data_nef_c18388_2lro save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 18389 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 101 GLU OE2 2 1 CA CA 1 141 ASP OD1 2 1 CA CA 1 91 GLU OE1 2 1 CA CA 1 163 ASP OD1 2 2 CA CA 1 38 THR O 2 2 CA CA 1 40 ASN O 2 2 CA CA 1 12 ASP O 2 2 CA CA 1 135 ASP OD2 2 1 CA CA 1 14 GLU OE2 2 2 CA CA 1 139 THR O 2 1 CA CA 1 91 GLU OE2 2 1 CA CA 1 137 SER OG 2 1 CA CA 1 163 ASP OD2 2 2 CA CA 1 101 GLU OE1 2 1 CA CA 1 141 ASP OD2 2 1 CA CA 1 14 GLU OE1 2 2 CA CA 1 135 ASP OD1 2 1 CA CA 1 12 ASP OD1 2 2 CA CA 1 38 THR OG1 2 2 CA CA stop_ 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 ALA middle . . 3 A 3 SER middle . . 4 A 4 ALA middle . . 5 A 5 VAL middle . . 6 A 6 GLY middle . false 7 A 7 GLU middle . . 8 A 8 LYS middle . . 9 A 9 MET middle . . 10 A 10 LEU middle . . 11 A 11 ASP middle . . 12 A 12 ASP middle . . 13 A 13 PHE middle . . 14 A 14 GLU middle . . 15 A 15 GLY middle . false 16 A 16 VAL middle . . 17 A 17 LEU middle . . 18 A 18 ASN middle . . 19 A 19 TRP middle . . 20 A 20 GLY middle . false 21 A 21 SER middle . . 22 A 22 TYR middle . . 23 A 23 SER middle . . 24 A 24 GLY middle . false 25 A 25 GLU middle . . 26 A 26 GLY middle . false 27 A 27 ALA middle . . 28 A 28 LYS middle . . 29 A 29 VAL middle . . 30 A 30 SER middle . . 31 A 31 THR middle . . 32 A 32 LYS middle . . 33 A 33 ILE middle . . 34 A 34 VAL middle . . 35 A 35 SER middle . . 36 A 36 GLY middle . false 37 A 37 LYS middle . . 38 A 38 THR middle . . 39 A 39 GLY middle . false 40 A 40 ASN middle . . 41 A 41 GLY middle . false 42 A 42 MET middle . . 43 A 43 GLU middle . . 44 A 44 VAL middle . . 45 A 45 SER middle . . 46 A 46 TYR middle . . 47 A 47 THR middle . . 48 A 48 GLY middle . false 49 A 49 THR middle . . 50 A 50 THR middle . . 51 A 51 ASP middle . . 52 A 52 GLY middle . false 53 A 53 TYR middle . . 54 A 54 TRP middle . . 55 A 55 GLY middle . false 56 A 56 THR middle . . 57 A 57 VAL middle . . 58 A 58 TYR middle . . 59 A 59 SER middle . . 60 A 60 LEU middle . . 61 A 61 PRO middle . false 62 A 62 ASP middle . . 63 A 63 GLY middle . false 64 A 64 ASP middle . . 65 A 65 TRP middle . . 66 A 66 SER middle . . 67 A 67 LYS middle . . 68 A 68 TRP middle . . 69 A 69 LEU middle . . 70 A 70 LYS middle . . 71 A 71 ILE middle . . 72 A 72 SER middle . . 73 A 73 PHE middle . . 74 A 74 ASP middle . . 75 A 75 ILE middle . . 76 A 76 LYS middle . . 77 A 77 SER middle . . 78 A 78 VAL middle . . 79 A 79 ASP middle . . 80 A 80 GLY middle . false 81 A 81 SER middle . . 82 A 82 ALA middle . . 83 A 83 ASN middle . . 84 A 84 GLU middle . . 85 A 85 ILE middle . . 86 A 86 ARG middle . . 87 A 87 PHE middle . . 88 A 88 MET middle . . 89 A 89 ILE middle . . 90 A 90 ALA middle . . 91 A 91 GLU middle . . 92 A 92 LYS middle . . 93 A 93 SER middle . . 94 A 94 ILE middle . . 95 A 95 ASN middle . . 96 A 96 GLY middle . false 97 A 97 VAL middle . . 98 A 98 GLY middle . false 99 A 99 ASP middle . . 100 A 100 GLY middle . false 101 A 101 GLU middle . . 102 A 102 HIS middle . . 103 A 103 TRP middle . . 104 A 104 VAL middle . . 105 A 105 TYR middle . . 106 A 106 SER middle . . 107 A 107 ILE middle . . 108 A 108 THR middle . . 109 A 109 PRO middle . false 110 A 110 ASP middle . . 111 A 111 SER middle . . 112 A 112 SER middle . . 113 A 113 TRP middle . . 114 A 114 LYS middle . . 115 A 115 THR middle . . 116 A 116 ILE middle . . 117 A 117 GLU middle . . 118 A 118 ILE middle . . 119 A 119 PRO middle . false 120 A 120 PHE middle . . 121 A 121 SER middle . . 122 A 122 SER middle . . 123 A 123 PHE middle . . 124 A 124 ARG middle . . 125 A 125 ARG middle . . 126 A 126 ARG middle . . 127 A 127 LEU middle . . 128 A 128 ASP middle . . 129 A 129 TYR middle . . 130 A 130 GLN middle . . 131 A 131 PRO middle . false 132 A 132 PRO middle . false 133 A 133 GLY middle . false 134 A 134 GLN middle . . 135 A 135 ASP middle . . 136 A 136 MET middle . . 137 A 137 SER middle . . 138 A 138 GLY middle . false 139 A 139 THR middle . . 140 A 140 LEU middle . . 141 A 141 ASP middle . . 142 A 142 LEU middle . . 143 A 143 ASP middle . . 144 A 144 ASN middle . . 145 A 145 ILE middle . . 146 A 146 ASP middle . . 147 A 147 SER middle . . 148 A 148 ILE middle . . 149 A 149 HIS middle . . 150 A 150 PHE middle . . 151 A 151 MET middle . . 152 A 152 TYR middle . . 153 A 153 ALA middle . . 154 A 154 ASN middle . . 155 A 155 ASN middle . . 156 A 156 LYS middle . . 157 A 157 SER middle . . 158 A 158 GLY middle . false 159 A 159 LYS middle . . 160 A 160 PHE middle . . 161 A 161 VAL middle . . 162 A 162 VAL middle . . 163 A 163 ASP middle . . 164 A 164 ASN middle . . 165 A 165 ILE middle . . 166 A 166 LYS middle . . 167 A 167 LEU middle . . 168 A 168 ILE middle . . 169 A 169 GLY middle . false 170 A 170 ALA middle . . 171 A 171 LEU middle . . 172 A 172 GLU end . . 173 B 1 CA . . . 174 B 2 CA . . . 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 2 ALA H H 1 9.493 0.020 A 2 ALA HA H 1 4.038 0.020 A 2 ALA HB% H 1 1.047 0.020 A 2 ALA C C 13 173.886 0.300 A 2 ALA CA C 13 48.021 0.300 A 2 ALA CB C 13 19.688 0.300 A 2 ALA N N 15 118.911 0.300 A 5 VAL H H 1 7.656 0.020 A 5 VAL HA H 1 4.069 0.020 A 5 VAL HB H 1 2.039 0.020 A 5 VAL HGx% H 1 0.898 0.020 A 5 VAL C C 13 173.798 0.300 A 5 VAL CA C 13 59.682 0.300 A 5 VAL CB C 13 29.997 0.300 A 5 VAL CGx C 13 17.063 0.300 A 5 VAL CGy C 13 18.321 0.300 A 5 VAL N N 15 119.415 0.300 A 6 GLY H H 1 8.680 0.020 A 6 GLY HAx H 1 4.021 0.020 A 6 GLY HAy H 1 4.164 0.020 A 6 GLY C C 13 170.516 0.300 A 6 GLY CA C 13 43.067 0.300 A 6 GLY N N 15 112.487 0.300 A 7 GLU H H 1 7.947 0.020 A 7 GLU HA H 1 5.244 0.020 A 7 GLU HBx H 1 1.760 0.020 A 7 GLU HBy H 1 1.960 0.020 A 7 GLU HGx H 1 2.112 0.020 A 7 GLU HGy H 1 2.112 0.020 A 7 GLU C C 13 172.529 0.300 A 7 GLU CA C 13 52.023 0.300 A 7 GLU CB C 13 31.125 0.300 A 7 GLU CG C 13 32.460 0.300 A 7 GLU N N 15 117.326 0.300 A 8 LYS H H 1 8.231 0.020 A 8 LYS HA H 1 4.168 0.020 A 8 LYS HBy H 1 1.310 0.020 A 8 LYS HBx H 1 1.169 0.020 A 8 LYS HDx H 1 0.774 0.020 A 8 LYS HDy H 1 0.774 0.020 A 8 LYS HEx H 1 2.864 0.020 A 8 LYS HEy H 1 2.864 0.020 A 8 LYS HGx H 1 1.487 0.020 A 8 LYS HGy H 1 1.639 0.020 A 8 LYS C C 13 171.730 0.300 A 8 LYS CA C 13 52.385 0.300 A 8 LYS CB C 13 32.800 0.300 A 8 LYS CD C 13 21.932 0.300 A 8 LYS CE C 13 39.452 0.300 A 8 LYS CG C 13 26.816 0.300 A 8 LYS N N 15 122.590 0.300 A 9 MET H H 1 8.911 0.020 A 9 MET HA H 1 4.307 0.020 A 9 MET HBx H 1 1.909 0.020 A 9 MET HBy H 1 2.039 0.020 A 9 MET HGx H 1 1.255 0.020 A 9 MET HGy H 1 1.331 0.020 A 9 MET C C 13 172.803 0.300 A 9 MET CA C 13 52.889 0.300 A 9 MET CB C 13 27.937 0.300 A 9 MET CG C 13 26.813 0.300 A 9 MET N N 15 128.561 0.300 A 10 LEU H H 1 9.648 0.020 A 10 LEU HA H 1 4.529 0.020 A 10 LEU HBx H 1 1.218 0.020 A 10 LEU HBy H 1 1.655 0.020 A 10 LEU HDx% H 1 0.795 0.020 A 10 LEU HG H 1 1.492 0.020 A 10 LEU C C 13 174.825 0.300 A 10 LEU CA C 13 53.397 0.300 A 10 LEU CB C 13 40.054 0.300 A 10 LEU CDx C 13 20.051 0.300 A 10 LEU CG C 13 24.105 0.300 A 10 LEU N N 15 129.819 0.300 A 11 ASP H H 1 7.998 0.020 A 11 ASP HA H 1 4.544 0.020 A 11 ASP HBx H 1 2.199 0.020 A 11 ASP HBy H 1 2.366 0.020 A 11 ASP C C 13 170.600 0.300 A 11 ASP CA C 13 53.030 0.300 A 11 ASP CB C 13 39.845 0.300 A 11 ASP N N 15 115.392 0.300 A 12 ASP H H 1 7.883 0.020 A 12 ASP HA H 1 4.660 0.020 A 12 ASP HBx H 1 2.799 0.020 A 12 ASP HBy H 1 3.666 0.020 A 12 ASP C C 13 174.882 0.300 A 12 ASP CA C 13 50.115 0.300 A 12 ASP CB C 13 37.821 0.300 A 12 ASP N N 15 124.013 0.300 A 13 PHE H H 1 9.163 0.020 A 13 PHE HA H 1 4.053 0.020 A 13 PHE HBx H 1 3.022 0.020 A 13 PHE HBy H 1 3.144 0.020 A 13 PHE HDx H 1 7.182 0.020 A 13 PHE HDy H 1 7.182 0.020 A 13 PHE HEx H 1 6.968 0.020 A 13 PHE HEy H 1 6.968 0.020 A 13 PHE C C 13 171.859 0.300 A 13 PHE CA C 13 58.666 0.300 A 13 PHE CB C 13 31.854 0.300 A 13 PHE N N 15 117.201 0.300 A 14 GLU H H 1 7.999 0.020 A 14 GLU HA H 1 4.851 0.020 A 14 GLU HBx H 1 1.666 0.020 A 14 GLU HBy H 1 2.277 0.020 A 14 GLU HGx H 1 2.160 0.020 A 14 GLU HGy H 1 2.314 0.020 A 14 GLU C C 13 175.090 0.300 A 14 GLU CA C 13 51.695 0.300 A 14 GLU CB C 13 24.660 0.300 A 14 GLU CG C 13 31.845 0.300 A 14 GLU N N 15 112.860 0.300 A 15 GLY H H 1 7.933 0.020 A 15 GLY HAx H 1 3.645 0.020 A 15 GLY HAy H 1 4.508 0.020 A 15 GLY C C 13 171.456 0.300 A 15 GLY CA C 13 41.552 0.300 A 15 GLY N N 15 110.114 0.300 A 16 VAL H H 1 8.122 0.020 A 16 VAL HA H 1 4.038 0.020 A 16 VAL HB H 1 2.051 0.020 A 16 VAL HGx% H 1 0.927 0.020 A 16 VAL HGy% H 1 0.897 0.020 A 16 VAL C C 13 172.975 0.300 A 16 VAL CA C 13 59.093 0.300 A 16 VAL CB C 13 29.945 0.300 A 16 VAL CGy C 13 18.384 0.300 A 16 VAL CGx C 13 17.095 0.300 A 16 VAL N N 15 121.850 0.300 A 17 LEU H H 1 8.406 0.020 A 17 LEU HA H 1 4.663 0.020 A 17 LEU HBx H 1 1.522 0.020 A 17 LEU HBy H 1 2.037 0.020 A 17 LEU HDx% H 1 0.988 0.020 A 17 LEU HDy% H 1 1.186 0.020 A 17 LEU HG H 1 1.717 0.020 A 17 LEU C C 13 174.567 0.300 A 17 LEU CA C 13 52.524 0.300 A 17 LEU CB C 13 38.660 0.300 A 17 LEU CDy C 13 17.668 0.300 A 17 LEU CDx C 13 11.493 0.300 A 17 LEU CG C 13 22.714 0.300 A 17 LEU N N 15 124.314 0.300 A 18 ASN H H 1 9.816 0.020 A 18 ASN HA H 1 4.871 0.020 A 18 ASN HBx H 1 2.199 0.020 A 18 ASN HBy H 1 2.422 0.020 A 18 ASN HD2y H 1 7.207 0.020 A 18 ASN HD2x H 1 6.680 0.020 A 18 ASN C C 13 171.344 0.300 A 18 ASN CA C 13 50.842 0.300 A 18 ASN CB C 13 36.763 0.300 A 18 ASN CG C 13 173.707 0.300 A 18 ASN N N 15 127.412 0.300 A 18 ASN ND2 N 15 113.034 0.300 A 19 TRP H H 1 6.885 0.020 A 19 TRP HA H 1 4.839 0.020 A 19 TRP HBx H 1 2.834 0.020 A 19 TRP HBy H 1 3.489 0.020 A 19 TRP HD1 H 1 7.428 0.020 A 19 TRP HE1 H 1 10.708 0.020 A 19 TRP HE3 H 1 7.865 0.020 A 19 TRP HH2 H 1 6.673 0.020 A 19 TRP HZ2 H 1 7.312 0.020 A 19 TRP HZ3 H 1 7.080 0.020 A 19 TRP C C 13 174.849 0.300 A 19 TRP CA C 13 55.103 0.300 A 19 TRP CB C 13 27.089 0.300 A 19 TRP CD1 C 13 124.174 0.300 A 19 TRP CE3 C 13 119.405 0.300 A 19 TRP CZ2 C 13 110.444 0.300 A 19 TRP CZ3 C 13 121.004 0.300 A 19 TRP N N 15 119.781 0.300 A 19 TRP NE1 N 15 133.691 0.300 A 20 GLY H H 1 9.462 0.020 A 20 GLY HAx H 1 3.959 0.020 A 20 GLY HAy H 1 4.716 0.020 A 20 GLY C C 13 171.151 0.300 A 20 GLY CA C 13 40.888 0.300 A 20 GLY N N 15 113.314 0.300 A 21 SER H H 1 8.859 0.020 A 21 SER HA H 1 5.475 0.020 A 21 SER HBx H 1 3.936 0.020 A 21 SER HBy H 1 4.018 0.020 A 21 SER C C 13 170.160 0.300 A 21 SER CA C 13 55.822 0.300 A 21 SER CB C 13 63.809 0.300 A 21 SER N N 15 115.038 0.300 A 22 TYR H H 1 8.649 0.020 A 22 TYR HA H 1 5.101 0.020 A 22 TYR HBx H 1 3.087 0.020 A 22 TYR HBy H 1 3.130 0.020 A 22 TYR HDx H 1 6.771 0.020 A 22 TYR HDy H 1 6.771 0.020 A 22 TYR HEx H 1 6.622 0.020 A 22 TYR HEy H 1 6.622 0.020 A 22 TYR HH H 1 6.955 0.020 A 22 TYR C C 13 170.458 0.300 A 22 TYR CA C 13 53.421 0.300 A 22 TYR CB C 13 37.562 0.300 A 22 TYR CDy C 13 131.579 0.300 A 22 TYR CEy C 13 114.545 0.300 A 22 TYR N N 15 118.021 0.300 A 23 SER H H 1 8.313 0.020 A 23 SER HA H 1 4.678 0.020 A 23 SER HBx H 1 3.762 0.020 A 23 SER HBy H 1 4.165 0.020 A 23 SER C C 13 169.706 0.300 A 23 SER CA C 13 55.522 0.300 A 23 SER CB C 13 62.032 0.300 A 23 SER N N 15 109.482 0.300 A 24 GLY H H 1 7.126 0.020 A 24 GLY HAx H 1 3.427 0.020 A 24 GLY HAy H 1 4.165 0.020 A 24 GLY C C 13 170.001 0.300 A 24 GLY CA C 13 42.577 0.300 A 24 GLY N N 15 103.259 0.300 A 25 GLU H H 1 8.893 0.020 A 25 GLU HA H 1 3.900 0.020 A 25 GLU HBx H 1 1.768 0.020 A 25 GLU HBy H 1 2.086 0.020 A 25 GLU HGx H 1 2.172 0.020 A 25 GLU HGy H 1 2.357 0.020 A 25 GLU C C 13 173.537 0.300 A 25 GLU CA C 13 53.365 0.300 A 25 GLU CB C 13 24.862 0.300 A 25 GLU CG C 13 32.710 0.300 A 25 GLU N N 15 116.189 0.300 A 26 GLY H H 1 8.354 0.020 A 26 GLY HAx H 1 3.457 0.020 A 26 GLY HAy H 1 4.190 0.020 A 26 GLY C C 13 171.415 0.300 A 26 GLY CA C 13 42.936 0.300 A 26 GLY N N 15 106.643 0.300 A 27 ALA H H 1 6.985 0.020 A 27 ALA HA H 1 4.460 0.020 A 27 ALA HB% H 1 1.534 0.020 A 27 ALA C C 13 174.027 0.300 A 27 ALA CA C 13 49.327 0.300 A 27 ALA CB C 13 17.239 0.300 A 27 ALA N N 15 123.381 0.300 A 28 LYS H H 1 