1.8 4.8 769 639 A 124 LEU HA A 124 LEU HBx 1.0 1.8 4.8 770 639 A 124 LEU HA A 124 LEU HBy 1.0 1.8 4.8 771 640 A 124 LEU H A 124 LEU HG 1.0 1.8 4.8 772 641 A 124 LEU H A 124 LEU HBx 1.0 1.8 4.8 773 641 A 124 LEU H A 124 LEU HBy 1.0 1.8 4.8 774 642 A 75 ILE HB A 75 ILE HA 1.0 1.8 4.8 775 643 A 72 VAL HG2% A 72 VAL HG1% 1.0 1.8 4.8 776 644 A 73 GLN H A 72 VAL HG1% 1.0 2.0 5.0 777 645 A 92 TYR HD% A 72 VAL HG1% 1.0 2.0 5.0 778 646 A 110 TYR HE% A 72 VAL HG1% 1.0 2.0 5.0 779 647 A 92 TYR HE% A 72 VAL HG1% 1.0 2.0 5.0 780 648 A 110 TYR HD% A 72 VAL HG1% 1.0 2.0 5.0 781 649 A 94 ILE HA A 72 VAL HG1% 1.0 2.0 5.0 782 650 A 92 TYR HB3 A 72 VAL HG1% 1.0 2.0 5.0 783 651 A 92 TYR HB2 A 72 VAL HG1% 1.0 2.0 5.0 784 652 A 121 PRO HA A 133 ILE HD1% 1.0 2.0 5.0 785 653 A 126 GLY H A 126 GLY HA3 1.0 1.8 4.8 786 654 A 110 TYR HD% A 43 ILE HG21 1.0 2.0 5.0 787 654 A 110 TYR HD% A 43 ILE HG1x 1.0 2.0 5.0 788 654 A 110 TYR HD% A 43 ILE HG1y 1.0 2.0 5.0 789 654 A 110 TYR HD% A 43 ILE HD11 1.0 2.0 5.0 790 655 A 38 GLU H A 37 GLU HA 1.0 2.0 5.0 791 656 A 38 GLU H A 38 GLU HB2 1.0 1.8 4.8 792 656 A 38 GLU H A 38 GLU HB3 1.0 1.8 4.8 793 657 A 37 GLU H A 37 GLU HB2 1.0 1.8 4.8 794 657 A 37 GLU H A 37 GLU HB3 1.0 1.8 4.8 795 658 A 66 PHE H A 44 THR HG2% 1.0 2.0 5.0 796 659 A 99 ASP H A 102 ILE HG1x 1.0 2.0 5.0 797 659 A 99 ASP H A 102 ILE HG2% 1.0 2.0 5.0 798 659 A 99 ASP H A 102 ILE HG1y 1.0 2.0 5.0 799 659 A 99 ASP H A 102 ILE HD11 1.0 2.0 5.0 800 660 A 99 ASP HA A 100 ASP H 1.0 2.0 5.0 801 661 A 110 TYR HE% A 72 VAL HG1% 1.0 2.0 5.0 802 662 A 110 TYR HD% A 72 VAL HG1% 1.0 2.0 5.0 803 663 A 48 TYR HA A 48 TYR HE% 1.0 1.8 4.8 804 664 A 48 TYR HE% A 60 TYR HB2 1.0 2.0 5.0 805 665 A 48 TYR HD% A 60 TYR HB2 1.0 2.0 5.0 806 666 A 48 TYR HD% A 60 TYR HB3 1.0 2.0 5.0 807 667 A 48 TYR HE% A 60 TYR HB3 1.0 2.0 5.0 808 668 A 48 TYR HE% A 61 LYS HA 1.0 2.0 5.0 809 669 A 48 TYR HD% A 61 LYS HA 1.0 2.0 5.0 810 670 A 48 TYR HB2 A 48 TYR HB3 1.0 1.8 4.8 811 671 A 48 TYR HA A 48 TYR HB3 1.0 1.8 4.8 812 672 A 48 TYR H A 