8.514 0.020 A 28 LYS HA H 1 4.670 0.020 A 28 LYS HBx H 1 1.470 0.020 A 28 LYS HBy H 1 1.717 0.020 A 28 LYS HDx H 1 1.563 0.020 A 28 LYS HDy H 1 1.563 0.020 A 28 LYS HEx H 1 2.827 0.020 A 28 LYS HEy H 1 2.827 0.020 A 28 LYS HGx H 1 1.250 0.020 A 28 LYS HGy H 1 1.250 0.020 A 28 LYS C C 13 171.111 0.300 A 28 LYS CA C 13 52.179 0.300 A 28 LYS CB C 13 34.430 0.300 A 28 LYS CD C 13 26.184 0.300 A 28 LYS CE C 13 39.240 0.300 A 28 LYS CG C 13 21.623 0.300 A 28 LYS N N 15 117.403 0.300 A 29 VAL H H 1 8.222 0.020 A 29 VAL HA H 1 5.059 0.020 A 29 VAL HB H 1 1.981 0.020 A 29 VAL HGx% H 1 0.694 0.020 A 29 VAL HGy% H 1 1.053 0.020 A 29 VAL C C 13 169.490 0.300 A 29 VAL CA C 13 56.865 0.300 A 29 VAL CB C 13 31.220 0.300 A 29 VAL CGy C 13 20.040 0.300 A 29 VAL CGx C 13 16.755 0.300 A 29 VAL N N 15 117.856 0.300 A 30 SER H H 1 8.616 0.020 A 30 SER HA H 1 4.782 0.020 A 30 SER HBx H 1 3.690 0.020 A 30 SER HBy H 1 3.690 0.020 A 30 SER C C 13 170.056 0.300 A 30 SER CA C 13 54.210 0.300 A 30 SER CB C 13 62.973 0.300 A 30 SER N N 15 120.606 0.300 A 31 THR H H 1 8.289 0.020 A 31 THR HA H 1 5.458 0.020 A 31 THR HB H 1 3.915 0.020 A 31 THR HG2% H 1 1.082 0.020 A 31 THR C C 13 171.658 0.300 A 31 THR CA C 13 55.997 0.300 A 31 THR CB C 13 69.505 0.300 A 31 THR CG2 C 13 19.186 0.300 A 31 THR N N 15 112.519 0.300 A 32 LYS H H 1 8.338 0.020 A 32 LYS HA H 1 4.516 0.020 A 32 LYS HBx H 1 1.625 0.020 A 32 LYS HBy H 1 1.725 0.020 A 32 LYS HDx H 1 1.479 0.020 A 32 LYS HDy H 1 1.721 0.020 A 32 LYS HEx H 1 2.777 0.020 A 32 LYS HEy H 1 2.777 0.020 A 32 LYS HGx H 1 1.146 0.020 A 32 LYS HGy H 1 1.280 0.020 A 32 LYS C C 13 171.474 0.300 A 32 LYS CA C 13 52.702 0.300 A 32 LYS CB C 13 33.801 0.300 A 32 LYS CD C 13 26.341 0.300 A 32 LYS CE C 13 39.251 0.300 A 32 LYS CG C 13 21.309 0.300 A 32 LYS N N 15 119.281 0.300 A 33 ILE H H 1 8.600 0.020 A 33 ILE HA H 1 4.784 0.020 A 33 ILE HB H 1 1.935 0.020 A 33 ILE HD1% H 1 0.897 0.020 A 33 ILE HG1x H 1 1.483 0.020 A 33 ILE HG1y H 1 1.640 0.020 A 33 ILE HG2% H 1 1.006 0.020 A 33 ILE C C 13 173.484 0.300 A 33 ILE CA C 13 57.117 0.300 A 33 ILE CB C 13 33.215 0.300 A 33 ILE CD1 C 13 7.663 0.300 A 33 ILE CG1 C 13 24.218 0.300 A 33 ILE CG2 C 13 14.626 0.300 A 33 ILE N N 15 124.191 0.300 A 34 VAL H H 1 8.290 0.020 A 34 VAL HA H 1 4.634 0.020 A 34 VAL HB H 1 2.301 0.020 A 34 VAL HGx% H 1 0.673 0.020 A 34 VAL HGy% H 1 0.546 0.020 A 34 VAL C C 13 172.431 0.300 A 34 VAL CA C 13 56.386 0.300 A 34 VAL CB C 13 33.771 0.300 A 34 VAL CGy C 13 19.500 0.300 A 34 VAL CGx C 13 16.277 0.300 A 34 VAL N N 15 121.673 0.300 A 35 SER H H 1 8.211 0.020 A 35 SER HA H 1 4.383 0.020 A 35 SER HBx H 1 3.802 0.020 A 35 SER HBy H 1 3.925 0.020 A 35 SER C C 13 171.802 0.300 A 35 SER CA C 13 58.272 0.300 A 35 SER CB C 13 60.316 0.300 A 35 SER N N 15 115.567 0.300 A 36 GLY H H 1 9.139 0.020 A 36 GLY HAx H 1 2.808 0.020 A 36 GLY HAy H 1 4.332 0.020 A 36 GLY C C 13 170.141 0.300 A 36 GLY CA C 13 40.427 0.300 A 36 GLY N N 15 113.901 0.300 A 37 LYS H H 1 8.397 0.020 A 37 LYS HA H 1 3.157 0.020 A 37 LYS HBx H 1 -0.578 0.020 A 37 LYS HBy H 1 0.891 0.020 A 37 LYS HDx H 1 0.464 0.020 A 37 LYS HDy H 1 0.655 0.020 A 37 LYS HEx H 1 2.501 0.020 A 37 LYS HEy H 1 2.501 0.020 A 37 LYS HGx H 1 0.307 0.020 A 37 LYS HGy H 1 0.747 0.020 A 37 LYS C C 13 174.767 0.300 A 37 LYS CA C 13 55.258 0.300 A 37 LYS CB C 13 29.133 0.300 A 37 LYS CD C 13 24.997 0.300 A 37 LYS CE C 13 39.297 0.300 A 37 LYS CG C 13 21.222 0.300 A 37 LYS N N 15 129.295 0.300 A 38 THR H H 1 7.329 0.020 A 38 THR HA H 1 4.187 0.020 A 38 THR HB H 1 4.050 0.020 A 38 THR HG2% H 1 1.015 0.020 A 38 THR C C 13 171.554 0.300 A 38 THR CA C 13 56.978 0.300 A 38 THR CB C 13 67.587 0.300 A 38 THR CG2 C 13 19.186 0.300 A 38 THR N N 15 109.702 0.300 A 39 GLY HAx H 1 4.174 0.020 A 39 GLY HAy H 1 4.331 0.020 A 39 GLY C C 13 172.157 0.300 A 39 GLY CA C 13 43.730 0.300 A 40 ASN H H 1 10.806 0.020 A 40 ASN HA H 1 5.328 0.020 A 40 ASN HBx H 1 2.799 0.020 A 40 ASN HBy H 1 3.016 0.020 A 40 ASN HD2y H 1 7.408 0.020 A 40 ASN HD2x H 1 6.864 0.020 A 40 ASN C C 13 173.472 0.300 A 40 ASN CA C 13 50.075 0.300 A 40 ASN CB C 13 37.921 0.300 A 40 ASN CG C 13 173.410 0.300 A 40 ASN N N 15 129.447 0.300 A 40 ASN ND2 N 15 112.130 0.300 A 41 GLY H H 1 9.527 0.020 A 41 GLY HAx H 1 3.102 0.020 A 41 GLY HAy H 1 4.301 0.020 A 41 GLY C C 13 166.402 0.300 A 41 GLY CA C 13 41.543 0.300 A 41 GLY N N 15 111.071 0.300 A 42 MET H H 1 7.365 0.020 A 42 MET HA H 1 4.664 0.020 A 42 MET HBx H 1 0.648 0.020 A 42 MET HBy H 1 0.736 0.020 A 42 MET HGy H 1 1.606 0.020 A 42 MET HGx H 1 1.507 0.020 A 42 MET C C 13 170.893 0.300 A 42 MET CA C 13 51.269 0.300 A 42 MET CB C 13 33.077 0.300 A 42 MET CG C 13 28.149 0.300 A 42 MET N N 15 118.852 0.300 A 43 GLU H H 1 9.209 0.020 A 43 GLU HA H 1 4.660 0.020 A 43 GLU HBy H 1 1.718 0.020 A 43 GLU HBx H 1 1.537 0.020 A 43 GLU HGx H 1 1.371 0.020 A 43 GLU HGy H 1 1.826 0.020 A 43 GLU C C 13 172.450 0.300 A 43 GLU CA C 13 51.351 0.300 A 43 GLU CB C 13 30.098 0.300 A 43 GLU CG C 13 39.450 0.300 A 43 GLU N N 15 128.010 0.300 A 44 VAL H H 1 8.875 0.020 A 44 VAL HA H 1 4.158 0.020 A 44 VAL HB H 1 0.066 0.020 A 44 VAL HGx% H 1 0.204 0.020 A 44 VAL HGy% H 1 0.370 0.020 A 44 VAL C C 13 171.459 0.300 A 44 VAL CA C 13 58.082 0.300 A 44 VAL CB C 13 28.634 0.300 A 44 VAL CGy C 13 19.130 0.300 A 44 VAL CGx C 13 18.248 0.300 A 44 VAL N N 15 131.323 0.300 A 45 SER H H 1 8.367 0.020 A 45 SER HA H 1 4.765 0.020 A 45 SER HBx H 1 3.408 0.020 A 45 SER HBy H 1 3.524 0.020 A 45 SER C C 13 170.275 0.300 A 45 SER CA C 13 53.422 0.300 A 45 SER CB C 13 61.255 0.300 A 45 SER N N 15 120.580 0.300 A 46 TYR H H 1 8.334 0.020 A 46 TYR HA H 1 5.102 0.020 A 46 TYR HBx H 1 0.883 0.020 A 46 TYR HBy H 1 0.883 0.020 A 46 TYR HDx H 1 6.014 0.020 A 46 TYR HDy H 1 6.014 0.020 A 46 TYR HEx H 1 6.646 0.020 A 46 TYR HEy H 1 6.646 0.020 A 46 TYR C C 13 171.426 0.300 A 46 TYR CA C 13 52.054 0.300 A 46 TYR CB C 13 37.217 0.300 A 46 TYR CDx C 13 131.329 0.300 A 46 TYR CEx C 13 111.897 0.300 A 46 TYR N N 15 123.307 0.300 A 47 THR H H 1 8.787 0.020 A 47 THR HA H 1 4.588 0.020 A 47 THR HB H 1 3.818 0.020 A 47 THR HG2% H 1 1.107 0.020 A 47 THR C C 13 171.383 0.300 A 47 THR CA C 13 57.858 0.300 A 47 THR CB C 13 68.591 0.300 A 47 THR CG2 C 13 18.280 0.300 A 47 THR N N 15 118.464 0.300 A 48 GLY H H 1 7.539 0.020 A 48 GLY HAx H 1 3.701 0.020 A 48 GLY HAy H 1 4.662 0.020 A 48 GLY C C 13 170.390 0.300 A 48 GLY CA C 13 42.053 0.300 A 48 GLY N N 15 112.382 0.300 A 49 THR H H 1 7.897 0.020 A 49 THR HA H 1 4.706 0.020 A 49 THR HB H 1 4.503 0.020 A 49 THR HG2% H 1 0.959 0.020 A 49 THR C C 13 172.345 0.300 A 49 THR CA C 13 57.111 0.300 A 49 THR CB C 13 69.501 0.300 A 49 THR CG2 C 13 20.247 0.300 A 49 THR N N 15 106.661 0.300 A 50 THR H H 1 8.739 0.020 A 50 THR HA H 1 3.909 0.020 A 50 THR HB H 1 4.085 0.020 A 50 THR HG2% H 1 1.236 0.020 A 50 THR C C 13 172.491 0.300 A 50 THR CA C 13 64.451 0.300 A 50 THR CB C 13 66.225 0.300 A 50 THR CG2 C 13 19.273 0.300 A 50 THR N N 15 118.387 0.300 A 51 ASP H H 1 8.562 0.020 A 51 ASP HA H 1 4.800 0.020 A 51 ASP HBx H 1 2.582 0.020 A 51 ASP HBy H 1 2.834 0.020 A 51 ASP C C 13 172.713 0.300 A 51 ASP CA C 13 52.027 0.300 A 51 ASP CB C 13 38.434 0.300 A 51 ASP N N 15 117.881 0.300 A 52 GLY H H 1 7.486 0.020 A 52 GLY HAx H 1 3.559 0.020 A 52 GLY HAy H 1 4.160 0.020 A 52 GLY C C 13 169.555 0.300 A 52 GLY CA C 13 42.765 0.300 A 52 GLY N N 15 107.214 0.300 A 53 TYR H H 1 6.745 0.020 A 53 TYR HA H 1 3.384 0.020 A 53 TYR HBx H 1 2.199 0.020 A 53 TYR HBy H 1 2.199 0.020 A 53 TYR HDx H 1 7.102 0.020 A 53 TYR HDy H 1 7.102 0.020 A 53 TYR HEx H 1 6.691 0.020 A 53 TYR HEy H 1 6.691 0.020 A 53 TYR C C 13 168.920 0.300 A 53 TYR CA C 13 51.826 0.300 A 53 TYR CB C 13 38.843 0.300 A 53 TYR CDx C 13 129.180 0.300 A 53 TYR CEx C 13 116.053 0.300 A 53 TYR N N 15 112.696 0.300 A 54 TRP H H 1 6.210 0.020 A 54 TRP HA H 1 5.176 0.020 A 54 TRP HBy H 1 3.126 0.020 A 54 TRP HBx H 1 2.916 0.020 A 54 TRP HD1 H 1 6.918 0.020 A 54 TRP HE1 H 1 10.864 0.020 A 54 TRP HE3 H 1 6.472 0.020 A 54 TRP HZ2 H 1 6.193 0.020 A 54 TRP HZ3 H 1 6.681 0.020 A 54 TRP C C 13 170.886 0.300 A 54 TRP CA C 13 52.083 0.300 A 54 TRP CB C 13 29.623 0.300 A 54 TRP CD1 C 13 123.402 0.300 A 54 TRP CE3 C 13 120.254 0.300 A 54 TRP CZ2 C 13 112.490 0.300 A 54 TRP N N 15 112.565 0.300 A 54 TRP NE1 N 15 133.318 0.300 A 55 GLY H H 1 8.512 0.020 A 55 GLY HAx H 1 3.692 0.020 A 55 GLY HAy H 1 4.728 0.020 A 55 GLY C C 13 167.661 0.300 A 55 GLY CA C 13 43.201 0.300 A 55 GLY N N 15 108.401 0.300 A 56 THR H H 1 9.346 0.020 A 56 THR HA H 1 5.692 0.020 A 56 THR HB H 1 4.175 0.020 A 56 THR HG2% H 1 1.455 0.020 A 56 THR C C 13 170.091 0.300 A 56 THR CA C 13 56.843 0.300 A 56 THR CB C 13 68.755 0.300 A 56 THR CG2 C 13 18.396 0.300 A 56 THR N N 15 113.411 0.300 A 57 VAL H H 1 8.773 0.020 A 57 VAL HA H 1 5.286 0.020 A 57 VAL HB H 1 1.605 0.020 A 57 VAL HGx% H 1 0.175 0.020 A 57 VAL HGy% H 1 0.860 0.020 A 57 VAL C C 13 168.948 0.300 A 57 VAL CA C 13 55.687 0.300 A 57 VAL CB C 13 33.066 0.300 A 57 VAL CGy C 13 18.812 0.300 A 57 VAL CGx C 13 14.626 0.300 A 57 VAL N N 15 123.444 0.300 A 58 TYR H H 1 8.446 0.020 A 58 TYR HA H 1 4.399 0.020 A 58 TYR HBx H 1 -0.024 0.020 A 58 TYR HBy H 1 1.677 0.020 A 58 TYR HDx H 1 6.406 0.020 A 58 TYR HDy H 1 6.406 0.020 A 58 TYR HEx H 1 6.568 0.020 A 58 TYR HEy H 1 6.568 0.020 A 58 TYR C C 13 171.811 0.300 A 58 TYR CA C 13 50.946 0.300 A 58 TYR CB C 13 34.494 0.300 A 58 TYR CDy C 13 128.789 0.300 A 58 TYR CEy C 13 114.648 0.300 A 58 TYR N N 15 130.962 0.300 A 59 SER H H 1 8.134 0.020 A 59 SER HA H 1 4.106 0.020 A 59 SER HBx H 1 3.473 0.020 A 59 SER HBy H 1 3.626 0.020 A 59 SER C C 13 170.628 0.300 A 59 SER CA C 13 55.201 0.300 A 59 SER CB C 13 59.629 0.300 A 59 SER N N 15 122.943 0.300 A 60 LEU H H 1 7.663 0.020 A 60 LEU HA H 1 3.962 0.020 A 60 LEU HBx H 1 1.174 0.020 A 60 LEU HBy H 1 1.174 0.020 A 60 LEU HDx% H 1 0.799 0.020 A 60 LEU HDy% H 1 0.638 0.020 A 60 LEU HG H 1 1.394 0.020 A 60 LEU C C 13 174.212 0.300 A 60 LEU CA C 13 49.918 0.300 A 60 LEU CB C 13 39.095 0.300 A 60 LEU CDx C 13 19.741 0.300 A 60 LEU CDy C 13 20.735 0.300 A 60 LEU CG C 13 24.139 0.300 A 60 LEU N N 15 127.052 0.300 A 61 PRO HA H 1 4.356 0.020 A 61 PRO HBy H 1 2.243 0.020 A 61 PRO HBx H 1 1.945 0.020 A 61 PRO HDx H 1 3.742 0.020 A 61 PRO HDy H 1 3.884 0.020 A 61 PRO C C 13 173.235 0.300 A 61 PRO CA C 13 61.138 0.300 A 61 PRO CB C 13 29.071 0.300 A 61 PRO CD C 13 47.975 0.300 A 61 PRO CG C 13 24.436 0.300 A 62 ASP H H 1 6.803 0.020 A 62 ASP HA H 1 4.601 0.020 A 62 ASP HBy H 1 2.712 0.020 A 62 ASP HBx H 1 2.623 0.020 A 62 ASP C C 13 172.630 0.300 A 62 ASP CA C 13 50.488 0.300 A 62 ASP CB C 13 39.854 0.300 A 62 ASP N N 15 115.716 0.300 A 63 GLY H H 1 8.317 0.020 A 63 GLY HAy H 1 3.929 0.020 A 63 GLY HAx H 1 3.688 0.020 A 63 GLY C C 13 170.109 0.300 A 63 GLY CA C 13 42.805 0.300 A 63 GLY N N 15 112.661 0.300 A 64 ASP H H 1 7.648 0.020 A 64 ASP HA H 1 5.097 0.020 A 64 ASP HBx H 1 2.532 0.020 A 64 ASP HBy H 1 3.096 0.020 A 64 ASP C C 13 174.212 0.300 A 64 ASP CA C 13 49.918 0.300 A 64 ASP CB C 13 36.885 0.300 A 64 ASP N N 15 114.863 0.300 A 65 TRP H H 1 9.555 0.020 A 65 TRP HA H 1 5.181 0.020 A 65 TRP HBx H 1 3.079 0.020 A 65 TRP HBy H 1 3.587 0.020 A 65 TRP HD1 H 1 6.605 0.020 A 65 TRP HE1 H 1 9.668 0.020 A 65 TRP HE3 H 1 6.963 0.020 A 65 TRP HZ2 H 1 7.100 0.020 A 65 TRP HZ3 H 1 6.762 0.020 A 65 TRP C C 13 173.655 0.300 A 65 TRP CA C 13 51.834 0.300 A 65 TRP CB C 13 26.485 0.300 A 65 TRP CD1 C 13 118.873 0.300 A 65 TRP CE3 C 13 121.052 0.300 A 65 TRP CZ2 C 13 111.642 0.300 A 65 TRP CZ3 C 13 117.140 0.300 A 65 TRP N N 15 130.890 0.300 A 65 TRP NE1 N 15 125.070 0.300 A 66 SER H H 1 8.376 0.020 A 66 SER HA H 1 3.824 0.020 A 66 SER HBy H 1 3.648 0.020 A 66 SER HBx H 1 3.486 0.020 A 66 SER CA C 13 59.471 0.300 A 66 SER CB C 13 60.352 0.300 A 66 SER N N 15 113.932 0.300 A 67 LYS C C 13 172.533 0.300 A 68 TRP H H 1 7.864 0.020 A 68 TRP HA H 1 4.920 0.020 A 68 TRP HBx H 1 3.085 0.020 A 68 TRP HBy H 1 3.287 0.020 A 68 TRP HD1 H 1 6.758 0.020 A 68 TRP C C 13 171.727 0.300 A 68 TRP CA C 13 53.278 0.300 A 68 TRP CB C 13 33.263 0.300 A 68 TRP CG C 13 27.382 0.300 A 68 TRP N N 15 121.153 0.300 A 69 LEU C C 13 175.012 0.300 A 69 LEU CA C 13 53.408 0.300 A 69 LEU CB C 13 43.978 0.300 A 70 LYS H H 1 8.154 0.020 A 70 LYS HA H 1 4.200 0.020 A 70 LYS HBy H 1 1.242 0.020 A 70 LYS HBx H 1 1.177 0.020 A 70 LYS HDx H 1 1.247 0.020 A 70 LYS HDy H 1 1.319 0.020 A 70 LYS HGx H 1 1.033 0.020 A 70 LYS HGy H 1 1.033 0.020 A 70 LYS C C 13 169.739 0.300 A 70 LYS CA C 13 50.494 0.300 A 70 LYS CB C 13 34.661 0.300 A 70 LYS CD C 13 27.835 0.300 A 70 LYS CE C 13 39.236 0.300 A 70 LYS CG C 13 21.623 0.300 A 70 LYS N N 15 117.211 0.300 A 71 ILE H H 1 7.637 0.020 A 71 ILE HA H 1 5.020 0.020 A 71 ILE HB H 1 1.554 0.020 A 71 ILE HD1% H 1 0.420 0.020 A 71 ILE HG1y H 1 1.154 0.020 A 71 ILE HG1x H 1 1.090 0.020 A 71 ILE HG2% H 1 1.133 0.020 A 71 ILE C C 13 169.064 0.300 A 71 ILE CA C 13 55.070 0.300 A 71 ILE CB C 13 39.510 0.300 A 71 ILE CG1 C 13 13.266 0.300 A 71 ILE CG2 C 13 26.498 0.300 A 71 ILE N N 15 118.421 0.300 A 72 SER H H 1 9.067 0.020 A 72 SER HA H 1 5.685 0.020 A 72 SER HBx H 1 3.293 0.020 A 72 SER HBy H 1 3.293 0.020 A 72 SER C C 13 170.043 0.300 A 72 SER CA C 13 52.116 0.300 A 72 SER CB C 13 63.663 0.300 A 72 SER N N 15 120.731 0.300 A 73 PHE H H 1 7.912 0.020 A 73 PHE HA H 1 5.145 0.020 A 73 PHE HBx H 1 3.158 0.020 A 73 PHE HBy H 1 3.566 0.020 A 73 PHE HDx H 1 6.745 0.020 A 73 PHE HDy H 1 6.745 0.020 A 73 PHE HEx H 1 6.493 0.020 A 73 PHE HEy H 1 6.493 0.020 A 73 PHE C C 13 170.129 0.300 A 73 PHE CA C 13 53.597 0.300 A 73 PHE CB C 13 38.407 0.300 A 73 PHE CDy C 13 129.704 0.300 A 73 PHE CEy C 13 127.414 0.300 A 73 PHE N N 15 117.217 0.300 A 74 ASP H H 1 8.827 0.020 A 74 ASP HA H 1 5.960 0.020 A 74 ASP HBx H 1 2.261 0.020 A 74 ASP HBy H 1 2.582 0.020 A 74 ASP C C 13 173.482 0.300 A 74 ASP CA C 13 50.670 0.300 A 74 ASP CB C 13 41.225 0.300 A 74 ASP N N 15 119.911 0.300 A 75 ILE H H 1 9.550 0.020 A 75 ILE HA H 1 6.067 0.020 A 75 ILE HB H 1 1.984 0.020 A 75 ILE HD1% H 1 0.525 0.020 A 75 ILE HG1x H 1 0.817 0.020 A 75 ILE HG1y H 1 2.001 0.020 A 75 ILE HG2% H 1 1.016 0.020 A 75 ILE C C 13 171.095 0.300 A 75 ILE CA C 13 57.461 0.300 A 75 ILE CB C 13 41.564 0.300 A 75 ILE CD1 C 13 12.972 0.300 A 75 ILE CG1 C 13 26.798 0.300 A 75 ILE N N 15 121.069 0.300 A 76 LYS H H 1 8.274 0.020 A 76 LYS HA H 1 4.633 0.020 A 76 LYS HBx H 1 0.393 0.020 A 76 LYS HBy H 1 0.642 0.020 A 76 LYS HDy H 1 0.472 0.020 A 76 LYS HDx H 1 -0.057 0.020 A 76 LYS HEx H 1 2.193 0.020 A 76 LYS HEy H 1 2.299 0.020 A 76 LYS HGx H 1 0.083 0.020 A 76 LYS HGy H 1 0.308 0.020 A 76 LYS C C 13 172.004 0.300 A 76 LYS CA C 13 53.150 0.300 A 76 LYS CB C 13 32.389 0.300 A 76 LYS CD C 13 25.305 0.300 A 76 LYS CE C 13 38.869 0.300 A 76 LYS CG C 13 19.734 0.300 A 76 LYS N N 15 124.463 0.300 A 77 SER H H 1 9.149 0.020 A 77 SER HA H 1 4.603 0.020 A 77 SER HBx H 1 3.427 0.020 A 77 SER HBy H 1 3.706 0.020 A 77 SER HG H 1 5.151 0.020 A 77 SER C C 13 172.505 0.300 A 77 SER CA C 13 54.728 0.300 A 77 SER CB C 13 61.565 0.300 A 77 SER N N 15 119.033 0.300 A 78 VAL H H 1 7.955 0.020 A 78 VAL HA H 1 4.182 0.020 A 78 VAL HB H 1 1.816 0.020 A 78 VAL HGx% H 1 0.521 0.020 A 78 VAL HGy% H 1 0.678 0.020 A 78 VAL C C 13 172.726 0.300 A 78 VAL CA C 13 59.438 0.300 A 78 VAL CB C 13 29.979 0.300 A 78 VAL CGx C 13 17.771 0.300 A 78 VAL CGy C 13 18.871 0.300 A 78 VAL N N 15 119.790 0.300 A 79 ASP H H 1 8.067 0.020 A 79 ASP HA H 1 4.548 0.020 A 79 ASP HBx H 1 2.347 0.020 A 79 ASP HBy H 1 2.859 0.020 A 79 ASP C C 13 174.036 0.300 A 79 ASP CA C 13 50.812 0.300 A 79 ASP CB C 13 38.852 0.300 A 79 ASP N N 15 119.326 0.300 A 80 GLY H H 1 8.210 0.020 A 80 GLY HAx H 1 3.508 0.020 A 80 GLY HAy H 1 4.090 0.020 A 80 GLY C C 13 171.629 0.300 A 80 GLY CA C 13 42.838 0.300 A 80 GLY N N 15 108.328 0.300 A 81 SER H H 1 8.026 0.020 A 81 SER HA H 1 4.377 0.020 A 81 SER HBx H 1 3.849 0.020 A 81 SER HBy H 1 3.884 0.020 A 81 SER C C 13 171.425 0.300 A 81 SER CA C 13 55.327 0.300 A 81 SER CB C 13 61.781 0.300 A 81 SER N N 15 116.160 0.300 A 82 ALA H H 1 8.575 0.020 A 82 ALA HA H 1 4.808 0.020 A 82 ALA HB% H 1 1.236 0.020 A 82 ALA C C 13 173.052 0.300 A 82 ALA CA C 13 48.797 0.300 A 82 ALA CB C 13 16.231 0.300 A 82 ALA N N 15 128.179 0.300 A 83 ASN H H 1 8.181 0.020 A 83 ASN HA H 1 4.863 0.020 A 83 ASN HBx H 1 2.709 0.020 A 83 ASN HBy H 1 2.709 0.020 A 83 ASN HD2x H 1 7.747 0.020 A 83 ASN C C 13 170.563 0.300 A 83 ASN CA C 13 50.517 0.300 A 83 ASN CB C 13 38.523 0.300 A 83 ASN CG C 13 174.709 0.300 A 83 ASN N N 15 119.957 0.300 A 83 ASN ND2 N 15 115.763 0.300 A 84 GLU H H 1 8.030 0.020 A 84 GLU HA H 1 4.505 0.020 A 84 GLU HBx H 1 1.620 0.020 A 84 GLU HBy H 1 1.780 0.020 A 84 GLU HGx H 1 1.960 0.020 A 84 GLU HGy H 1 2.065 0.020 A 84 GLU C C 13 171.338 0.300 A 84 GLU CA C 13 54.564 0.300 A 84 GLU CB C 13 28.437 0.300 A 84 GLU CG C 13 34.066 0.300 A 84 GLU N N 15 127.466 0.300 A 85 ILE H H 1 8.785 0.020 A 85 ILE HA H 1 4.441 0.020 A 85 ILE HB H 1 2.085 0.020 A 85 ILE HD1% H 1 0.236 0.020 A 85 ILE HG1x H 1 0.768 0.020 A 85 ILE HG1y H 1 1.110 0.020 A 85 ILE HG2% H 1 0.981 0.020 A 85 ILE C C 13 171.646 0.300 A 85 ILE CA C 13 57.923 0.300 A 85 ILE CB C 13 40.072 0.300 A 85 ILE CD1 C 13 12.254 0.300 A 85 ILE CG1 C 13 23.257 0.300 A 85 ILE CG2 C 13 15.897 0.300 A 85 ILE N N 15 117.650 0.300 A 86 ARG H H 1 9.004 0.020 A 86 ARG HA H 1 5.223 0.020 A 86 ARG HBx H 1 1.194 0.020 A 86 ARG HBy H 1 1.429 0.020 A 86 ARG HDx H 1 2.531 0.020 A 86 ARG HDy H 1 3.280 0.020 A 86 ARG HGx H 1 1.725 0.020 A 86 ARG HGy H 1 1.725 0.020 A 86 ARG C C 13 171.571 0.300 A 86 ARG CA C 13 52.830 0.300 A 86 ARG CB C 13 31.905 0.300 A 86 ARG CD C 13 41.035 0.300 A 86 ARG CG C 13 24.769 0.300 A 86 ARG N N 15 116.240 0.300 A 87 PHE H H 1 9.078 0.020 A 87 PHE HA H 1 5.283 0.020 A 87 PHE HBx H 1 2.863 0.020 A 87 PHE HBy H 1 3.020 0.020 A 87 PHE HDx H 1 6.612 0.020 A 87 PHE HDy H 1 6.612 0.020 A 87 PHE HEx H 1 6.997 0.020 A 87 PHE HEy H 1 6.997 0.020 A 87 PHE HZ H 1 7.411 0.020 A 87 PHE C C 13 170.766 0.300 A 87 PHE CA C 13 53.640 0.300 A 87 PHE CB C 13 39.828 0.300 A 87 PHE CDx C 13 129.682 0.300 A 87 PHE CEx C 13 127.245 0.300 A 87 PHE CZ C 13 126.536 0.300 A 87 PHE N N 15 123.240 0.300 A 88 MET H H 1 8.668 0.020 A 88 MET HA H 1 5.645 0.020 A 88 MET HBx H 1 1.457 0.020 A 88 MET HBy H 1 1.584 0.020 A 88 MET HGx H 1 1.989 0.020 A 88 MET HGy H 1 1.989 0.020 A 88 MET C C 13 170.510 0.300 A 88 MET CA C 13 50.807 0.300 A 88 MET CB C 13 37.032 0.300 A 88 MET CG C 13 29.149 0.300 A 88 MET N N 15 129.716 0.300 A 89 ILE H H 1 9.092 0.020 A 89 ILE HA H 1 4.319 0.020 A 89 ILE HB H 1 1.209 0.020 A 89 ILE HD1% H 1 0.264 0.020 A 89 ILE HG1x H 1 1.420 0.020 A 89 ILE HG1y H 1 1.420 0.020 A 89 ILE HG2% H 1 0.516 0.020 A 89 ILE C C 13 170.827 0.300 A 89 ILE CA C 13 57.785 0.300 A 89 ILE CB C 13 38.731 0.300 A 89 ILE CD1 C 13 11.952 0.300 A 89 ILE CG1 C 13 24.733 0.300 A 89 ILE CG2 C 13 15.907 0.300 A 89 ILE N N 15 124.543 0.300 A 90 ALA H H 1 8.586 0.020 A 90 ALA HB% H 1 1.238 0.020 A 90 ALA C C 13 175.845 0.300 A 90 ALA CA C 13 46.613 0.300 A 90 ALA CB C 13 18.115 0.300 A 90 ALA N N 15 128.515 0.300 A 91 GLU H H 1 8.567 0.020 A 91 GLU HA H 1 4.498 0.020 A 91 GLU HBx H 1 2.264 0.020 A 91 GLU HBy H 1 2.377 0.020 A 91 GLU HGx H 1 2.556 0.020 A 91 GLU HGy H 1 2.556 0.020 A 91 GLU C C 13 173.922 0.300 A 91 GLU CA C 13 52.879 0.300 A 91 GLU CB C 13 29.600 0.300 A 91 GLU CG C 13 39.406 0.300 A 91 GLU N N 15 121.430 0.300 A 92 LYS H H 1 7.811 0.020 A 92 LYS HA H 1 4.162 0.020 A 92 LYS HBx H 1 1.520 0.020 A 92 LYS HBy H 1 1.690 0.020 A 92 LYS HDx H 1 1.564 0.020 A 92 LYS HDy H 1 1.703 0.020 A 92 LYS HEx H 1 2.864 0.020 A 92 LYS HEy H 1 2.864 0.020 A 92 LYS HGx H 1 0.981 0.020 A 92 LYS HGy H 1 1.235 0.020 A 92 LYS C C 13 174.625 0.300 A 92 LYS CA C 13 54.194 0.300 A 92 LYS CB C 13 30.310 0.300 A 92 LYS CD C 13 26.184 0.300 A 92 LYS CE C 13 39.402 0.300 A 92 LYS CG C 13 23.196 0.300 A 92 LYS N N 15 117.547 0.300 A 93 SER H H 1 8.003 0.020 A 93 SER HA H 1 3.991 0.020 A 93 SER HBx H 1 3.089 0.020 A 93 SER HBy H 1 3.482 0.020 A 93 SER HG H 1 4.366 0.020 A 93 SER C C 13 174.908 0.300 A 93 SER CA C 13 53.457 0.300 A 93 SER CB C 13 61.280 0.300 A 93 SER N N 15 114.967 0.300 A 94 ILE H H 1 9.066 0.020 A 94 ILE HA H 1 4.213 0.020 A 94 ILE HB H 1 1.953 0.020 A 94 ILE HD1% H 1 0.802 0.020 A 94 ILE HG1x H 1 1.059 0.020 A 94 ILE HG1y H 1 1.202 0.020 A 94 ILE HG2% H 1 0.912 0.020 A 94 ILE C C 13 173.932 0.300 A 94 ILE CA C 13 60.133 0.300 A 94 ILE CB C 13 35.695 0.300 A 94 ILE CD1 C 13 11.245 0.300 A 94 ILE CG1 C 13 23.510 0.300 A 94 ILE CG2 C 13 15.255 0.300 A 94 ILE N N 15 121.963 0.300 A 95 ASN H H 1 8.017 0.020 A 95 ASN HA H 1 4.888 0.020 A 95 ASN HBx H 1 2.549 0.020 A 95 ASN HBy H 1 3.083 0.020 A 95 ASN HD2y H 1 7.439 0.020 A 95 ASN HD2x H 1 6.529 0.020 A 95 ASN C C 13 173.552 0.300 A 95 ASN CA C 13 48.970 0.300 A 95 ASN CB C 13 36.412 0.300 A 95 ASN CG C 13 173.915 0.300 A 95 ASN N N 15 117.377 0.300 A 95 ASN ND2 N 15 108.984 0.300 A 96 GLY H H 1 7.311 0.020 A 96 GLY HAx H 1 3.664 0.020 A 96 GLY HAy H 1 4.091 0.020 A 96 GLY C C 13 170.491 0.300 A 96 GLY CA C 13 43.048 0.300 A 96 GLY N N 15 106.661 0.300 A 97 VAL H H 1 7.551 0.020 A 97 VAL HA H 1 4.191 0.020 A 97 VAL HB H 1 1.878 0.020 A 97 VAL HGx% H 1 0.762 0.020 A 97 VAL HGy% H 1 0.821 0.020 A 97 VAL C C 13 173.482 0.300 A 97 VAL CA C 13 58.932 0.300 A 97 VAL CB C 13 30.676 0.300 A 97 VAL CGy C 13 18.820 0.300 A 97 VAL CGx C 13 17.708 0.300 A 97 VAL N N 15 119.605 0.300 A 98 GLY H H 1 8.655 0.020 A 98 GLY HAx H 1 3.746 0.020 A 98 GLY HAy H 1 4.031 0.020 A 98 GLY C C 13 169.827 0.300 A 98 GLY CA C 13 42.612 0.300 A 98 GLY N N 15 115.147 0.300 A 99 ASP H H 1 8.530 0.020 A 99 ASP HA H 1 4.465 0.020 A 99 ASP HBx H 1 2.620 0.020 A 99 ASP HBy H 1 2.774 0.020 A 99 ASP C C 13 172.259 0.300 A 99 ASP CA C 13 50.287 0.300 A 99 ASP CB C 13 38.909 0.300 A 99 ASP N N 15 119.229 0.300 A 100 GLY H H 1 8.065 0.020 A 100 GLY HAx H 1 3.045 0.020 A 100 GLY HAy H 1 3.773 0.020 A 100 GLY C C 13 167.303 0.300 A 100 GLY CA C 13 39.866 0.300 A 100 GLY N N 15 109.038 0.300 A 101 GLU H H 1 8.192 0.020 A 101 GLU HA H 1 3.977 0.020 A 101 GLU HBy H 1 2.295 0.020 A 101 GLU HBx H 1 2.029 0.020 A 101 GLU HGx H 1 2.105 0.020 A 101 GLU HGy H 1 2.304 0.020 A 101 GLU C C 13 173.370 0.300 A 101 GLU CA C 13 55.141 0.300 A 101 GLU CB C 13 30.889 0.300 A 101 GLU CG C 13 33.854 0.300 A 101 GLU N N 15 120.180 0.300 A 102 HIS H H 1 9.908 0.020 A 102 HIS HA H 1 5.185 0.020 A 102 HIS HBy H 1 3.008 0.020 A 102 HIS HBx H 1 2.651 0.020 A 102 HIS HD1 H 1 9.343 0.020 A 102 HIS HD2 H 1 7.244 0.020 A 102 HIS HE1 H 1 7.331 0.020 A 102 HIS C C 13 174.307 0.300 A 102 HIS CA C 13 52.679 0.300 A 102 HIS CB C 13 33.514 0.300 A 102 HIS CD2 C 13 114.395 0.300 A 102 HIS CE1 C 13 134.309 0.300 A 102 HIS N N 15 126.644 0.300 A 103 TRP H H 1 9.098 0.020 A 103 TRP HA H 1 4.816 0.020 A 103 TRP HBy H 1 3.187 0.020 A 103 TRP HBx H 1 3.129 0.020 A 103 TRP HD1 H 1 7.062 0.020 A 103 TRP HE1 H 1 9.619 0.020 A 103 TRP HE3 H 1 7.040 0.020 A 103 TRP HH2 H 1 6.567 0.020 A 103 TRP HZ2 H 1 6.968 0.020 A 103 TRP HZ3 H 1 6.830 0.020 A 103 TRP C C 13 173.005 0.300 A 103 TRP CA C 13 54.621 0.300 A 103 TRP CB C 13 28.956 0.300 A 103 TRP CD1 C 13 124.185 0.300 A 103 TRP CE3 C 13 115.825 0.300 A 103 TRP CH2 C 13 121.484 0.300 A 103 TRP CZ2 C 13 111.551 0.300 A 103 TRP CZ3 C 13 120.912 0.300 A 103 TRP N N 15 125.439 0.300 A 103 TRP NE1 N 15 130.261 0.300 A 104 VAL H H 1 10.072 0.020 A 104 VAL HA H 1 5.936 0.020 A 104 VAL HB H 1 2.033 0.020 A 104 VAL HGx% H 1 0.842 0.020 A 104 VAL HGy% H 1 0.732 0.020 A 104 VAL C C 13 173.157 0.300 A 104 VAL CA C 13 57.046 0.300 A 104 VAL CB C 13 35.223 0.300 A 104 VAL CGx C 13 15.786 0.300 A 104 VAL CGy C 13 20.033 0.300 A 104 VAL N N 15 113.640 0.300 A 105 TYR H H 1 9.042 0.020 A 105 TYR HA H 1 4.445 0.020 A 105 TYR HBx H 1 2.075 0.020 A 105 TYR HBy H 1 2.483 0.020 A 105 TYR HDx H 1 6.697 0.020 A 105 TYR HDy H 1 6.697 