48 TYR HB3 1.0 1.8 4.8 813 673 A 48 TYR HD% A 48 TYR HB3 1.0 1.8 4.8 814 674 A 48 TYR HE% A 48 TYR HB3 1.0 1.8 4.8 815 675 A 48 TYR HD% A 62 TRP HZ2 1.0 2.0 5.0 816 676 A 62 TRP HZ2 A 48 TYR HB3 1.0 2.0 5.0 817 677 A 62 TRP HZ2 A 48 TYR HB2 1.0 2.0 5.0 818 678 A 48 TYR HA A 48 TYR HB2 1.0 1.8 4.8 819 679 A 48 TYR HD% A 48 TYR HB3 1.0 1.8 4.8 820 680 A 48 TYR HD% A 48 TYR HB2 1.0 1.8 4.8 821 681 A 62 TRP HZ2 A 48 TYR HB3 1.0 2.0 5.0 822 682 A 62 TRP HZ2 A 48 TYR HB2 1.0 2.0 5.0 823 683 A 48 TYR H A 48 TYR HB3 1.0 1.8 4.8 824 684 A 48 TYR H A 48 TYR HB2 1.0 1.8 4.8 825 685 A 45 PHE HA A 45 PHE HE% 1.0 1.8 4.8 826 686 A 45 PHE HZ A 108 VAL HG1% 1.0 2.0 5.0 827 686 A 108 VAL HG2% A 45 PHE HZ 1.0 2.0 5.0 828 687 A 45 PHE HZ A 43 ILE HG1x 1.0 2.0 5.0 829 687 A 45 PHE HZ A 43 ILE HG21 1.0 2.0 5.0 830 687 A 43 ILE HG1y A 45 PHE HZ 1.0 2.0 5.0 831 687 A 43 ILE HD11 A 45 PHE HZ 1.0 2.0 5.0 832 688 A 45 PHE HE% A 43 ILE HG21 1.0 2.0 5.0 833 688 A 45 PHE HE% A 43 ILE HG1x 1.0 2.0 5.0 834 688 A 45 PHE HE% A 43 ILE HG1y 1.0 2.0 5.0 835 688 A 45 PHE HE% A 43 ILE HD11 1.0 2.0 5.0 836 689 A 45 PHE HD% A 43 ILE HG1x 1.0 2.0 5.0 837 689 A 45 PHE HD% A 43 ILE HG21 1.0 2.0 5.0 838 689 A 45 PHE HD% A 43 ILE HG1y 1.0 2.0 5.0 839 689 A 45 PHE HD% A 43 ILE HD11 1.0 2.0 5.0 840 690 A 108 VAL HG2% A 45 PHE HE% 1.0 2.0 5.0 841 691 A 108 VAL HG2% A 45 PHE HZ 1.0 2.0 5.0 842 692 A 45 PHE HD% A 108 VAL HG1% 1.0 2.0 5.0 843 693 A 45 PHE HZ A 108 VAL HG1% 1.0 2.0 5.0 844 694 A 108 VAL HG2% A 45 PHE HD% 1.0 2.0 5.0 845 695 A 45 PHE HZ A 43 ILE HG1x 1.0 2.0 5.0 846 695 A 45 PHE HZ A 43 ILE HG21 1.0 2.0 5.0 847 695 A 43 ILE HG1y A 45 PHE HZ 1.0 2.0 5.0 848 695 A 43 ILE HD11 A 45 PHE HZ 1.0 2.0 5.0 849 696 A 45 PHE HE% A 43 ILE HG21 1.0 2.0 5.0 850 696 A 45 PHE HE% A 43 ILE HG1x 1.0 2.0 5.0 851 696 A 45 PHE HE% A 43 ILE HG1y 1.0 2.0 5.0 852 696 A 45 PHE HE% A 43 ILE HD11 1.0 2.0 5.0 853 697 A 45 PHE HE% A 102 ILE HG1x 1.0 2.0 5.0 854 697 A 45 PHE HE% A 102 ILE HG2% 1.0 2.0 5.0 855 697 A 102 ILE HG1y A 45 PHE HE% 