0.020 A 105 TYR HEx H 1 6.685 0.020 A 105 TYR HEy H 1 6.685 0.020 A 105 TYR C C 13 171.718 0.300 A 105 TYR CA C 13 56.486 0.300 A 105 TYR CB C 13 40.749 0.300 A 105 TYR CDx C 13 131.049 0.300 A 105 TYR CEx C 13 115.476 0.300 A 105 TYR N N 15 123.214 0.300 A 106 SER H H 1 7.675 0.020 A 106 SER HA H 1 5.034 0.020 A 106 SER HBx H 1 3.428 0.020 A 106 SER HBy H 1 3.592 0.020 A 106 SER C C 13 170.101 0.300 A 106 SER CA C 13 56.663 0.300 A 106 SER CB C 13 60.890 0.300 A 106 SER N N 15 123.621 0.300 A 107 ILE H H 1 8.755 0.020 A 107 ILE HA H 1 4.559 0.020 A 107 ILE HB H 1 1.835 0.020 A 107 ILE HD1% H 1 1.146 0.020 A 107 ILE HG1x H 1 1.394 0.020 A 107 ILE HG1y H 1 1.561 0.020 A 107 ILE HG2% H 1 1.103 0.020 A 107 ILE C C 13 171.191 0.300 A 107 ILE CA C 13 56.820 0.300 A 107 ILE CB C 13 39.567 0.300 A 107 ILE CD1 C 13 12.312 0.300 A 107 ILE CG1 C 13 24.439 0.300 A 107 ILE CG2 C 13 16.196 0.300 A 107 ILE N N 15 119.859 0.300 A 108 THR H H 1 8.692 0.020 A 108 THR HA H 1 4.803 0.020 A 108 THR HB H 1 3.950 0.020 A 108 THR HG2% H 1 0.921 0.020 A 108 THR C C 13 170.167 0.300 A 108 THR CA C 13 56.354 0.300 A 108 THR CB C 13 67.243 0.300 A 108 THR CG2 C 13 18.242 0.300 A 108 THR N N 15 118.462 0.300 A 109 PRO HA H 1 4.181 0.020 A 109 PRO HBx H 1 1.836 0.020 A 109 PRO HBy H 1 2.062 0.020 A 109 PRO HDx H 1 3.550 0.020 A 109 PRO HDy H 1 4.011 0.020 A 109 PRO HGx H 1 1.401 0.020 A 109 PRO HGy H 1 1.793 0.020 A 109 PRO C C 13 171.335 0.300 A 109 PRO CA C 13 59.664 0.300 A 109 PRO CB C 13 29.828 0.300 A 109 PRO CD C 13 48.264 0.300 A 109 PRO CG C 13 24.297 0.300 A 110 ASP H H 1 8.965 0.020 A 110 ASP HA H 1 4.971 0.020 A 110 ASP HBx H 1 2.684 0.020 A 110 ASP HBy H 1 2.992 0.020 A 110 ASP C C 13 174.045 0.300 A 110 ASP CA C 13 49.837 0.300 A 110 ASP CB C 13 40.210 0.300 A 110 ASP N N 15 123.374 0.300 A 111 SER H H 1 8.226 0.020 A 111 SER HA H 1 4.173 0.020 A 111 SER HBx H 1 3.818 0.020 A 111 SER HBy H 1 3.938 0.020 A 111 SER C C 13 171.582 0.300 A 111 SER CA C 13 58.137 0.300 A 111 SER CB C 13 60.860 0.300 A 111 SER N N 15 112.070 0.300 A 112 SER H H 1 7.869 0.020 A 112 SER HA H 1 4.682 0.020 A 112 SER HBx H 1 3.695 0.020 A 112 SER HBy H 1 3.815 0.020 A 112 SER C C 13 170.184 0.300 A 112 SER CA C 13 53.779 0.300 A 112 SER CB C 13 62.682 0.300 A 112 SER N N 15 116.702 0.300 A 113 TRP H H 1 8.260 0.020 A 113 TRP HA H 1 4.355 0.020 A 113 TRP HBx H 1 2.980 0.020 A 113 TRP HBy H 1 3.130 0.020 A 113 TRP HD1 H 1 7.335 0.020 A 113 TRP HE1 H 1 10.124 0.020 A 113 TRP HE3 H 1 6.719 0.020 A 113 TRP HH2 H 1 6.567 0.020 A 113 TRP HZ2 H 1 6.980 0.020 A 113 TRP HZ3 H 1 7.258 0.020 A 113 TRP C C 13 174.499 0.300 A 113 TRP CA C 13 56.619 0.300 A 113 TRP CB C 13 27.001 0.300 A 113 TRP CD1 C 13 125.029 0.300 A 113 TRP CZ2 C 13 111.154 0.300 A 113 TRP N N 15 120.476 0.300 A 113 TRP NE1 N 15 128.369 0.300 A 114 LYS H H 1 8.603 0.020 A 114 LYS HA H 1 4.682 0.020 A 114 LYS HBy H 1 1.797 0.020 A 114 LYS HBx H 1 1.736 0.020 A 114 LYS HDx H 1 1.489 0.020 A 114 LYS HDy H 1 1.717 0.020 A 114 LYS HEx H 1 2.965 0.020 A 114 LYS HEy H 1 3.032 0.020 A 114 LYS HGx H 1 1.499 0.020 A 114 LYS HGy H 1 1.499 0.020 A 114 LYS C C 13 172.549 0.300 A 114 LYS CA C 13 52.647 0.300 A 114 LYS CB C 13 33.929 0.300 A 114 LYS CD C 13 26.378 0.300 A 114 LYS CE C 13 39.399 0.300 A 114 LYS CG C 13 22.377 0.300 A 114 LYS N N 15 123.347 0.300 A 115 THR H H 1 8.618 0.020 A 115 THR HA H 1 5.022 0.020 A 115 THR HB H 1 3.728 0.020 A 115 THR HG2% H 1 0.979 0.020 A 115 THR C C 13 171.606 0.300 A 115 THR CA C 13 59.400 0.300 A 115 THR CB C 13 66.700 0.300 A 115 THR CG2 C 13 19.733 0.300 A 115 THR N N 15 120.692 0.300 A 116 ILE H H 1 9.357 0.020 A 116 ILE HA H 1 3.942 0.020 A 116 ILE HB H 1 1.152 0.020 A 116 ILE HD1% H 1 0.739 0.020 A 116 ILE HG1x H 1 1.268 0.020 A 116 ILE HG1y H 1 1.268 0.020 A 116 ILE HG2% H 1 0.510 0.020 A 116 ILE C C 13 170.665 0.300 A 116 ILE CA C 13 56.163 0.300 A 116 ILE CB C 13 33.970 0.300 A 116 ILE CD1 C 13 8.262 0.300 A 116 ILE CG1 C 13 24.459 0.300 A 116 ILE CG2 C 13 13.839 0.300 A 116 ILE N N 15 132.182 0.300 A 117 GLU H H 1 7.986 0.020 A 117 GLU HA H 1 4.668 0.020 A 117 GLU HBy H 1 1.757 0.020 A 117 GLU HBx H 1 1.495 0.020 A 117 GLU HGx H 1 1.755 0.020 A 117 GLU HGy H 1 1.965 0.020 A 117 GLU C C 13 173.180 0.300 A 117 GLU CA C 13 51.479 0.300 A 117 GLU CB C 13 29.301 0.300 A 117 GLU CG C 13 33.840 0.300 A 117 GLU N N 15 124.224 0.300 A 118 ILE H H 1 9.208 0.020 A 118 ILE HA H 1 4.207 0.020 A 118 ILE HB H 1 1.548 0.020 A 118 ILE HD1% H 1 0.457 0.020 A 118 ILE HG1x H 1 -0.039 0.020 A 118 ILE HG1y H 1 0.953 0.020 A 118 ILE HG2% H 1 -0.395 0.020 A 118 ILE C C 13 171.539 0.300 A 118 ILE CA C 13 55.340 0.300 A 118 ILE CB C 13 37.096 0.300 A 118 ILE CD1 C 13 12.110 0.300 A 118 ILE CG1 C 13 23.275 0.300 A 118 ILE CG2 C 13 15.805 0.300 A 118 ILE N N 15 125.305 0.300 A 119 PRO HA H 1 4.185 0.020 A 119 PRO HBx H 1 1.862 0.020 A 119 PRO HBy H 1 2.273 0.020 A 119 PRO HDx H 1 3.574 0.020 A 119 PRO HDy H 1 3.699 0.020 A 119 PRO HGy H 1 2.139 0.020 A 119 PRO HGx H 1 2.038 0.020 A 119 PRO C C 13 176.546 0.300 A 119 PRO CA C 13 59.165 0.300 A 119 PRO CB C 13 28.703 0.300 A 119 PRO CD C 13 48.267 0.300 A 119 PRO CG C 13 24.436 0.300 A 120 PHE H H 1 8.057 0.020 A 120 PHE HA H 1 4.835 0.020 A 120 PHE HBx H 1 2.952 0.020 A 120 PHE HBy H 1 3.239 0.020 A 120 PHE HDx H 1 7.081 0.020 A 120 PHE HDy H 1 7.081 0.020 A 120 PHE HEx H 1 6.710 0.020 A 120 PHE HEy H 1 6.710 0.020 A 120 PHE C C 13 175.393 0.300 A 120 PHE CA C 13 58.828 0.300 A 120 PHE CB C 13 34.994 0.300 A 120 PHE CDx C 13 128.438 0.300 A 120 PHE N N 15 124.941 0.300 A 121 SER H H 1 8.238 0.020 A 121 SER HA H 1 4.428 0.020 A 121 SER HBx H 1 3.951 0.020 A 121 SER HBy H 1 4.202 0.020 A 121 SER C C 13 173.065 0.300 A 121 SER CA C 13 57.242 0.300 A 121 SER CB C 13 60.389 0.300 A 121 SER N N 15 110.582 0.300 A 122 SER H H 1 8.407 0.020 A 122 SER HA H 1 4.720 0.020 A 122 SER HBx H 1 3.812 0.020 A 122 SER HBy H 1 4.116 0.020 A 122 SER C C 13 172.145 0.300 A 122 SER CA C 13 57.380 0.300 A 122 SER CB C 13 61.330 0.300 A 122 SER N N 15 117.167 0.300 A 123 PHE H H 1 7.663 0.020 A 123 PHE HA H 1 4.438 0.020 A 123 PHE HBx H 1 3.303 0.020 A 123 PHE HBy H 1 3.491 0.020 A 123 PHE HDx H 1 7.511 0.020 A 123 PHE HDy H 1 7.511 0.020 A 123 PHE HEx H 1 7.345 0.020 A 123 PHE HEy H 1 7.345 0.020 A 123 PHE HZ H 1 7.095 0.020 A 123 PHE C C 13 173.487 0.300 A 123 PHE CA C 13 58.515 0.300 A 123 PHE CB C 13 38.214 0.300 A 123 PHE CDx C 13 129.113 0.300 A 123 PHE CEx C 13 129.109 0.300 A 123 PHE N N 15 119.784 0.300 A 124 ARG H H 1 9.095 0.020 A 124 ARG HA H 1 5.152 0.020 A 124 ARG HBx H 1 1.813 0.020 A 124 ARG HBy H 1 1.936 0.020 A 124 ARG HDx H 1 3.294 0.020 A 124 ARG HDy H 1 3.384 0.020 A 124 ARG HE H 1 7.015 0.020 A 124 ARG HGx H 1 1.805 0.020 A 124 ARG HGy H 1 1.805 0.020 A 124 ARG C C 13 172.303 0.300 A 124 ARG CA C 13 50.922 0.300 A 124 ARG CB C 13 30.461 0.300 A 124 ARG CD C 13 40.534 0.300 A 124 ARG CG C 13 24.297 0.300 A 124 ARG N N 15 120.152 0.300 A 125 ARG H H 1 8.485 0.020 A 125 ARG HA H 1 2.688 0.020 A 125 ARG HBx H 1 0.639 0.020 A 125 ARG HBy H 1 1.131 0.020 A 125 ARG HDx H 1 2.817 0.020 A 125 ARG HDy H 1 2.817 0.020 A 125 ARG HGx H 1 0.305 0.020 A 125 ARG HGy H 1 0.845 0.020 A 125 ARG C C 13 174.177 0.300 A 125 ARG CA C 13 54.626 0.300 A 125 ARG CB C 13 27.081 0.300 A 125 ARG CD C 13 40.573 0.300 A 125 ARG CG C 13 24.926 0.300 A 125 ARG N N 15 126.671 0.300 A 126 ARG H H 1 7.756 0.020 A 126 ARG HA H 1 3.742 0.020 A 126 ARG HBx H 1 1.223 0.020 A 126 ARG HBy H 1 2.391 0.020 A 126 ARG HDx H 1 2.858 0.020 A 126 ARG HDy H 1 2.858 0.020 A 126 ARG HGx H 1 1.612 0.020 A 126 ARG HGy H 1 1.686 0.020 A 126 ARG C C 13 173.837 0.300 A 126 ARG CA C 13 55.420 0.300 A 126 ARG CB C 13 29.413 0.300 A 126 ARG CD C 13 42.538 0.300 A 126 ARG CG C 13 25.687 0.300 A 126 ARG N N 15 126.533 0.300 A 127 LEU H H 1 8.746 0.020 A 127 LEU HA H 1 4.411 0.020 A 127 LEU HBx H 1 1.425 0.020 A 127 LEU HBy H 1 1.645 0.020 A 127 LEU HDx% H 1 0.854 0.020 A 127 LEU HDy% H 1 0.718 0.020 A 127 LEU HG H 1 1.710 0.020 A 127 LEU C C 13 175.632 0.300 A 127 LEU CA C 13 52.824 0.300 A 127 LEU CB C 13 40.994 0.300 A 127 LEU CDy C 13 22.252 0.300 A 127 LEU CDx C 13 19.894 0.300 A 127 LEU CG C 13 23.254 0.300 A 127 LEU N N 15 124.291 0.300 A 128 ASP H H 1 8.923 0.020 A 128 ASP HA H 1 4.346 0.020 A 128 ASP HBy H 1 2.736 0.020 A 128 ASP HBx H 1 2.622 0.020 A 128 ASP C C 13 172.299 0.300 A 128 ASP CA C 13 52.295 0.300 A 128 ASP CB C 13 36.198 0.300 A 128 ASP N N 15 116.139 0.300 A 129 TYR H H 1 6.808 0.020 A 129 TYR HA H 1 4.158 0.020 A 129 TYR HBy H 1 3.120 0.020 A 129 TYR HBx H 1 1.834 0.020 A 129 TYR HDx H 1 6.782 0.020 A 129 TYR HDy H 1 6.782 0.020 A 129 TYR HEx H 1 6.457 0.020 A 129 TYR HEy H 1 6.457 0.020 A 129 TYR C C 13 169.718 0.300 A 129 TYR CA C 13 56.097 0.300 A 129 TYR CB C 13 38.202 0.300 A 129 TYR CDx C 13 129.746 0.300 A 129 TYR CEx C 13 114.967 0.300 A 129 TYR N N 15 119.358 0.300 A 130 GLN H H 1 6.138 0.020 A 130 GLN HA H 1 3.665 0.020 A 130 GLN HBx H 1 1.023 0.020 A 130 GLN HBy H 1 1.517 0.020 A 130 GLN HE2y H 1 7.545 0.020 A 130 GLN HE2x H 1 6.929 0.020 A 130 GLN C C 13 170.005 0.300 A 130 GLN CA C 13 49.525 0.300 A 130 GLN CB C 13 29.471 0.300 A 130 GLN CG C 13 28.560 0.300 A 130 GLN N N 15 121.192 0.300 A 130 GLN NE2 N 15 107.537 0.300 A 132 PRO HA H 1 4.202 0.020 A 132 PRO HBx H 1 1.852 0.020 A 132 PRO HBy H 1 2.278 0.020 A 132 PRO HDx H 1 3.615 0.020 A 132 PRO HDy H 1 3.743 0.020 A 132 PRO HGy H 1 2.072 0.020 A 132 PRO HGx H 1 1.995 0.020 A 132 PRO C C 13 175.618 0.300 A 132 PRO CA C 13 61.875 0.300 A 132 PRO CB C 13 28.813 0.300 A 132 PRO CD C 13 47.378 0.300 A 132 PRO CG C 13 24.727 0.300 A 133 GLY H H 1 8.204 0.020 A 133 GLY HAx H 1 3.793 0.020 A 133 GLY HAy H 1 4.061 0.020 A 133 GLY C C 13 170.992 0.300 A 133 GLY CA C 13 42.218 0.300 A 133 GLY N N 15 104.622 0.300 A 134 GLN H H 1 7.066 0.020 A 134 GLN HA H 1 4.167 0.020 A 134 GLN HBx H 1 1.650 0.020 A 134 GLN HBy H 1 2.239 0.020 A 134 GLN HE2y H 1 7.228 0.020 A 134 GLN HE2x H 1 6.575 0.020 A 134 GLN HGx H 1 2.144 0.020 A 134 GLN HGy H 1 2.144 0.020 A 134 GLN C C 13 172.738 0.300 A 134 GLN CA C 13 53.658 0.300 A 134 GLN CB C 13 24.577 0.300 A 134 GLN CD C 13 174.969 0.300 A 134 GLN CG C 13 33.285 0.300 A 134 GLN N N 15 116.451 0.300 A 134 GLN NE2 N 15 108.763 0.300 A 135 ASP H H 1 8.722 0.020 A 135 ASP HA H 1 4.153 0.020 A 135 ASP HBx H 1 2.957 0.020 A 135 ASP HBy H 1 2.957 0.020 A 135 ASP C C 13 174.168 0.300 A 135 ASP CA C 13 51.528 0.300 A 135 ASP CB C 13 36.519 0.300 A 135 ASP N N 15 118.307 0.300 A 136 MET H H 1 7.380 0.020 A 136 MET HA H 1 3.852 0.020 A 136 MET HBx H 1 1.999 0.020 A 136 MET HBy H 1 2.234 0.020 A 136 MET HGx H 1 2.289 0.020 A 136 MET HGy H 1 2.289 0.020 A 136 MET C C 13 174.110 0.300 A 136 MET CA C 13 54.294 0.300 A 136 MET CB C 13 29.105 0.300 A 136 MET CG C 13 29.714 0.300 A 136 MET N N 15 114.437 0.300 A 137 SER H H 1 9.002 0.020 A 137 SER HA H 1 4.183 0.020 A 137 SER HBx H 1 3.628 0.020 A 137 SER HBy H 1 3.840 0.020 A 137 SER C C 13 174.679 0.300 A 137 SER CA C 13 57.691 0.300 A 137 SER CB C 13 62.156 0.300 A 137 SER N N 15 118.197 0.300 A 138 GLY H H 1 10.464 0.020 A 138 GLY HAx H 1 3.542 0.020 A 138 GLY HAy H 1 4.163 0.020 A 138 GLY C C 13 170.740 0.300 A 138 GLY CA C 13 44.014 0.300 A 138 GLY N N 15 114.627 0.300 A 139 THR H H 1 8.316 0.020 A 139 THR HA H 1 4.316 0.020 A 139 THR HB H 1 3.953 0.020 A 139 THR HG2% H 1 1.065 0.020 A 139 THR C C 13 167.706 0.300 A 139 THR CA C 13 56.872 0.300 A 139 THR CB C 13 68.681 0.300 A 139 THR CG2 C 13 18.865 0.300 A 139 THR N N 15 112.487 0.300 A 140 LEU H H 1 7.781 0.020 A 140 LEU HA H 1 3.541 0.020 A 140 LEU HBx H 1 -1.119 0.020 A 140 LEU HBy H 1 0.789 0.020 A 140 LEU HDx% H 1 0.304 0.020 A 140 LEU HDy% H 1 0.627 0.020 A 140 LEU HG H 1 0.029 0.020 A 140 LEU C C 13 171.936 0.300 A 140 LEU CA C 13 50.995 0.300 A 140 LEU CB C 13 35.512 0.300 A 140 LEU CDx C 13 22.999 0.300 A 140 LEU CDy C 13 23.746 0.300 A 140 LEU CG C 13 18.852 0.300 A 140 LEU N N 15 129.766 0.300 A 141 ASP H H 1 8.954 0.020 A 141 ASP HA H 1 4.484 0.020 A 141 ASP HBx H 1 2.380 0.020 A 141 ASP HBy H 1 2.471 0.020 A 141 ASP C C 13 171.901 0.300 A 141 ASP CA C 13 51.431 0.300 A 141 ASP CB C 13 38.219 0.300 A 141 ASP N N 15 132.063 0.300 A 142 LEU H H 1 7.702 0.020 A 142 LEU HA H 1 3.540 0.020 A 142 LEU HBx H 1 1.087 0.020 A 142 LEU HBy H 1 1.426 0.020 A 142 LEU HDx% H 1 0.811 0.020 A 142 LEU HDy% H 1 1.301 0.020 A 142 LEU HG H 1 -0.022 0.020 A 142 LEU C C 13 172.708 0.300 A 142 LEU CA C 13 53.629 0.300 A 142 LEU CB C 13 39.628 0.300 A 142 LEU CDx C 13 22.958 0.300 A 142 LEU CDy C 13 24.061 0.300 A 142 LEU CG C 13 18.267 0.300 A 142 LEU N N 15 122.475 0.300 A 143 ASP H H 1 8.253 0.020 A 143 ASP HA H 1 4.718 0.020 A 143 ASP HBx H 1 2.412 0.020 A 143 ASP HBy H 1 2.743 0.020 A 143 ASP C C 13 173.424 0.300 A 143 ASP CA C 13 50.882 0.300 A 143 ASP CB C 13 37.017 0.300 A 143 ASP N N 15 112.399 0.300 A 144 ASN H H 1 7.681 0.020 A 144 ASN HA H 1 4.881 0.020 A 144 ASN HBx H 1 2.117 0.020 A 144 ASN HBy H 1 2.737 0.020 A 144 ASN HD2y H 1 7.601 0.020 A 144 ASN HD2x H 1 6.600 0.020 A 144 ASN C C 13 171.019 0.300 A 144 ASN CA C 13 49.153 0.300 A 144 ASN CB C 13 37.920 0.300 A 144 ASN N N 15 120.693 0.300 A 144 ASN ND2 N 15 111.913 0.300 A 145 ILE H H 1 8.703 0.020 A 145 ILE HA H 1 3.597 0.020 A 145 ILE HB H 1 0.955 0.020 A 145 ILE HD1% H 1 0.001 0.020 A 145 ILE HG1x H 1 0.199 0.020 A 145 ILE HG1y H 1 1.116 0.020 A 145 ILE HG2% H 1 -0.326 0.020 A 145 ILE C C 13 172.200 0.300 A 145 ILE CA C 13 57.637 0.300 A 145 ILE CB C 13 32.982 0.300 A 145 ILE CD1 C 13 6.749 0.300 A 145 ILE CG1 C 13 22.418 0.300 A 145 ILE CG2 C 13 14.567 0.300 A 145 ILE N N 15 122.946 0.300 A 146 ASP H H 1 9.194 0.020 A 146 ASP HA H 1 4.431 0.020 A 146 ASP HBx H 1 2.030 0.020 A 146 ASP HBy H 1 2.356 0.020 A 146 ASP C C 13 172.775 0.300 A 146 ASP CA C 13 53.026 0.300 A 146 ASP CB C 13 43.625 0.300 A 146 ASP N N 15 125.274 0.300 A 147 SER H H 1 7.765 0.020 A 147 SER HA H 1 4.851 0.020 A 147 SER HBx H 1 3.212 0.020 A 147 SER HBy H 1 3.727 0.020 A 147 SER C C 13 169.692 0.300 A 147 SER CA C 13 54.325 0.300 A 147 SER CB C 13 62.346 0.300 A 147 SER N N 15 108.415 0.300 A 148 ILE H H 1 7.831 0.020 A 148 ILE HA H 1 5.463 0.020 A 148 ILE HB H 1 2.017 0.020 A 148 ILE HD1% H 1 1.308 0.020 A 148 ILE HG1x H 1 1.921 0.020 A 148 ILE HG1y H 1 1.921 0.020 A 148 ILE HG2% H 1 1.164 0.020 A 148 ILE C C 13 171.705 0.300 A 148 ILE CA C 13 56.312 0.300 A 148 ILE CB C 13 38.556 0.300 A 148 ILE CD1 C 13 11.567 0.300 A 148 ILE CG1 C 13 22.648 0.300 A 148 ILE CG2 C 13 17.719 0.300 A 148 ILE N N 15 109.704 0.300 A 149 HIS H H 1 9.155 0.020 A 149 HIS HA H 1 6.324 0.020 A 149 HIS HBx H 1 2.674 0.020 A 149 HIS HBy H 1 3.077 0.020 A 149 HIS HD1 H 1 9.482 0.020 A 149 HIS HD2 H 1 6.273 0.020 A 149 HIS HE1 H 1 7.493 0.020 A 149 HIS C C 13 174.039 0.300 A 149 HIS CA C 13 51.670 0.300 A 149 HIS CB C 13 33.792 0.300 A 149 HIS CD2 C 13 113.271 0.300 A 149 HIS CE1 C 13 134.212 0.300 A 149 HIS N N 15 118.204 0.300 A 150 PHE H H 1 8.623 0.020 A 150 PHE HA H 1 5.295 0.020 A 150 PHE HBx H 1 3.059 0.020 A 150 PHE HBy H 1 3.248 0.020 A 150 PHE HDx H 1 7.090 0.020 A 150 PHE HDy H 1 7.090 0.020 A 150 PHE C C 13 172.559 0.300 A 150 PHE CA C 13 56.294 0.300 A 150 PHE CB C 13 39.053 0.300 A 150 PHE N N 15 116.683 0.300 A 151 MET H H 1 9.610 0.020 A 151 MET HA H 1 4.459 0.020 A 151 MET HBx H 1 1.783 0.020 A 151 MET HBy H 1 2.315 0.020 A 151 MET HGy H 1 2.216 0.020 A 151 MET HGx H 1 2.152 0.020 A 151 MET C C 13 170.023 0.300 A 151 MET CA C 13 51.942 0.300 A 151 MET CB C 13 34.707 0.300 A 151 MET CG C 13 27.716 0.300 A 151 MET N N 15 119.683 0.300 A 152 TYR H H 1 6.114 0.020 A 152 TYR HA H 1 3.877 0.020 A 152 TYR HBx H 1 1.481 0.020 A 152 TYR HBy H 1 2.789 0.020 A 152 TYR HDx H 1 7.098 0.020 A 152 TYR HDy H 1 7.098 0.020 A 152 TYR HEx H 1 6.694 0.020 A 152 TYR HEy H 1 6.694 0.020 A 152 TYR C C 13 171.384 0.300 A 152 TYR CA C 13 55.106 0.300 A 152 TYR CB C 13 36.669 0.300 A 152 TYR CDy C 13 128.859 0.300 A 152 TYR CEy C 13 116.445 0.300 A 152 TYR N N 15 116.891 0.300 A 153 ALA H H 1 9.909 0.020 A 153 ALA HA H 1 3.950 0.020 A 153 ALA HB% H 1 1.103 0.020 A 153 ALA C C 13 173.685 0.300 A 153 ALA CA C 13 48.918 0.300 A 153 ALA CB C 13 19.782 0.300 A 153 ALA N N 15 121.133 0.300 A 154 ASN H H 1 7.961 0.020 A 154 ASN HA H 1 4.997 0.020 A 154 ASN HBy H 1 3.176 0.020 A 154 ASN HBx H 1 3.092 0.020 A 154 ASN HD2x H 1 7.967 0.020 A 154 ASN HD2y H 1 7.967 0.020 A 154 ASN C C 13 173.122 0.300 A 154 ASN CA C 13 49.762 0.300 A 154 ASN CB C 13 36.515 0.300 A 154 ASN CG C 13 173.905 0.300 A 154 ASN N N 15 114.548 0.300 A 154 ASN ND2 N 15 114.113 0.300 A 155 ASN H H 1 8.504 0.020 A 155 ASN HA H 1 4.729 0.020 A 155 ASN HBx H 1 2.660 0.020 A 155 ASN HBy H 1 2.877 0.020 A 155 ASN HD2y H 1 7.403 0.020 A 155 ASN HD2x H 1 6.887 0.020 A 155 ASN C C 13 172.429 0.300 A 155 ASN CA C 13 50.297 0.300 A 155 ASN CB C 13 35.044 0.300 A 155 ASN CG C 13 174.643 0.300 A 155 ASN N N 15 116.529 0.300 A 155 ASN ND2 N 15 111.288 0.300 A 156 LYS H H 1 8.163 0.020 A 156 LYS HA H 1 4.542 0.020 A 156 LYS HBx H 1 2.080 0.020 A 156 LYS HBy H 1 2.080 0.020 A 156 LYS HDx H 1 1.694 0.020 A 156 LYS HDy H 1 1.694 0.020 A 156 LYS HEx H 1 3.042 0.020 A 156 LYS HEy H 1 3.042 0.020 A 156 LYS HGx H 1 1.442 0.020 A 156 LYS HGy H 1 1.442 0.020 A 156 LYS C C 13 173.806 0.300 A 156 LYS CA C 13 53.672 0.300 A 156 LYS CB C 13 30.240 0.300 A 156 LYS CD C 13 25.903 0.300 A 156 LYS CE C 13 39.517 0.300 A 156 LYS CG C 13 26.964 0.300 A 156 LYS N N 15 119.037 0.300 A 157 SER H H 1 8.170 0.020 A 157 SER HA H 1 4.846 0.020 A 157 SER HBx H 1 3.638 0.020 A 157 SER HBy H 1 3.919 0.020 A 157 SER C C 13 169.662 0.300 A 157 SER CA C 13 55.522 0.300 A 157 SER CB C 13 62.860 0.300 A 157 SER N N 15 115.687 0.300 A 158 GLY H H 1 6.737 0.020 A 158 GLY HAx H 1 3.540 0.020 A 158 GLY HAy H 1 3.923 0.020 A 158 GLY C C 13 168.077 0.300 A 158 GLY CA C 13 43.379 0.300 A 158 GLY N N 15 108.011 0.300 A 159 LYS H H 1 7.692 0.020 A 159 LYS HA H 1 5.322 0.020 A 159 LYS HBx H 1 1.285 0.020 A 159 LYS HBy H 1 1.394 0.020 A 159 LYS HDx H 1 1.244 0.020 A 159 LYS HDy H 1 1.330 0.020 A 159 LYS HEx H 1 2.651 0.020 A 159 LYS HEy H 1 2.651 0.020 A 159 LYS HGx H 1 0.967 0.020 A 159 LYS HGy H 1 1.116 0.020 A 159 LYS C C 13 172.738 0.300 A 159 LYS CA C 13 52.823 0.300 A 159 LYS CB C 13 34.410 0.300 A 159 LYS CD C 13 26.786 0.300 A 159 LYS CE C 13 38.558 0.300 A 159 LYS CG C 13 21.804 0.300 A 159 LYS N N 15 116.527 0.300 A 160 PHE H H 1 8.645 0.020 A 160 PHE HA H 1 5.307 0.020 A 160 PHE HBx H 1 2.880 0.020 A 160 PHE HBy H 1 2.880 0.020 A 160 PHE HDx H 1 6.895 0.020 A 160 PHE HDy H 1 6.895 0.020 A 160 PHE HEx H 1 6.650 0.020 A 160 PHE HEy H 1 6.650 0.020 A 160 PHE C C 13 167.848 0.300 A 160 PHE CA C 13 53.005 0.300 A 160 PHE CB C 13 38.936 0.300 A 160 PHE N N 15 121.737 0.300 A 161 VAL H H 1 9.139 0.020 A 161 VAL HA H 1 5.163 0.020 A 161 VAL HB H 1 1.419 0.020 A 161 VAL HGx% H 1 0.641 0.020 A 161 VAL C C 13 170.425 0.300 A 161 VAL CA C 13 56.417 0.300 A 161 VAL CB C 13 31.741 0.300 A 161 VAL CGy C 13 18.859 0.300 A 161 VAL CGx C 13 18.605 0.300 A 161 VAL N N 15 119.613 0.300 A 162 VAL H H 1 8.260 0.020 A 162 VAL HA H 1 5.772 0.020 A 162 VAL HB H 1 1.614 0.020 A 162 VAL HGx% H 1 0.551 0.020 A 162 VAL HGy% H 1 0.637 0.020 A 162 VAL C C 13 170.672 0.300 A 162 VAL CA C 13 55.473 0.300 A 162 VAL CB C 13 33.586 0.300 A 162 VAL CGy C 13 18.935 0.300 A 162 VAL CGx C 13 17.911 0.300 A 162 VAL N N 15 121.100 0.300 A 163 ASP H H 1 9.062 0.020 A 163 ASP HA H 1 5.400 0.020 A 163 ASP HBy H 1 2.483 0.020 A 163 ASP HBx H 1 2.409 0.020 A 163 ASP C C 13 172.263 0.300 A 163 ASP CA C 13 49.125 0.300 A 163 ASP CB C 13 42.234 0.300 A 163 ASP N N 15 119.011 0.300 A 164 ASN H H 1 9.715 0.020 A 164 ASN HA H 1 4.477 0.020 A 164 ASN HBx H 1 2.459 0.020 A 164 ASN HBy H 1 3.010 0.020 A 164 ASN HD2y H 1 8.422 0.020 A 164 ASN HD2x H 1 6.381 0.020 A 164 ASN C C 13 170.700 0.300 A 164 ASN CA C 13 52.415 0.300 A 164 ASN CB C 13 35.103 0.300 A 164 ASN CG C 13 176.165 0.300 A 164 ASN N N 15 117.226 0.300 A 164 ASN ND2 N 15 114.915 0.300 A 165 ILE H H 1 8.526 0.020 A 165 ILE HA H 1 5.254 0.020 A 165 ILE HB H 1 2.109 0.020 A 165 ILE HD1% H 1 1.535 0.020 A 165 ILE HG1x H 1 2.224 0.020 A 165 ILE HG1y H 1 2.224 0.020 A 165 ILE HG2% H 1 1.244 0.020 A 165 ILE C C 13 173.072 0.300 A 165 ILE CA C 13 58.897 0.300 A 165 ILE CB C 13 34.943 0.300 A 165 ILE CD1 C 13 13.986 0.300 A 165 ILE CG1 C 13 25.398 0.300 A 165 ILE CG2 C 13 15.313 0.300 A 165 ILE N N 15 118.386 0.300 A 166 LYS H H 1 9.791 0.020 A 166 LYS HA H 1 4.978 0.020 A 166 LYS HBx H 1 1.360 0.020 A 166 LYS HBy H 1 1.944 0.020 A 166 LYS HDx H 1 1.281 0.020 A 166 LYS HDy H 1 1.281 0.020 A 166 LYS HEx H 1 2.822 0.020 A 166 LYS HEy H 1 2.822 0.020 A 166 LYS HGx H 1 0.840 0.020 A 166 LYS HGy H 1 0.840 0.020 A 166 LYS C C 13 170.066 0.300 A 166 LYS CA C 13 52.194 0.300 A 166 LYS CB C 13 34.833 0.300 A 166 LYS CD C 13 27.363 0.300 A 166 LYS CE C 13 39.236 0.300 A 166 LYS CG C 13 20.601 0.300 A 166 LYS N N 15 127.554 0.300 A 167 LEU H H 1 8.376 0.020 A 167 LEU HA H 1 4.620 0.020 A 167 LEU HBy H 1 0.362 0.020 A 167 LEU HBx H 1 0.193 0.020 A 167 LEU HDx% H 1 -0.707 0.020 A 167 LEU HDy% H 1 -0.356 0.020 A 167 LEU HG H 1 0.672 0.020 A 167 LEU C C 13 173.552 0.300 A 167 LEU CA C 13 50.392 0.300 A 167 LEU CB C 13 40.368 0.300 A 167 LEU CDy C 13 20.410 0.300 A 167 LEU CDx C 13 19.152 0.300 A 167 LEU CG C 13 22.646 0.300 A 167 LEU N N 15 120.406 0.300 A 168 ILE H H 1 8.332 0.020 A 168 ILE HA H 1 4.806 0.020 A 168 ILE HB H 1 1.627 0.020 A 168 ILE HD1% H 1 0.662 0.020 A 168 ILE HG1x H 1 0.841 0.020 A 168 ILE HG1y H 1 0.841 0.020 A 168 ILE HG2% H 1 0.897 0.020 A 168 ILE C C 13 173.581 0.300 A 168 ILE CA C 13 57.129 0.300 A 168 ILE CB C 13 38.594 0.300 A 168 ILE CD1 C 13 10.340 0.300 A 168 ILE CG1 C 13 24.147 0.300 A 168 ILE CG2 C 13 15.308 0.300 A 168 ILE N N 15 116.200 0.300 A 169 GLY H H 1 8.731 0.020 A 169 GLY HAx H 1 3.929 0.020 A 169 GLY HAy H 1 4.131 0.020 A 169 GLY C C 13 169.165 0.300 A 169 GLY CA C 13 42.752 0.300 A 169 GLY N N 15 113.856 0.300 A 170 ALA H H 1 8.240 0.020 A 170 ALA HA H 1 4.104 0.020 A 170 ALA HB% H 1 1.079 0.020 A 170 ALA C C 13 175.017 0.300 A 170 ALA CA C 13 49.114 0.300 A 170 ALA CB C 13 16.804 0.300 A 170 ALA N N 15 123.523 0.300 A 171 LEU H H 1 8.044 0.020 A 171 LEU HA H 1 4.182 0.020 A 171 LEU HBx H 1 1.403 0.020 A 171 LEU HBy H 1 1.403 0.020 A 171 LEU HDx% H 1 0.830 0.020 A 171 LEU HDy% H 1 0.785 0.020 A 171 LEU HG H 1 1.451 0.020 A 171 LEU C C 13 174.354 0.300 A 171 LEU CA C 13 52.417 0.300 A 171 LEU CB C 13 39.826 0.300 A 171 LEU CDy C 13 21.797 0.300 A 171 LEU CDx C 13 21.193 0.300 A 171 LEU CG C 13 24.157 0.300 A 171 LEU N N 15 122.226 0.300 A 172 GLU H H 1 8.246 0.020 A 172 GLU HA H 1 4.166 0.020 A 172 GLU HBx H 1 1.773 0.020 A 172 GLU HBy H 1 1.828 0.020 A 172 GLU HGx H 1 2.039 0.020 A 172 GLU HGy H 1 2.118 0.020 A 172 GLU C C 13 172.975 0.300 A 172 GLU CA C 13 53.463 0.300 A 172 GLU CB C 13 27.888 0.300 A 172 GLU CG C 13 33.339 0.300 A 172 GLU N N 15 121.958 0.300 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type . save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 18 ASN HD2x A 19 TRP HE1 1.0 . 4.63 2 2 A 19 TRP HE1 A 165 ILE HD1% 1.0 . 5.19 3 3 A 19 TRP HE1 A 13 PHE HE% 1.0 . 3.91 4 4 A 19 TRP HE1 A 58 TYR HD% 1.0 . 5.44 5 5 A 19 TRP HE1 A 11 ASP HBy 1.0 . 4.28 6 6 A 19 TRP HE1 A 11 ASP HBx 1.0 . 4.07 7 7 A 19 TRP HE1 A 17 LEU HG 1.0 . 5.50 8 8 A 19 TRP HE1 A 17 LEU HDy% 1.0 . 5.50 9 9 A 54 TRP HE1 A 152 TYR HBy 1.0 . 4.25 10 10 A 54 TRP HE1 A 152 TYR HBx 1.0 . 4.39 11 11 A 115 THR H A 116 ILE H 1.0 . 4.79 12 12 A 116 ILE H A 115 THR HA 1.0 . 2.87 13 13 A 116 ILE H A 115 THR HB 1.0 . 4.61 14 14 A 116 ILE H A 116 ILE HB 1.0 . 3.21 15 15 A 116 ILE H A 115 THR HG2% 1.0 . 3.66 16 16 A 116 ILE H A 116 ILE HG2% 1.0 . 4.65 17 17 A 116 ILE H A 73 PHE HD% 1.0 . 5.44 18 18 A 116 ILE H A 74 ASP HA 1.0 . 3.88 19 19 A 116 ILE H A 116 ILE HD1% 1.0 . 