1.0 2.0 5.0 856 697 A 102 ILE HD11 A 45 PHE HE% 1.0 2.0 5.0 857 698 A 45 PHE HZ A 102 ILE HG2% 1.0 2.0 5.0 858 698 A 45 PHE HZ A 102 ILE HG1x 1.0 2.0 5.0 859 698 A 102 ILE HG1y A 45 PHE HZ 1.0 2.0 5.0 860 698 A 102 ILE HD11 A 45 PHE HZ 1.0 2.0 5.0 861 699 A 45 PHE HD% A 96 THR HG2% 1.0 2.0 5.0 862 700 A 96 THR HG2% A 45 PHE HZ 1.0 2.0 5.0 863 701 A 96 THR HG2% A 45 PHE HE% 1.0 2.0 5.0 864 702 A 70 ALA HB% A 45 PHE HE% 1.0 2.0 5.0 865 703 A 70 ALA HB% A 45 PHE HZ 1.0 2.0 5.0 866 704 A 70 ALA HB% A 45 PHE HD% 1.0 2.0 5.0 867 705 A 98 TYR H A 96 THR HG2% 1.0 2.0 5.0 868 706 A 66 PHE HE% A 101 ARG HGx 1.0 2.0 5.0 869 706 A 66 PHE HE% A 101 ARG HGy 1.0 2.0 5.0 870 707 A 66 PHE HE% A 101 ARG HBy 1.0 2.0 5.0 871 708 A 66 PHE HE% A 101 ARG HB2 1.0 2.0 5.0 872 709 A 66 PHE HZ A 101 ARG HGx 1.0 2.0 5.0 873 709 A 66 PHE HZ A 101 ARG HGy 1.0 2.0 5.0 874 710 A 92 TYR HD% A 115 VAL HG1% 1.0 2.0 5.0 875 710 A 92 TYR HD% A 115 VAL HG21 1.0 2.0 5.0 876 711 A 92 TYR HE% A 115 VAL HG1% 1.0 2.0 5.0 877 711 A 92 TYR HE% A 115 VAL HG21 1.0 2.0 5.0 878 712 A 110 TYR HD% A 115 VAL HG1% 1.0 2.0 5.0 879 712 A 110 TYR HD% A 115 VAL HG21 1.0 2.0 5.0 880 713 A 110 TYR HE% A 115 VAL HG1% 1.0 2.0 5.0 881 713 A 110 TYR HE% A 115 VAL HG21 1.0 2.0 5.0 882 714 A 99 ASP H A 131 THR H 1.0 2.5 4.1 883 715 A 107 ARG H A 106 MET HGx 1.0 2.0 5.0 884 715 A 107 ARG H A 106 MET HGy 1.0 2.0 5.0 885 715 A 107 ARG H A 106 MET HE1 1.0 2.0 5.0 886 716 A 106 MET H A 106 MET HGx 1.0 1.8 4.8 887 716 A 106 MET H A 106 MET HGy 1.0 1.8 4.8 888 716 A 106 MET H A 106 MET HE1 1.0 1.8 4.8 889 717 A 117 PHE HD% A 106 MET HBx 1.0 2.0 5.0 890 717 A 106 MET HBy A 117 PHE HD% 1.0 2.0 5.0 891 718 A 117 PHE HD% A 106 MET HGx 1.0 2.0 5.0 892 718 A 106 MET HGy A 117 PHE HD% 1.0 2.0 5.0 893 718 A 106 MET HE1 A 117 PHE HD% 1.0 2.0 5.0 894 719 A 117 PHE HD% A 106 MET HGx 1.0 2.0 5.0 895 719 A 106 MET HGy A 117 PHE HD% 1.0 2.0 5.0 896 719 A 106 MET HE1 A 117 PHE HD% 1.0 2.0 5.0 897 720 A 117 PHE HZ A 106 MET HBx 1.0 2.0 5.0 898 720 A 106 MET HBy A 117 PHE HZ 1.0 2.0 5.0 899 721 A 114 ILE H A 113 LYS H 1.0 2.0 5.0 900 722 A 124 LEU H A 131 THR HA 1.0 2.0 5.0 901 723 A 136 LYS HA A 136 LYS HBx 1.0 1.8 4.8 902 723 A 136 LYS HA A 136 LYS HBy 1.0 1.8 4.8 903 724 A 91 GLY H A 92 TYR H 1.0 2.0 5.0 904 725 A 85 GLN H A 85 GLN HA 1.0 1.8 4.8 905 726 A 50 GLU H A 51 GLN H 1.0 2.0 5.0 906 727 A 53 ASN H A 53 ASN HA 1.0 1.8 4.8 907 728 A 53 ASN H A 53 ASN HB2 1.0 1.8 4.8 908 728 A 53 ASN H A 53 ASN HB3 1.0 1.8 4.8 909 729 A 80 TYR H A 80 TYR HA 1.0 1.8 4.8 910 730 A 80 TYR H A 80 TYR HB2 1.0 1.8 4.8 911 730 A 80 TYR H A 80 TYR HBy 1.0 1.8 4.8 912 731 A 80 TYR HD% A 80 TYR HB2 1.0 1.8 4.8 913 731 A 80 TYR HBy A 80 TYR HD% 1.0 1.8 4.8 914 732 A 80 TYR HA A 80 TYR HD% 1.0 1.8 4.8 915 733 A 81 TYR HD% A 81 TYR HB3 1.0 1.8 4.8 916 734 A 81 TYR HD% A 81 TYR HB2 1.0 1.8 4.8 917 735 A 81 TYR HD% A 81 TYR HA 1.0 1.8 4.8 918 736 A 88 THR H A 88 THR HG2% 1.0 1.8 4.8 919 737 A 38 GLU H A 38 GLU HA 1.0 1.8 4.8 920 738 A 37 GLU HA A 37 GLU H 1.0 1.8 4.8 921 739 A 39 PHE H A 39 PHE HA 1.0 1.8 4.8 922 740 A 36 TYR HA A 37 GLU H 1.0 2.0 5.0 923 741 A 36 TYR HB3 A 36 TYR HD% 1.0 1.8 4.8 924 742 A 36 TYR HB2 A 36 TYR HD% 1.0 1.8 4.8 925 743 A 36 TYR HA A 36 TYR HE% 1.0 1.8 4.8 926 744 A 39 PHE H A 39 PHE HB2 1.0 1.8 4.8 927 745 A 39 PHE H A 39 PHE HB3 1.0 1.8 4.8 928 746 A 39 PHE HD% A 39 PHE HB3 1.0 1.8 4.8 929 747 A 39 PHE HD% A 39 PHE HB2 1.0 1.8 4.8 930 748 A 39 PHE HD% A 39 PHE HA 1.0 1.8 4.8 931 749 A 39 PHE HE% A 39 PHE HB2 1.0 1.8 4.8 932 750 A 39 PHE HE% A 39 PHE HB3 1.0 1.8 4.8 933 751 A 70 ALA HB% A 39 PHE HD% 1.0 2.0 5.0 934 752 A 67 THR HA A 67 THR HG2% 1.0 1.8 4.8 935 753 A 67 THR HA A 44 THR HG2% 1.0 2.0 5.0 936 754 A 96 THR HA A 96 THR HG2% 1.0 1.8 4.8 937 755 A 70 ALA HB% A 96 THR HB 1.0 2.0 5.0 938 756 A 70 ALA HB% A 96 THR HA 1.0 2.0 5.0 939 757 A 94 ILE HA A 72 VAL HG2% 1.0 2.0 5.0 940 758 A 72 VAL HA A 72 VAL HB 1.0 1.8 4.8 941 759 A 68 ALA HA A 68 ALA HB% 1.0 1.8 4.8 942 760 A 90 ILE HB A 90 ILE HD11 1.0 1.8 4.8 943 761 A 90 ILE