4.57 20 20 A 140 LEU HBy A 141 ASP H 1.0 . 4.90 21 21 A 141 ASP H A 140 LEU HA 1.0 . 3.10 22 22 A 141 ASP H A 141 ASP HBx 1.0 . 3.88 23 23 A 44 VAL H A 160 PHE HA 1.0 . 4.81 24 24 A 44 VAL H A 43 GLU HA 1.0 . 3.31 25 25 A 44 VAL H A 43 GLU HBx 1.0 . 3.99 26 26 A 44 VAL H A 161 VAL HGx% 1.0 . 4.80 27 27 A 44 VAL H A 44 VAL HGx% 1.0 . 3.90 28 28 A 44 VAL H A 44 VAL HB 1.0 . 3.40 29 29 A 65 TRP H A 66 SER HA 1.0 . 5.22 30 30 A 65 TRP H A 142 LEU HBx 1.0 . 5.21 31 31 A 44 VAL H A 161 VAL HA 1.0 . 3.81 32 32 A 44 VAL H A 43 GLU HGy 1.0 . 5.38 33 33 A 44 VAL H A 44 VAL HGy% 1.0 . 4.91 34 34 A 57 VAL HGy% A 58 TYR H 1.0 . 5.50 35 35 A 65 TRP H A 143 ASP HA 1.0 . 4.71 36 36 A 65 TRP H A 65 TRP HD1 1.0 . 5.05 37 37 A 65 TRP H A 65 TRP HBx 1.0 . 4.00 38 38 A 65 TRP H A 64 ASP HBx 1.0 . 5.02 39 39 A 65 TRP H A 142 LEU HG 1.0 . 4.99 40 40 A 58 TYR H A 149 HIS HA 1.0 . 4.59 41 41 A 58 TYR H A 57 VAL HA 1.0 . 3.10 42 42 A 58 TYR H A 57 VAL HGx% 1.0 . 3.82 43 43 A 58 TYR H A 58 TYR HBx 1.0 . 4.01 44 44 A 58 TYR H A 148 ILE HG2% 1.0 . 5.41 45 45 A 140 LEU HA A 103 TRP HE1 1.0 . 4.15 46 46 A 9 MET HBy A 10 LEU H 1.0 . 4.02 47 47 A 10 LEU H A 166 LYS HA 1.0 . 3.58 48 48 A 10 LEU H A 9 MET HA 1.0 . 3.23 49 49 A 10 LEU H A 166 LYS HBy 1.0 . 4.11 50 50 A 10 LEU H A 10 LEU HG 1.0 . 4.57 51 51 A 10 LEU H A 10 LEU HDx% 1.0 . 4.70 52 52 A 87 PHE HA A 88 MET H 1.0 . 3.06 53 53 A 88 MET H A 88 MET HBy 1.0 . 4.17 54 54 A 88 MET H A 87 PHE HBy 1.0 . 4.49 55 55 A 88 MET H A 88 MET HGx 1.0 . 4.91 56 55 A 88 MET H A 88 MET HGy 1.0 . 4.91 57 56 A 141 ASP H A 140 LEU H 1.0 . 5.01 58 57 A 140 LEU H A 139 THR HA 1.0 . 3.04 59 58 A 140 LEU H A 139 THR HB 1.0 . 3.89 60 59 A 140 LEU H A 139 THR HG2% 1.0 . 4.65 61 60 A 140 LEU HBy A 140 LEU H 1.0 . 3.38 62 61 A 140 LEU H A 140 LEU HBx 1.0 . 3.61 63 62 A 140 LEU H A 103 TRP HZ2 1.0 . 5.31 64 63 A 140 LEU H A 103 TRP HZ3 1.0 . 5.09 65 64 A 36 GLY H A 40 ASN H 1.0 . 5.07 66 65 A 40 ASN H A 39 GLY HAy 1.0 . 3.08 67 66 A 40 ASN H A 40 ASN HBy 1.0 . 3.60 68 67 A 40 ASN H A 40 ASN HBx 1.0 . 4.04 69 68 A 88 MET H A 87 PHE HBx 1.0 . 4.72 70 69 A 88 MET H A 149 HIS HBx 1.0 . 4.44 71 70 A 88 MET H A 89 ILE HD1% 1.0 . 5.50 72 71 A 37 LYS H A 37 LYS HDy 1.0 . 5.27 73 72 A 140 LEU H A 140 LEU HDx% 1.0 . 5.50 74 73 A 37 LYS H A 37 LYS HGx 1.0 . 5.50 75 74 A 37 LYS H A 113 TRP HZ2 1.0 . 5.32 76 75 A 37 LYS H A 36 GLY HAx 1.0 . 3.55 77 76 A 37 LYS H A 163 ASP HBx 1.0 . 4.22 78 77 A 37 LYS H A 37 LYS HBy 1.0 . 3.75 79 78 A 37 LYS H A 37 LYS HBx 1.0 . 3.85 80 79 A 37 LYS H A 113 TRP HH2 1.0 . 5.19 81 80 A 9 MET HA A 9 MET H 1.0 . 2.88 82 81 A 9 MET H A 9 MET HBx 1.0 . 3.36 83 82 A 9 MET H A 8 LYS HBx 1.0 . 4.29 84 83 A 90 ALA H A 148 ILE HA 1.0 . 3.75 85 84 A 76 LYS HDy A 113 TRP HE1 1.0 . 5.48 86 85 A 9 MET H A 8 LYS HBy 1.0 . 4.56 87 86 A 90 ALA H A 149 HIS HD2 1.0 . 4.97 88 87 A 90 ALA H A 89 ILE HG2% 1.0 . 3.93 89 88 A 82 ALA H A 83 ASN H 1.0 . 5.12 90 89 A 82 ALA H A 81 SER HA 1.0 . 2.93 91 90 A 82 ALA H A 82 ALA HB% 1.0 . 3.24 92 91 A 113 TRP HE1 A 76 LYS HDx 1.0 . 5.31 93 92 A 33 ILE H A 43 GLU H 1.0 . 5.33 94 93 A 43 GLU H A 31 THR HA 1.0 . 5.11 95 94 A 43 GLU H A 42 MET HA 1.0 . 3.09 96 95 A 43 GLU H A 43 GLU HBy 1.0 . 3.50 97 96 A 43 GLU H A 34 VAL HGx% 1.0 . 4.15 98 97 A 43 GLU H A 34 VAL HGy% 1.0 . 3.89 99 98 A 82 ALA H A 83 ASN HBx 1.0 . 5.17 100 98 A 82 ALA H A 83 ASN HBy 1.0 . 5.17 101 99 A 82 ALA H A 81 SER HBx 1.0 . 3.75 102 100 A 44 VAL H A 43 GLU H 1.0 . 4.66 103 101 A 43 GLU H A 33 ILE HA 1.0 . 3.79 104 102 A 19 TRP HE1 A 18 ASN H 1.0 . 4.93 105 103 A 18 ASN H A 18 ASN HBy 1.0 . 4.17 106 104 A 18 ASN H A 17 LEU HBy 1.0 . 4.99 107 105 A 17 LEU HG A 18 ASN H 1.0 . 5.07 108 106 A 17 LEU HDy% A 18 ASN H 1.0 . 3.79 109 107 A 166 LYS H A 72 SER HBx 1.0 . 4.35 110 107 A 72 SER HBy A 166 LYS H 1.0 . 4.35 111 108 A 166 LYS H A 72 SER H 1.0 . 3.74 112 109 A 166 LYS H A 165 ILE HA 1.0 . 2.98 113 110 A 166 LYS H A 73 PHE HBy 1.0 . 4.80 114 111 A 166 LYS H A 166 LYS HBx 1.0 . 3.45 115 112 A 166 LYS H A 165 ILE HG2% 1.0 . 3.82 116 113 A 166 LYS H A 166 LYS HGx 1.0 . 4.40 117 113 A 166 LYS H A 166 LYS HGy 1.0 . 4.40 118 114 A 83 ASN HA A 84 GLU H 1.0 . 3.06 119 115 A 84 GLU H A 83 ASN HBx 1.0 . 4.13 120 115 A 83 ASN HBy A 84 GLU H 1.0 . 4.13 121 116 A 84 GLU H A 84 GLU HBy 1.0 . 3.37 122 117 A 84 GLU H A 84 GLU HBx 1.0 . 3.46 123 118 A 10 LEU H A 166 LYS H 1.0 . 5.04 124 119 A 18 ASN H A 17 LEU H 1.0 . 4.63 125 120 A 18 ASN H A 17 LEU HA 1.0 . 3.51 126 121 A 18 ASN H A 19 TRP HBx 1.0 . 5.41 127 122 A 18 ASN H A 18 ASN HBx 1.0 . 3.80 128 123 A 18 ASN H A 17 LEU HBx 1.0 . 4.59 129 124 A 166 LYS H A 165 ILE H 1.0 . 4.85 130 125 A 73 PHE HD% A 166 LYS H 1.0 . 5.50 131 126 A 84 GLU H A 85 ILE H 1.0 . 4.89 132 127 A 125 ARG H A 125 ARG HDx 1.0 . 4.64 133 127 A 125 ARG H A 125 ARG HDy 1.0 . 4.64 134 128 A 104 VAL H A 126 ARG H 1.0 . 5.09 135 129 A 60 LEU H A 147 SER HA 1.0 . 3.96 136 130 A 60 LEU H A 59 SER HA 1.0 . 3.04 137 131 A 60 LEU H A 59 SER HBx 1.0 . 5.16 138 132 A 60 LEU H A 60 LEU HG 1.0 . 3.57 139 133 A 60 LEU H A 60 LEU HBx 1.0 . 3.23 140 133 A 60 LEU H A 60 LEU HBy 1.0 . 3.23 141 134 A 60 LEU H A 60 LEU HDy% 1.0 . 4.15 142 135 A 102 HIS H A 130 GLN HE2x 1.0 . 5.04 143 136 A 125 ARG H A 126 ARG H 1.0 . 4.71 144 137 A 125 ARG H A 103 TRP HE3 1.0 . 4.07 145 138 A 125 ARG H A 124 ARG HA 1.0 . 3.12 146 139 A 125 ARG H A 124 ARG HBy 1.0 . 3.99 147 140 A 125 ARG H A 124 ARG HGx 1.0 . 4.18 148 140 A 125 ARG H A 124 ARG HGy 1.0 . 4.18 149 141 A 125 ARG H A 125 ARG HBy 1.0 . 3.63 150 142 A 125 ARG H A 125 ARG HBx 1.0 . 3.77 151 143 A 126 ARG H A 129 TYR HD% 1.0 . 5.50 152 144 A 126 ARG H A 103 TRP HA 1.0 . 4.72 153 145 A 126 ARG H A 127 LEU HDy% 1.0 . 5.32 154 146 A 126 ARG H A 127 LEU H 1.0 . 5.37 155 147 A 126 ARG H A 130 GLN HE2x 1.0 . 4.52 156 148 A 126 ARG H A 125 ARG HA 1.0 . 3.42 157 149 A 126 ARG H A 126 ARG HGx 1.0 . 5.50 158 150 A 126 ARG H A 125 ARG HGy 1.0 . 4.68 159 151 A 125 ARG H A 125 ARG HGx 1.0 . 5.18 160 152 A 102 HIS HBy A 103 TRP H 1.0 . 4.17 161 153 A 71 ILE H A 118 ILE H 1.0 . 3.74 162 154 A 118 ILE H A 72 SER HA 1.0 . 3.86 163 155 A 118 ILE H A 117 GLU HA 1.0 . 3.25 164 156 A 118 ILE H A 117 GLU HBy 1.0 . 4.52 165 157 A 118 ILE H A 118 ILE HG1y 1.0 . 3.74 166 158 A 118 ILE H A 72 SER HBx 1.0 . 4.51 167 158 A 72 SER HBy A 118 ILE H 1.0 . 4.51 168 159 A 118 ILE H A 71 ILE HG2% 1.0 . 4.48 169 160 A 118 ILE H A 118 ILE HD1% 1.0 . 4.91 170 161 A 118 ILE H A 118 ILE HG1x 1.0 . 4.57 171 162 A 145 ILE HA A 146 ASP H 1.0 . 3.32 172 163 A 146 ASP H A 146 ASP HBy 1.0 . 3.73 173 164 A 146 ASP H A 145 ILE HG2% 1.0 . 3.97 174 165 A 103 TRP H A 123 PHE HD% 1.0 . 5.42 175 166 A 103 TRP H A 102 HIS HD2 1.0 . 5.00 176 167 A 60 LEU HG A 65 TRP HE1 1.0 . 5.50 177 168 A 65 TRP HE1 A 60 LEU HDx% 1.0 . 4.37 178 169 A 60 LEU HDy% A 65 TRP HE1 1.0 . 3.98 179 170 A 65 TRP HE1 A 167 LEU HDx% 1.0 . 4.63 180 171 A 65 TRP HE1 A 63 GLY HAy 1.0 . 5.09 181 172 A 65 TRP HE1 A 167 LEU HDy% 1.0 . 5.45 182 173 A 103 TRP H A 104 VAL HGx% 1.0 . 5.50 183 174 A 120 PHE H A 120 PHE HBx 1.0 . 4.05 184 175 A 120 PHE H A 119 PRO HBy 1.0 . 4.61 185 176 A 89 ILE HG2% A 89 ILE H 1.0 . 5.04 186 177 A 89 ILE H A 88 MET HGx 1.0 . 3.72 187 177 A 88 MET HGy A 89 ILE H 1.0 . 3.72 188 178 A 120 PHE H A 120 PHE HD% 1.0 . 4.34 189 179 A 120 PHE H A 70 LYS HGx 1.0 . 5.50 190 179 A 120 PHE H A 70 LYS HGy 1.0 . 5.50 191 180 A 89 ILE H A 88 MET HA 1.0 . 3.33 192 181 A 89 ILE H A 89 ILE HG1x 1.0 . 4.53 193 181 A 89 ILE H A 89 ILE HG1y 1.0 . 4.53 194 182 A 127 LEU H A 126 ARG HA 1.0 . 3.24 195 183 A 127 LEU H A 127 LEU HBy 1.0 . 3.33 196 184 A 17 LEU HG A 17 LEU H 1.0 . 4.50 197 185 A 75 ILE H A 76 LYS H 1.0 . 4.43 198 186 A 76 LYS H A 75 ILE HG1y 1.0 . 3.47 199 187 A 76 LYS H A 161 VAL H 1.0 . 3.40 200 188 A 76 LYS H A 75 ILE HA 1.0 . 2.92 201 189 A 76 LYS H A 160 PHE HBx 1.0 . 4.74 202 189 A 76 LYS H A 160 PHE HBy 1.0 . 4.74 203 190 A 76 LYS H A 161 VAL HB 1.0 . 4.55 204 191 A 76 LYS H A 75 ILE HG1x 1.0 . 4.31 205 192 A 115 THR HA A 117 GLU H 1.0 . 5.08 206 193 A 117 GLU H A 117 GLU HBx 1.0 . 4.09 207 194 A 90 ALA H A 89 ILE H 1.0 . 4.67 208 195 A 127 LEU H A 128 ASP H 1.0 . 3.82 209 196 A 127 LEU H A 127 LEU HBx 1.0 . 4.19 210 197 A 127 LEU HDy% A 127 LEU H 1.0 . 4.92 211 198 A 33 ILE H A 32 LYS HA 1.0 . 2.94 212 199 A 33 ILE H A 33 ILE HB 1.0 . 3.02 213 200 A 33 ILE H A 32 LYS HBx 1.0 . 3.30 214 201 A 33 ILE H A 33 ILE HG1x 1.0 . 3.56 215 202 A 33 ILE H A 33 ILE HG2% 1.0 . 4.46 216 203 A 17 LEU H A 16 VAL HA 1.0 . 2.68 217 204 A 17 LEU HBy A 17 LEU H 1.0 . 2.85 218 205 A 17 LEU H A 17 LEU HBx 1.0 . 3.18 219 206 A 76 LYS H A 75 ILE HG2% 1.0 . 5.24 220 207 A 116 ILE H A 117 GLU H 1.0 . 4.35 221 208 A 118 ILE H A 117 GLU H 1.0 . 4.39 222 209 A 117 GLU H A 116 ILE HA 1.0 . 2.73 223 210 A 117 GLU H A 117 GLU HGy 1.0 . 4.14 224 211 A 117 GLU H A 117 GLU HGx 1.0 . 3.47 225 212 A 116 ILE HG2% A 117 GLU H 1.0 . 3.83 226 213 A 127 LEU H A 129 TYR HBx 1.0 . 5.37 227 214 A 33 ILE H A 34 VAL H 1.0 . 4.66 228 215 A 12 ASP H A 13 PHE HD% 1.0 . 5.45 229 216 A 12 ASP H A 11 ASP HA 1.0 . 3.11 230 217 A 87 PHE H A 105 TYR HBy 1.0 . 4.32 231 218 A 110 ASP H A 111 SER H 1.0 . 4.67 232 219 A 19 TRP HE3 A 57 VAL H 1.0 . 5.01 233 220 A 57 VAL H A 21 SER HA 1.0 . 4.06 234 221 A 58 TYR H A 57 VAL H 1.0 . 5.41 235 222 A 57 VAL H A 56 THR HG2% 1.0 . 5.12 236 223 A 57 VAL H A 22 TYR HE% 1.0 . 4.77 237 224 A 113 TRP HBy A 114 LYS H 1.0 . 4.10 238 225 A 46 TYR H A 47 THR HA 1.0 . 5.26 239 226 A 169 GLY HAy A 170 ALA H 1.0 . 3.23 240 227 A 170 ALA H A 170 ALA HB% 1.0 . 3.14 241 228 A 170 ALA H A 169 GLY H 1.0 . 4.56 242 229 A 170 ALA H A 169 GLY HAx 1.0 . 3.42 243 230 A 105 TYR HA A 106 SER H 1.0 . 3.03 244 231 A 106 SER H A 106 SER HBy 1.0 . 3.91 245 232 A 106 SER H A 106 SER HBx 1.0 . 3.24 246 233 A 106 SER H A 105 TYR HBx 1.0 . 4.97 247 234 A 87 PHE HBx A 87 PHE H 1.0 . 3.82 248 235 A 87 PHE H A 86 ARG HA 1.0 . 3.04 249 236 A 87 PHE HBy A 87 PHE H 1.0 . 3.74 250 237 A 104 VAL H A 105 TYR H 1.0 . 4.93 251 238 A 105 TYR H A 104 VAL HA 1.0 . 3.13 252 239 A 105 TYR HBy A 105 TYR H 1.0 . 4.08 253 240 A 105 TYR H A 104 VAL HB 1.0 . 3.30 254 241 A 106 SER H A 105 TYR H 1.0 . 4.52 255 242 A 110 ASP H A 109 PRO HA 1.0 . 2.83 256 243 A 110 ASP H A 77 SER HBx 1.0 . 5.09 257 244 A 110 ASP H A 110 ASP HBy 1.0 . 3.99 258 245 A 110 ASP H A 110 ASP HBx 1.0 . 4.06 259 246 A 110 ASP H A 76 LYS HA 1.0 . 4.78 260 247 A 75 ILE HG2% A 110 ASP H 1.0 . 5.46 261 248 A 57 VAL H A 20 GLY HAx 1.0 . 3.69 262 249 A 57 VAL H A 56 THR HA 1.0 . 3.09 263 250 A 57 VAL H A 56 THR HB 1.0 . 4.20 264 251 A 57 VAL HGy% A 57 VAL H 1.0 . 3.38 265 252 A 57 VAL HGx% A 57 VAL H 1.0 . 4.71 266 253 A 57 VAL H A 19 TRP HBy 1.0 . 4.98 267 254 A 114 LYS H A 113 TRP H 1.0 . 5.02 268 255 A 114 LYS H A 74 ASP HBy 1.0 . 4.99 269 256 A 115 THR HA A 114 LYS H 1.0 . 5.11 270 257 A 114 LYS H A 113 TRP HA 1.0 . 2.91 271 258 A 114 LYS H A 114 LYS HBy 1.0 . 3.41 272 259 A 46 TYR H A 47 THR H 1.0 . 4.69 273 260 A 46 TYR H A 159 LYS HGy 1.0 . 4.77 274 261 A 46 TYR H A 46 TYR HD% 1.0 . 3.57 275 262 A 46 TYR H A 159 LYS HA 1.0 . 3.96 276 263 A 46 TYR H A 45 SER HA 1.0 . 3.26 277 264 A 46 TYR H A 45 SER HBx 1.0 . 4.52 278 265 A 44 VAL HGy% A 46 TYR H 1.0 . 5.38 279 266 A 105 TYR HBy A 106 SER H 1.0 . 5.15 280 267 A 27 ALA H A 28 LYS H 1.0 . 4.68 281 268 A 27 ALA H A 26 GLY H 1.0 . 3.28 282 269 A 27 ALA H A 26 GLY HAy 1.0 . 3.53 283 270 A 27 ALA H A 27 ALA HB% 1.0 . 3.09 284 271 A 27 ALA H A 49 THR HG2% 1.0 . 4.12 285 272 A 87 PHE H A 107 ILE HD1% 1.0 . 4.35 286 273 A 87 PHE H A 106 SER HA 1.0 . 4.08 287 274 A 105 TYR H A 107 ILE HD1% 1.0 . 5.24 288 275 A 104 VAL HGx% A 105 TYR H 1.0 . 4.80 289 276 A 92 LYS HDx A 145 ILE H 1.0 . 5.44 290 277 A 145 ILE HG2% A 145 ILE H 1.0 . 4.94 291 278 A 145 ILE H A 64 ASP HA 1.0 . 4.96 292 279 A 63 GLY HAy A 145 ILE H 1.0 . 5.27 293 280 A 145 ILE H A 145 ILE HG1y 1.0 . 3.91 294 281 A 145 ILE H A 145 ILE HB 1.0 . 3.49 295 282 A 145 ILE H A 145 ILE HG1x 1.0 . 4.54 296 283 A 145 ILE H A 145 ILE HD1% 1.0 . 