HD11 A 90 ILE HG2% 1.0 1.8 4.8 944 762 A 90 ILE HB A 90 ILE HG2% 1.0 1.8 4.8 945 763 A 90 ILE HA A 90 ILE HD11 1.0 1.8 4.8 946 764 A 90 ILE HA A 90 ILE HG2% 1.0 1.8 4.8 947 765 A 90 ILE HA A 90 ILE HB 1.0 1.8 4.8 948 766 A 93 ASN HA A 93 ASN HB3 1.0 1.8 4.8 949 767 A 93 ASN HA A 93 ASN HB2 1.0 1.8 4.8 950 768 A 134 LYS HA A 134 LYS HBx 1.0 1.8 4.8 951 768 A 134 LYS HBy A 134 LYS HA 1.0 1.8 4.8 952 769 A 134 LYS HA A 134 LYS HGx 1.0 1.8 4.8 953 769 A 134 LYS HA A 134 LYS HGy 1.0 1.8 4.8 954 770 A 95 TYR HA A 95 TYR HB3 1.0 1.8 4.8 955 771 A 95 TYR HA A 95 TYR HB2 1.0 1.8 4.8 956 772 A 132 ARG HA A 132 ARG HB2 1.0 1.8 4.8 957 773 A 132 ARG HA A 132 ARG HB3 1.0 1.8 4.8 958 774 A 138 ASP HA A 138 ASP HB3 1.0 1.8 4.8 959 775 A 138 ASP HA A 138 ASP HB2 1.0 1.8 4.8 960 776 A 121 PRO HA A 133 ILE HA 1.0 1.8 2.8 961 777 A 121 PRO HA A 133 ILE HG2% 1.0 2.0 5.0 962 778 A 133 ILE HA A 133 ILE HG2% 1.0 1.8 4.8 963 779 A 133 ILE HA A 133 ILE HD1% 1.0 1.8 4.8 964 780 A 133 ILE HA A 133 ILE HG2% 1.0 1.8 4.8 965 781 A 123 ASP HA A 123 ASP HB3 1.0 1.8 4.8 966 782 A 123 ASP HA A 123 ASP HB2 1.0 1.8 4.8 967 783 A 131 THR HA A 131 THR HG2% 1.0 1.8 4.8 968 784 A 123 ASP HA A 131 THR HA 1.0 1.8 2.8 969 785 A 108 VAL HA A 108 VAL HG1% 1.0 1.8 4.8 970 785 A 108 VAL HA A 108 VAL HG2% 1.0 1.8 4.8 971 786 A 45 PHE HA A 108 VAL HG2% 1.0 2.0 5.0 972 787 A 45 PHE HA A 108 VAL HG1% 1.0 2.0 5.0 973 788 A 110 TYR HB2 A 110 TYR HE% 1.0 1.8 4.8 974 789 A 110 TYR HD% A 110 TYR HB2 1.0 1.8 4.8 975 790 A 110 TYR HD% A 110 TYR HB3 1.0 1.8 4.8 976 791 A 110 TYR HD% A 110 TYR HB3 1.0 1.8 4.8 977 792 A 114 ILE HA A 114 ILE HB 1.0 1.8 4.8 978 793 A 98 TYR HD% A 123 ASP HA 1.0 2.0 5.0 979 794 A 98 TYR HE% A 123 ASP HA 1.0 2.0 5.0 980 795 A 98 TYR HD% A 123 ASP HB3 1.0 2.0 5.0 981 796 A 98 TYR HE% A 123 ASP HB3 1.0 2.0 5.0 982 797 A 98 TYR HD% A 123 ASP HB2 1.0 2.0 5.0 983 798 A 98 TYR HE% A 123 ASP HB2 1.0 2.0 5.0 984 799 A 92 TYR HD% A 108 VAL HG1% 1.0 2.0 5.0 985 799 A 92 TYR HD% A 108 VAL HG2% 1.0 2.0 5.0 stop_ save_