4.92 297 284 A 145 ILE H A 63 GLY H 1.0 . 5.40 298 285 A 58 TYR HA A 59 SER H 1.0 . 2.94 299 286 A 59 SER H A 59 SER HBy 1.0 . 3.67 300 287 A 145 ILE H A 63 GLY HAx 1.0 . 4.59 301 288 A 145 ILE H A 92 LYS H 1.0 . 5.38 302 289 A 58 TYR HD% A 59 SER H 1.0 . 3.98 303 290 A 59 SER H A 19 TRP HA 1.0 . 4.64 304 291 A 57 VAL HGx% A 59 SER H 1.0 . 4.66 305 292 A 7 GLU HBy A 8 LYS H 1.0 . 4.53 306 293 A 142 LEU H A 143 ASP H 1.0 . 4.09 307 294 A 142 LEU H A 142 LEU HBy 1.0 . 3.68 308 295 A 142 LEU HG A 142 LEU H 1.0 . 4.36 309 296 A 142 LEU H A 141 ASP HA 1.0 . 3.24 310 297 A 142 LEU H A 142 LEU HDy% 1.0 . 3.83 311 298 A 142 LEU H A 142 LEU HDx% 1.0 . 4.93 312 299 A 93 SER HA A 94 ILE H 1.0 . 3.30 313 300 A 172 GLU H A 172 GLU HGx 1.0 . 4.04 314 301 A 172 GLU H A 172 GLU HBx 1.0 . 3.25 315 302 A 172 GLU HGx A 171 LEU H 1.0 . 5.50 316 303 A 172 GLU H A 171 LEU H 1.0 . 4.28 317 304 A 172 GLU HBx A 171 LEU H 1.0 . 5.04 318 305 A 171 LEU H A 171 LEU HBx 1.0 . 3.09 319 305 A 171 LEU H A 171 LEU HBy 1.0 . 3.09 320 306 A 170 ALA HB% A 171 LEU H 1.0 . 3.81 321 307 A 94 ILE H A 93 SER HBy 1.0 . 4.16 322 308 A 94 ILE H A 94 ILE HG2% 1.0 . 3.98 323 309 A 44 VAL H A 160 PHE H 1.0 . 3.36 324 310 A 45 SER HA A 160 PHE H 1.0 . 4.56 325 311 A 160 PHE H A 78 VAL HGx% 1.0 . 4.47 326 312 A 160 PHE H A 45 SER H 1.0 . 5.19 327 313 A 160 PHE H A 160 PHE HD% 1.0 . 4.19 328 314 A 33 ILE HB A 34 VAL H 1.0 . 4.81 329 315 A 172 GLU H A 171 LEU HA 1.0 . 2.66 330 316 A 172 GLU H A 171 LEU HBx 1.0 . 4.23 331 316 A 172 GLU H A 171 LEU HBy 1.0 . 4.23 332 317 A 170 ALA HB% A 172 GLU H 1.0 . 4.79 333 318 A 172 GLU H A 171 LEU HDx% 1.0 . 4.35 334 319 A 15 GLY HAx A 16 VAL H 1.0 . 2.89 335 320 A 16 VAL H A 16 VAL HB 1.0 . 3.12 336 321 A 16 VAL H A 16 VAL HGy% 1.0 . 3.09 337 322 A 94 ILE H A 94 ILE HB 1.0 . 3.91 338 323 A 159 LYS HA A 160 PHE H 1.0 . 2.64 339 324 A 160 PHE H A 160 PHE HBx 1.0 . 4.18 340 324 A 160 PHE HBy A 160 PHE H 1.0 . 4.18 341 325 A 160 PHE H A 159 LYS HBx 1.0 . 4.30 342 326 A 91 GLU H A 102 HIS HA 1.0 . 4.76 343 327 A 33 ILE HA A 34 VAL H 1.0 . 3.12 344 328 A 34 VAL HGy% A 34 VAL H 1.0 . 3.33 345 329 A 161 VAL H A 162 VAL H 1.0 . 4.68 346 330 A 172 GLU H A 172 GLU HGy 1.0 . 4.85 347 331 A 16 VAL H A 15 GLY HAy 1.0 . 3.49 348 332 A 66 SER HA A 68 TRP H 1.0 . 4.86 349 333 A 75 ILE H A 74 ASP H 1.0 . 4.83 350 334 A 102 HIS HD2 A 91 GLU H 1.0 . 5.28 351 335 A 91 GLU H A 91 GLU HBx 1.0 . 3.57 352 336 A 89 ILE HG2% A 91 GLU H 1.0 . 5.50 353 337 A 91 GLU H A 91 GLU HGx 1.0 . 4.00 354 337 A 91 GLU H A 91 GLU HGy 1.0 . 4.00 355 338 A 91 GLU H A 90 ALA HB% 1.0 . 4.24 356 339 A 33 ILE HG1x A 34 VAL H 1.0 . 5.00 357 340 A 43 GLU H A 34 VAL H 1.0 . 5.37 358 341 A 161 VAL HA A 162 VAL H 1.0 . 3.10 359 342 A 68 TRP H A 68 TRP HD1 1.0 . 4.69 360 343 A 85 ILE HA A 153 ALA H 1.0 . 5.03 361 344 A 153 ALA H A 152 TYR HA 1.0 . 3.52 362 345 A 152 TYR HBy A 153 ALA H 1.0 . 4.53 363 346 A 152 TYR HBx A 153 ALA H 1.0 . 5.15 364 347 A 153 ALA H A 85 ILE HG2% 1.0 . 5.50 365 348 A 75 ILE H A 114 LYS H 1.0 . 3.42 366 349 A 115 THR HA A 75 ILE H 1.0 . 3.91 367 350 A 75 ILE H A 74 ASP HBx 1.0 . 4.99 368 351 A 75 ILE H A 75 ILE HB 1.0 . 3.97 369 352 A 116 ILE H A 75 ILE H 1.0 . 4.32 370 353 A 73 PHE HD% A 75 ILE H 1.0 . 4.36 371 354 A 74 ASP HA A 75 ILE H 1.0 . 2.87 372 355 A 75 ILE H A 113 TRP HA 1.0 . 4.38 373 356 A 75 ILE H A 74 ASP HBy 1.0 . 3.99 374 357 A 75 ILE H A 114 LYS HBy 1.0 . 4.53 375 358 A 75 ILE H A 75 ILE HG2% 1.0 . 3.40 376 359 A 75 ILE H A 75 ILE HD1% 1.0 . 5.50 377 360 A 72 SER H A 71 ILE HB 1.0 . 4.28 378 361 A 115 THR H A 115 THR HG2% 1.0 . 4.48 379 362 A 161 VAL HB A 162 VAL H 1.0 . 4.20 380 363 A 68 TRP H A 66 SER H 1.0 . 5.16 381 364 A 68 TRP H A 68 TRP HBx 1.0 . 4.15 382 365 A 129 TYR HA A 130 GLN H 1.0 . 3.26 383 366 A 129 TYR HD% A 130 GLN H 1.0 . 4.43 384 367 A 72 SER H A 71 ILE HA 1.0 . 3.06 385 368 A 72 SER H A 72 SER HBx 1.0 . 3.36 386 368 A 72 SER HBy A 72 SER H 1.0 . 3.36 387 369 A 72 SER H A 71 ILE HG1x 1.0 . 3.66 388 370 A 72 SER H A 167 LEU HA 1.0 . 4.58 389 371 A 115 THR H A 114 LYS HDx 1.0 . 4.59 390 372 A 115 THR H A 114 LYS HA 1.0 . 3.04 391 373 A 115 THR H A 115 THR HB 1.0 . 2.89 392 374 A 45 SER H A 30 SER H 1.0 . 3.53 393 375 A 10 LEU H A 167 LEU H 1.0 . 4.46 394 376 A 145 ILE H A 144 ASN H 1.0 . 4.08 395 377 A 144 ASN H A 144 ASN HBy 1.0 . 4.03 396 378 A 44 VAL HGy% A 30 SER H 1.0 . 4.36 397 379 A 30 SER H A 29 VAL HA 1.0 . 2.82 398 380 A 115 THR H A 114 LYS HEx 1.0 . 4.90 399 381 A 30 SER H A 29 VAL HGx% 1.0 . 3.43 400 382 A 30 SER H A 29 VAL HB 1.0 . 4.52 401 383 A 9 MET HA A 167 LEU H 1.0 . 4.57 402 384 A 166 LYS HA A 167 LEU H 1.0 . 3.32 403 385 A 166 LYS HBy A 167 LEU H 1.0 . 4.21 404 386 A 45 SER H A 31 THR HG2% 1.0 . 5.01 405 387 A 167 LEU H A 166 LYS HGx 1.0 . 4.84 406 387 A 166 LYS HGy A 167 LEU H 1.0 . 4.84 407 388 A 167 LEU H A 167 LEU HG 1.0 . 4.43 408 389 A 167 LEU HDy% A 167 LEU H 1.0 . 5.21 409 390 A 166 LYS H A 167 LEU H 1.0 . 4.62 410 391 A 45 SER H A 44 VAL HA 1.0 . 2.77 411 392 A 45 SER H A 30 SER HBx 1.0 . 4.49 412 392 A 45 SER H A 30 SER HBy 1.0 . 4.49 413 393 A 45 SER H A 45 SER HBy 1.0 . 3.57 414 394 A 45 SER HBx A 45 SER H 1.0 . 3.53 415 395 A 167 LEU H A 167 LEU HBy 1.0 . 3.77 416 396 A 113 TRP H A 76 LYS HGx 1.0 . 4.79 417 397 A 113 TRP H A 113 TRP HD1 1.0 . 3.73 418 398 A 113 TRP H A 112 SER HA 1.0 . 3.10 419 399 A 76 LYS HDx A 113 TRP H 1.0 . 4.38 420 400 A 144 ASN H A 144 ASN HBx 1.0 . 3.63 421 401 A 145 ILE HD1% A 144 ASN H 1.0 . 4.65 422 402 A 124 ARG H A 124 ARG HGx 1.0 . 4.80 423 402 A 124 ARG HGy A 124 ARG H 1.0 . 4.80 424 403 A 123 PHE HD% A 124 ARG H 1.0 . 4.46 425 404 A 124 ARG H A 124 ARG HE 1.0 . 4.46 426 405 A 104 VAL HA A 124 ARG H 1.0 . 4.60 427 406 A 124 ARG H A 123 PHE HA 1.0 . 3.17 428 407 A 124 ARG HBy A 124 ARG H 1.0 . 4.14 429 408 A 104 VAL HGx% A 124 ARG H 1.0 . 4.83 430 409 A 124 ARG H A 123 PHE HBy 1.0 . 4.61 431 410 A 113 TRP HBy A 113 TRP H 1.0 . 3.56 432 411 A 113 TRP H A 113 TRP HBx 1.0 . 3.22 433 412 A 150 PHE H A 151 MET H 1.0 . 5.08 434 413 A 151 MET H A 85 ILE HD1% 1.0 . 5.21 435 414 A 74 ASP H A 162 VAL HA 1.0 . 4.79 436 415 A 74 ASP H A 162 VAL HGy% 1.0 . 5.34 437 416 A 74 ASP H A 163 ASP H 1.0 . 3.84 438 417 A 73 PHE HD% A 74 ASP H 1.0 . 4.20 439 418 A 74 ASP H A 73 PHE HA 1.0 . 2.93 440 419 A 73 PHE HBy A 74 ASP H 1.0 . 3.94 441 420 A 74 ASP H A 73 PHE HBx 1.0 . 3.37 442 421 A 74 ASP H A 164 ASN HBy 1.0 . 4.15 443 422 A 74 ASP HBy A 74 ASP H 1.0 . 3.90 444 423 A 74 ASP H A 164 ASN HBx 1.0 . 4.32 445 424 A 74 ASP H A 74 ASP HBx 1.0 . 3.43 446 425 A 106 SER H A 107 ILE H 1.0 . 4.71 447 426 A 106 SER HBx A 107 ILE H 1.0 . 4.17 448 427 A 107 ILE H A 107 ILE HG1y 1.0 . 4.95 449 428 A 106 SER HA A 107 ILE H 1.0 . 2.96 450 429 A 107 ILE H A 107 ILE HB 1.0 . 4.21 451 430 A 107 ILE H A 107 ILE HG1x 1.0 . 4.07 452 431 A 107 ILE H A 107 ILE HG2% 1.0 . 3.93 453 432 A 107 ILE H A 85 ILE HG1x 1.0 . 4.71 454 433 A 86 ARG HA A 107 ILE H 1.0 . 3.83 455 434 A 83 ASN H A 82 ALA HA 1.0 . 3.26 456 435 A 83 ASN H A 83 ASN HBx 1.0 . 3.29 457 435 A 83 ASN H A 83 ASN HBy 1.0 . 3.29 458 436 A 83 ASN H A 82 ALA HB% 1.0 . 4.20 459 437 A 120 PHE HA A 123 PHE H 1.0 . 4.94 460 438 A 123 PHE HBy A 123 PHE H 1.0 . 3.45 461 439 A 19 TRP HBy A 19 TRP H 1.0 . 4.09 462 440 A 18 ASN HBx A 19 TRP H 1.0 . 4.99 463 441 A 151 MET H A 150 PHE HD% 1.0 . 4.73 464 442 A 151 MET H A 150 PHE HBy 1.0 . 4.45 465 443 A 151 MET H A 86 ARG H 1.0 . 3.89 466 444 A 151 MET H A 152 TYR H 1.0 . 4.91 467 445 A 151 MET H A 150 PHE HA 1.0 . 2.96 468 446 A 151 MET H A 150 PHE HBx 1.0 . 4.21 469 447 A 151 MET H A 151 MET HGx 1.0 . 3.81 470 448 A 160 PHE HA A 161 VAL H 1.0 . 3.01 471 449 A 161 VAL HGx% A 161 VAL H 1.0 . 3.40 472 450 A 161 VAL H A 160 PHE HBx 1.0 . 3.25 473 450 A 161 VAL H A 160 PHE HBy 1.0 . 3.25 474 451 A 161 VAL H A 161 VAL HB 1.0 . 3.65 475 452 A 161 VAL H A 78 VAL HGx% 1.0 . 3.79 476 453 A 74 ASP H A 73 PHE H 1.0 . 4.84 477 454 A 106 SER HBy A 107 ILE H 1.0 . 3.88 478 455 A 83 ASN H A 81 SER HBx 1.0 . 4.23 479 456 A 160 PHE HA A 78 VAL H 1.0 . 3.43 480 457 A 78 VAL H A 77 SER HG 1.0 . 4.77 481 458 A 78 VAL H A 78 VAL HB 1.0 . 3.70 482 459 A 78 VAL HGx% A 78 VAL H 1.0 . 3.64 483 460 A 78 VAL H A 77 SER HBy 1.0 . 4.32 484 461 A 124 ARG H A 123 PHE H 1.0 . 4.90 485 462 A 123 PHE H A 123 PHE HBx 1.0 . 4.11 486 463 A 123 PHE HD% A 123 PHE H 1.0 . 3.43 487 464 A 95 ASN H A 97 VAL H 1.0 . 4.35 488 465 A 97 VAL H A 96 GLY H 1.0 . 3.59 489 466 A 97 VAL H A 93 SER HG 1.0 . 3.63 490 467 A 97 VAL H A 97 VAL HB 1.0 . 3.04 491 468 A 97 VAL H A 97 VAL HGx% 1.0 . 3.60 492 469 A 97 VAL H A 98 GLY H 1.0 . 4.50 493 470 A 19 TRP H A 20 GLY H 1.0 . 5.08 494 471 A 19 TRP HBx A 19 TRP H 1.0 . 3.53 495 472 A 18 ASN H A 19 TRP H 1.0 . 3.58 496 473 A 17 LEU HA A 19 TRP H 1.0 . 5.47 497 474 A 17 LEU HG A 19 TRP H 1.0 . 3.46 498 475 A 17 LEU HDy% A 19 TRP H 1.0 . 4.13 499 476 A 19 TRP H A 17 LEU HDx% 1.0 . 5.50 500 477 A 129 TYR H A 126 ARG HDx 1.0 . 5.30 501 477 A 126 ARG HDy A 129 TYR H 1.0 . 5.30 502 478 A 43 GLU H A 32 LYS H 1.0 . 3.44 503 479 A 32 LYS H A 32 LYS HGy 1.0 . 4.68 504 480 A 31 THR HA A 32 LYS H 1.0 . 2.78 505 481 A 32 LYS H A 31 THR HB 1.0 . 3.80 506 482 A 32 LYS H A 32 LYS HDy 1.0 . 3.69 507 483 A 32 LYS HBx A 32 LYS H 1.0 . 3.98 508 484 A 32 LYS H A 32 LYS HDx 1.0 . 4.35 509 485 A 160 PHE HA A 79 ASP H 1.0 . 4.84 510 486 A 77 SER HG A 79 ASP H 1.0 . 4.30 511 487 A 79 ASP H A 78 VAL HA 1.0 . 3.27 512 488 A 77 SER HBy A 79 ASP H 1.0 . 4.67 513 489 A 79 ASP H A 79 ASP HBy 1.0 . 4.01 514 490 A 79 ASP H A 79 ASP HBx 1.0 . 3.85 515 491 A 78 VAL HB A 79 ASP H 1.0 . 4.36 516 492 A 79 ASP H A 78 VAL HGy% 1.0 . 4.45 517 493 A 77 SER HBx A 79 ASP H 1.0 . 4.79 518 494 A 78 VAL HGx% A 79 ASP H 1.0 . 4.32 519 495 A 93 SER HBy A 97 VAL H 1.0 . 5.26 520 496 A 97 VAL H A 93 SER HBx 1.0 . 4.02 521 497 A 127 LEU H A 129 TYR H 1.0 . 4.72 522 498 A 129 TYR HBx A 129 TYR H 1.0 . 3.35 523 499 A 126 ARG HGx A 129 TYR H 1.0 . 4.05 524 500 A 76 LYS HA A 77 SER H 1.0 . 3.13 525 501 A 77 SER H A 111 SER HA 1.0 . 3.71 526 502 A 77 SER HBy A 77 SER H 1.0 . 3.50 527 503 A 77 SER HBx A 77 SER H 1.0 . 3.31 528 504 A 163 ASP H A 113 TRP HZ3 1.0 . 4.79 529 505 A 162 VAL HA A 163 ASP H 1.0 . 2.97 530 506 A 73 PHE HBy A 163 ASP H 1.0 . 5.40 531 507 A 163 ASP H A 73 PHE HBx 1.0 . 4.55 532 508 A 74 ASP HBx A 163 ASP H 1.0 . 4.18 533 509 A 75 ILE HB A 163 ASP H 1.0 . 5.27 534 510 A 162 VAL H A 163 ASP H 1.0 . 4.51 535 511 A 99 ASP H A 100 GLY H 1.0 . 4.92 536 512 A 99 ASP H A 98 GLY HAy 1.0 . 3.14 537 513 A 99 ASP H A 98 GLY HAx 1.0 . 3.40 538 514 A 99 ASP H A 99 ASP HBy 1.0 . 3.82 539 515 A 156 LYS H A 156 LYS HGx 1.0 . 3.60 540 515 A 156 LYS H A 156 LYS HGy 1.0 . 3.60 541 516 A 156 LYS H A 156 LYS HBx 1.0 . 3.15 542 516 A 156 LYS H A 156 LYS HBy 1.0 . 3.15 543 517 A 79 ASP H A 77 SER H 1.0 . 5.50 544 518 A 5 VAL H A 6 GLY H 1.0 . 4.84 545 519 A 43 GLU H A 42 MET H 1.0 . 4.61 546 520 A 76 LYS HDx A 77 SER H 1.0 . 4.88 547 521 A 76 LYS HGx A 77 SER H 1.0 . 4.48 548 522 A 162 VAL H A 42 MET H 1.0 . 3.54 549 523 A 42 MET H A 41 GLY HAy 1.0 . 3.51 550 524 A 42 MET H A 41 GLY HAx 1.0 . 3.40 551 525 A 42 MET H A 42 MET HGy 1.0 . 5.19 552 526 A 42 MET H A 42 MET HBy 1.0 . 3.33 553 527 A 42 MET H A 42 MET HBx 1.0 . 3.74 554 528 A 42 MET H A 41 GLY H 1.0 . 4.88 555 529 A 161 VAL HA A 42 MET H 1.0 . 4.70 556 530 A 150 PHE HA A 149 HIS H 1.0 . 4.83 557 531 A 149 HIS H A 148 ILE HB 1.0 . 3.70 558 532 A 47 THR H A 27 ALA HB% 1.0 . 5.40 559 533 A 47 THR H A 48 GLY H 1.0 . 4.83 560 534 A 47 THR H A 46 TYR HA 1.0 . 3.06 561 535 A 47 THR H A 47 THR HB 1.0 . 3.53 562 536 A 135 ASP H A 136 MET H 1.0 . 4.53 563 537 A 107 ILE HA A 108 THR H 1.0 . 3.03 564 538 A 108 THR H A 108 THR HB 1.0 . 3.59 565 539 A 107 ILE HG1y A 108 THR H 1.0 . 5.33 566 540 A 165 ILE H A 165 ILE HG1x 1.0 . 3.53 567 540 A 165 ILE H A 165 ILE HG1y 1.0 . 3.53 568 541 A 71 ILE H A 70 LYS HA 1.0 . 3.22 569 542 A 71 ILE H A 70 LYS HBy 1.0 . 3.71 570 543 A 88 MET H A 149 HIS H 1.0 . 3.84 571 544 A 149 HIS HD2 A 149 HIS H 1.0 . 3.81 572 545 A 148 ILE HA A 149 HIS H 1.0 . 3.23 573 546 A 149 HIS H A 148 ILE HD1% 1.0 . 5.06 574 547 A 148 ILE HG2% A 149 HIS H 1.0 . 4.45 575 548 A 149 HIS HBx A 149 HIS H 1.0 . 4.11 576 549 A 137 SER H A 138 GLY H 1.0 . 3.57 577 550 A 136 MET H A 137 SER H 1.0 . 3.95 578 551 A 137 SER H A 137 SER HBx 1.0 . 3.46 579 552 A 137 SER H A 136 MET HBx 1.0 . 5.09 580 553 A 135 ASP H A 134 GLN HBx 1.0 . 5.20 581 554 A 135 ASP H A 134 GLN HA 1.0 . 3.34 582 555 A 50 THR H A 50 THR HG2% 1.0 . 5.50 583 556 A 108 THR H A 108 THR HG2% 1.0 . 4.43 584 557 A 21 SER HBx A 22 TYR H 1.0 . 3.48 585 558 A 165 ILE H A 165 ILE HB 1.0 . 3.27 586 559 A 165 ILE HG2% A 165 ILE H 1.0 . 4.18 587 560 A 165 ILE H A 166 LYS HGx 1.0 . 4.92 588 560 A 166 LYS HGy A 165 ILE H 1.0 . 4.92 589 561 A 72 SER H A 71 ILE H 1.0 . 5.30 590 562 A 71 ILE H A 167 LEU HA 1.0 . 5.05 591 563 A 71 ILE H A 71 ILE HG2% 1.0 . 3.65 592 564 A 71 ILE H A 71 ILE HD1% 1.0 . 5.20 593 565 A 85 ILE H A 84 GLU HGx 1.0 . 4.00 594 566 A 85 ILE H A 85 ILE HG1y 1.0 . 3.75 595 567 A 85 ILE H A 85 ILE HD1% 1.0 . 5.01 596 568 A 22 TYR H A 22 TYR HD% 1.0 . 4.01 597 569 A 22 TYR HE% A 22 TYR H 1.0 . 5.00 598 570 A 56 THR HA A 22 TYR H 1.0 . 4.17 599 571 A 21 SER HA A 22 TYR H 1.0 . 3.00 600 572 A 22 TYR H A 29 VAL HGy% 1.0 . 3.81 601 573 A 22 TYR H A 21 SER HBy 1.0 . 3.48 602 574 A 22 TYR H A 22 TYR HBx 1.0 . 4.14 603 575 A 50 THR H A 51 ASP H 1.0 . 3.82 604 576 A 51 ASP H A 51 ASP HBx 1.0 . 3.43 605 577 A 51 ASP H A 51 ASP HBy 1.0 . 3.89 606 578 A 50 THR HG2% A 51 ASP H 1.0 . 4.01 607 579 A 23 SER HBy A 29 VAL H 1.0 . 4.36 608 580 A 29 VAL H A 23 SER HBx 1.0 . 5.22 609 581 A 29 VAL H A 28 LYS HBx 1.0 . 4.60 610 582 A 29 VAL H A 28 LYS HA 1.0 . 3.18 611 583 A 29 VAL H A 28 LYS HGx 1.0 . 4.71 612 583 A 29 VAL H A 28 LYS HGy 1.0 . 4.71 613 584 A 29 VAL HGy% A 29 VAL H 1.0 . 3.48 614 585 A 84 GLU HBy A 85 ILE H 1.0 . 4.14 615 586 A 85 ILE H A 85 ILE HG2% 1.0 . 4.24 616 587 A 85 ILE H A 84 GLU HA 1.0 . 3.02 617 588 A 85 ILE H A 84 GLU HGy 1.0 . 3.66 618 589 A 85 ILE H A 85 ILE HG1x 1.0 . 3.84 619 590 A 28 LYS H A 54 TRP HD1 1.0 . 4.72 620 591 A 28 LYS H A 27 ALA HB% 1.0 . 3.55 621 592 A 92 LYS H A 144 ASN HBy 1.0 . 5.07 622 593 A 145 ILE HA A 92 LYS H 1.0 . 4.47 623 594 A 92 LYS H A 92 LYS HBx 1.0 . 3.58 624 595 A 165 ILE H A 164 ASN H 1.0 . 4.03 625 596 A 13 PHE HE% A 164 ASN H 1.0 . 4.73 626 597 A 164 ASN H A 12 ASP HBy 1.0 . 4.76 627 598 A 84 GLU HBx A 85 ILE H 1.0 . 4.75 628 599 A 47 THR H A 28 LYS H 1.0 . 3.78 629 600 A 28 LYS H A 27 ALA HA 1.0 . 3.02 630 601 A 28 LYS H A 47 THR HB 1.0 . 3.40 631 602 A 28 LYS H A 28 LYS HBy 1.0 . 4.17 632 603 A 28 LYS H A 28 LYS HGx 1.0 . 4.20 633 603 A 28 LYS H A 28 LYS HGy 1.0 . 4.20 634 604 A 95 ASN H A 94 ILE HG1x 1.0 . 4.49 635 605 A 94 ILE H A 95 ASN H 1.0 . 3.57 636 606 A 93 SER HA A 95 ASN H 1.0 . 3.92 637 607 A 93 SER HBy A 95 ASN H 1.0 . 4.29 638 608 A 95 ASN H A 95 ASN HD2y 1.0 . 4.58 639 609 A 95 ASN H A 93 SER HG 1.0 . 3.89 640 610 A 95 ASN H A 96 GLY HAx 1.0 . 4.98 641 611 A 7 GLU H A 7 GLU HGx 1.0 . 4.03 642 611 A 7 GLU H A 7 GLU HGy 1.0 . 4.03 643 612 A 7 GLU HBy A 7 GLU H 1.0 . 3.67 644 613 A 7 GLU H A 7 GLU HBx 1.0 . 3.89 645 614 A 72 SER H A 73 PHE H 1.0 . 4.90 646 615 A 73 PHE HD% A 73 PHE H 1.0 . 4.06 647 616 A 117 GLU HA A 73 PHE H 1.0 . 4.04 648 617 A 146 ASP H A 92 LYS H 1.0 . 4.76 649 618 A 92 LYS H A 91 GLU HBy 1.0 . 3.70 650 619 A 92 LYS H A 91 GLU HBx 1.0 . 4.06 651 620 A 92 LYS H A 92 LYS HBy 1.0 . 4.12 652 621 A 92 LYS H A 92 LYS HGy 1.0 . 4.91 653 622 A 92 LYS H A 92 LYS HGx 1.0 . 3.79 654 623 A 145 ILE HD1% A 92 LYS H 1.0 . 5.50 655 624 A 164 ASN H A 164 ASN HD2y 1.0 . 5.17 656 625 A 13 PHE HD% A 164 ASN H 1.0 . 3.93 657 626 A 164 ASN H A 163 ASP HA 1.0 . 3.34 658 627 A 164 ASN H A 12 ASP HA 1.0 . 3.95 659 628 A 164 ASN HBx A 164 ASN H 1.0 . 4.15 660 629 A 12 ASP H A 13 PHE H 1.0 . 3.14 661 630 A 13 PHE HD% A 13 PHE H 1.0 . 4.15 662 631 A 11 ASP HA A 13 PHE H 1.0 . 4.71 663 632 A 13 PHE H A 13 PHE HA 1.0 . 2.89 664 633 A 123 PHE H A 122 SER H 1.0 . 3.50 665 634 A 122 SER H A 122 SER HBx 1.0 . 3.41 666 635 A 95 ASN H A 95 ASN HBx 1.0 . 3.99 667 636 A 95 ASN H A 94 ILE HG1y 1.0 . 4.68 668 637 A 94 ILE HG2% A 95 ASN H 1.0 . 4.69 669 638 A 116 ILE H A 73 PHE H 1.0 . 3.43 670 639 A 72 SER HA A 73 PHE H 1.0 . 2.77 671 640 A 73 PHE H A 72 SER HBx 1.0 . 3.73 672 640 A 72 SER HBy A 73 PHE H 1.0 . 3.73 673 641 A 73 PHE H A 116 ILE HG1x 1.0 . 4.48 674 641 A 73 PHE H A 116 ILE HG1y 1.0 . 4.48 675 642 A 71 ILE HG2% A 73 PHE H 1.0 . 4.04 676 643 A 115 THR HG2% A 73 PHE H 1.0 . 4.02 677 644 A 118 ILE H A 73 PHE H 1.0 . 5.10 678 645 A 116 ILE HG2% A 73 PHE H 1.0 . 4.78 679 646 A 153 ALA H A 152 TYR H 1.0 . 5.41 680 647 A 150 PHE H A 149 HIS H 1.0 . 4.94 681 648 A 150 PHE H A 150 PHE HD% 1.0 . 4.19 682 649 A 150 PHE H A 150 PHE HBy 1.0 . 4.10 683 650 A 149 HIS HBx A 150 PHE H 1.0 . 4.39 684 651 A 154 ASN HBy A 155 ASN H 1.0 . 3.62 685 652 A 110 ASP H A 112 SER H 1.0 . 4.80 686 653 A 112 SER H A 110 ASP HA 1.0 . 4.52 687 654 A 110 ASP HBy A 112 SER H 1.0 . 4.25 688 655 A 160 PHE H A 159 LYS H 1.0 . 4.76 689 656 A 152 TYR H A 151 MET HBy 1.0 . 4.33 690 657 A 152 TYR H A 151 MET HBx 1.0 . 4.62 691 658 A 152 TYR HBx A 152 TYR H 1.0 . 3.92 692 659 A 152 TYR H A 152 TYR HE% 1.0 . 4.94 693 660 A 149 HIS HA A 150 PHE H 1.0 . 3.15 694 661 A 150 PHE H A 150 PHE HBx 1.0 . 3.68 695 662 A 56 THR HG2% A 150 PHE H 1.0 . 4.15 696 663 A 111 SER H A 112 SER H 1.0 . 3.36 697 664 A 110 ASP HBx A 112 SER H 1.0 . 4.18 698 665 A 79 ASP HBy A 159 LYS H 1.0 . 4.79 699 666 A 79 ASP HBx A 159 LYS H 1.0 . 4.69 700 667 A 159 LYS H A 158 GLY HAy 1.0 . 3.17 701 668 A 159 LYS H A 158 GLY HAx 1.0 . 3.20 702 669 A 159 LYS H A 159 LYS HBy 1.0 . 3.75 703 670 A 159 LYS HBx A 159 LYS H 1.0 . 3.80 704 671 A 159 LYS H A 159 LYS HGx 1.0 . 4.79 705 672 A 159 LYS H A 159 LYS HEx 1.0 . 5.30 706 672 A 159 LYS H A 159 LYS HEy 1.0 . 5.30 707 673 A 135 ASP H A 134 GLN H 1.0 . 5.40 708 674 A 107 ILE H A 86 ARG H 1.0 . 5.31 709 675 A 85 ILE HA A 86 ARG H 1.0 . 3.36 710 676 A 86 ARG H A 85 ILE HB 1.0 . 3.10 711 677 A 86 ARG H A 85 ILE HG1y 1.0 . 3.88 712 678 A 152 TYR HA A 86 ARG H 1.0 . 5.10 713 679 A 128 ASP H A 129 TYR H 1.0 . 3.52 714 680 A 128 ASP H A 129 TYR HBx 1.0 . 4.18 715 681 A 27 ALA H A 25 GLU H 1.0 . 4.83 716 682 A 25 GLU H A 24 GLY HAy 1.0 . 3.22 717 683 A 26 GLY H A 25 GLU H 1.0 . 3.58 718 684 A 25 GLU H A 25 GLU HA 1.0 . 2.92 719 685 A 25 GLU H A 24 GLY HAx 1.0 . 3.39 720 686 A 25 GLU H A 25 GLU HGx 1.0 . 3.94 721 687 A 169 GLY H A 168 ILE H 1.0 . 5.50 722 688 A 168 ILE H A 168 ILE HG1x 1.0 . 4.31 723 688 A 168 ILE H A 168 ILE HG1y 1.0 . 4.31 724 689 A 168 ILE H A 168 ILE HD1% 1.0 . 4.71 725 690 A 77 SER HG A 81 SER H 1.0 . 3.76 726 691 A 159 LYS HGy A 159 LYS H 1.0 . 4.48 727 692 A 134 GLN H A 133 GLY H 1.0 . 3.93 728 693 A 134 GLN H A 134 GLN HGx 1.0 . 4.51 729 693 A 134 GLN H A 134 GLN HGy 1.0 . 4.51 730 694 A 85 ILE HG2% A 86 ARG H 1.0 . 4.80 731 695 A 85 ILE HD1% A 86 ARG H 1.0 . 5.06 732 696 A 127 LEU HDy% A 128 ASP H 1.0 . 5.50 733 697 A 126 ARG HA A 128 ASP H 1.0 . 4.63 734 698 A 71 ILE HA A 168 ILE H 1.0 . 4.53 735 699 A 168 ILE H A 168 ILE HB 1.0 . 4.17 736 700 A 167 LEU HDy% A 168 ILE H 1.0 . 4.66 737 701 A 81 SER HBx A 81 SER H 1.0 . 3.29 738 702 A 83 ASN HD2x A 156 LYS HBx 1.0 . 3.99 739 702 A 156 LYS HBy A 83 ASN HD2x 1.0 . 3.99 740 703 A 83 ASN HD2x A 156 LYS HDx 1.0 . 5.41 741 703 A 83 ASN HD2x A 156 LYS HDy 1.0 . 5.41 742 704 A 81 SER HBx A 83 ASN HD2x 1.0 . 5.27 743 705 A 60 LEU H A 62 ASP H 1.0 . 5.50 744 706 A 34 VAL HA A 35 SER H 1.0 . 3.25 745 707 A 35 SER H A 35 SER HBy 1.0 . 3.39 746 708 A 35 SER H A 35 SER HBx 1.0 . 3.14 747 709 A 34 VAL HGy% A 35 SER H 1.0 . 3.72 748 710 A 157 SER H A 156 LYS HGx 1.0 . 4.97 749 710 A 156 LYS HGy A 157 SER H 1.0 . 4.97 750 711 A 157 SER H A 156 LYS HA 1.0 . 3.39 751 712 A 157 SER H A 157 SER HBx 1.0 . 3.53 752 713 A 157 SER H A 156 LYS HBx 1.0 . 2.98 753 713 A 156 LYS HBy A 157 SER H 1.0 . 2.98 754 714 A 157 SER H A 157 SER HBy 1.0 . 3.87 755 715 A 157 SER H A 156 LYS HDx 1.0 . 4.65 756 715 A 156 LYS HDy A 157 SER H 1.0 . 4.65 757 716 A 63 GLY H A 62 ASP H 1.0 . 4.46 758 717 A 62 ASP H A 60 LEU HA 1.0 . 4.10 759 718 A 62 ASP H A 61 PRO HBx 1.0 . 3.94 760 719 A 62 ASP H A 60 LEU HBx 1.0 . 3.26 761 719 A 60 LEU HBy A 62 ASP H 1.0 . 3.26 762 720 A 60 LEU HDy% A 62 ASP H 1.0 . 4.89 763 721 A 62 ASP H A 61 PRO HDx 1.0 . 3.69 764 722 A 35 SER H A 40 ASN HA 1.0 . 5.07 765 723 A 36 GLY H A 35 SER H 1.0 . 4.63 766 724 A 35 SER H A 34 VAL HB 1.0 . 2.70 767 725 A 34 VAL HGx% A 35 SER H 1.0 . 3.85 768 726 A 165 ILE H A 11 ASP H 1.0 . 4.42 769 727 A 11 ASP HBy A 11 ASP H 1.0 . 4.00 770 728 A 10 LEU H A 11 ASP H 1.0 . 3.35 771 729 A 165 ILE HB A 11 ASP H 1.0 . 3.43 772 730 A 11 ASP H A 10 LEU HBy 1.0 . 3.44 773 731 A 10 LEU HG A 11 ASP H 1.0 . 4.58 774 732 A 11 ASP H A 10 LEU HBx 1.0 . 3.72 775 733 A 37 LYS HBy A 164 ASN HD2x 1.0 . 4.71 776 734 A 20 GLY H A 21 SER H 1.0 . 4.87 777 735 A 21 SER H A 20 GLY HAy 1.0 . 3.36 778 736 A 21 SER HBx A 21 SER H 1.0 . 3.34 779 737 A 29 VAL HGy% A 21 SER H 1.0 . 5.50 780 738 A 98 GLY H A 97 VAL HA 1.0 . 2.69 781 739 A 98 GLY H A 97 VAL HGy% 1.0 . 3.70 782 740 A 37 LYS HBx A 164 ASN HD2y 1.0 . 5.20 783 741 A 164 ASN HBy A 164 ASN HD2y 1.0 . 3.68 784 742 A 164 ASN HBx A 164 ASN HD2y 1.0 . 3.84 785 743 A 74 ASP HBx A 164 ASN HD2y 1.0 . 5.07 786 744 A 164 ASN HD2y A 37 LYS HDx 1.0 . 5.10 787 745 A 10 LEU HDx% A 11 ASP H 1.0 . 5.39 788 746 A 94 ILE H A 93 SER H 1.0 . 5.13 789 747 A 164 ASN HD2x A 38 THR HB 1.0 . 5.25 790 748 A 164 ASN HD2x A 37 LYS HDx 1.0 . 5.50 791 749 A 93 SER H A 92 LYS HA 1.0 . 3.12 792 750 A 152 TYR HBx A 154 ASN H 1.0 . 4.95 793 751 A 65 TRP H A 64 ASP H 1.0 . 4.61 794 752 A 64 ASP H A 64 ASP HBy 1.0 . 3.23 795 753 A 64 ASP HBx A 64 ASP H 1.0 . 3.75 796 754 A 74 ASP HBx A 164 ASN HD2x 1.0 . 5.49 797 755 A 103 TRP HZ2 A 138 GLY H 1.0 . 4.63 798 756 A 153 ALA H A 154 ASN H 1.0 . 3.12 799 757 A 155 ASN H A 154 ASN HD2y 1.0 . 5.11 800 757 A 155 ASN H A 154 ASN HD2x 1.0 . 5.11 801 758 A 154 ASN H A 153 ALA HB% 1.0 . 4.07 802 759 A 154 ASN H A 152 TYR HD% 1.0 . 4.39 803 760 A 152 TYR HBy A 154 ASN H 1.0 . 4.48 804 761 A 85 ILE HG2% A 154 ASN HD2y 1.0 . 5.50 805 761 A 85 ILE HG2% A 154 ASN HD2x 1.0 . 5.50 806 762 A 136 MET H A 134 GLN HBx 1.0 . 5.20 807 763 A 136 MET H A 136 MET HBy 1.0 . 3.82 808 764 A 36 GLY H A 40 ASN HA 1.0 . 3.24 809 765 A 36 GLY H A 39 GLY HAx 1.0 . 5.24 810 766 A 65 TRP H A 66 SER H 1.0 . 3.66 811 767 A 64 ASP HA A 66 SER H 1.0 . 4.31 812 768 A 143 ASP HA A 66 SER H 1.0 . 4.39 813 769 A 66 SER H A 66 SER HBy 1.0 . 3.89 814 770 A 66 SER H A 65 TRP HE3 1.0 . 5.27 815 771 A 142 LEU HBy A 66 SER H 1.0 . 5.12 816 772 A 104 VAL H A 123 PHE HD% 1.0 . 4.98 817 773 A 104 VAL H A 103 TRP HE3 1.0 . 5.35 818 774 A 104 VAL H A 125 ARG HA 1.0 . 5.22 819 775 A 104 VAL H A 104 VAL HGx% 1.0 . 3.56 820 776 A 36 GLY H A 37 LYS H 1.0 . 4.73 821 777 A 36 GLY H A 35 SER HA 1.0 . 2.78 822 778 A 36 GLY H A 35 SER HBy 1.0 . 4.08 823 779 A 36 GLY H A 35 SER HBx 1.0 . 4.27 824 780 A 36 GLY H A 41 GLY HAx 1.0 . 4.57 825 781 A 169 GLY H A 168 ILE HB 1.0 . 4.22 826 782 A 169 GLY H A 168 ILE HG2% 1.0 . 4.55 827 783 A 65 TRP HBx A 66 SER H 1.0 . 5.35 828 784 A 142 LEU HBx A 66 SER H 1.0 . 4.94 829 785 A 18 ASN HD2y A 19 TRP HD1 1.0 . 4.91 830 786 A 104 VAL H A 124 ARG H 1.0 . 3.89 831 787 A 104 VAL H A 103 TRP HBx 1.0 . 4.45 832 788 A 104 VAL H A 104 VAL HGy% 1.0 . 4.40 833 789 A 19 TRP HE3 A 20 GLY H 1.0 . 5.31 834 790 A 19 TRP HBx A 20 GLY H 1.0 . 4.67 835 791 A 56 THR HG2% A 20 GLY H 1.0 . 5.50 836 792 A 150 PHE H A 56 THR H 1.0 . 3.65 837 793 A 150 PHE HD% A 56 THR H 1.0 . 5.31 838 794 A 56 THR H A 22 TYR HH 1.0 . 4.71 839 795 A 56 THR H A 55 GLY HAx 1.0 . 3.54 840 796 A 150 PHE HBx A 56 THR H 1.0 . 4.53 841 797 A 56 THR HG2% A 56 THR H 1.0 . 3.67 842 798 A 18 ASN H A 18 ASN HD2y 1.0 . 4.67 843 799 A 18 ASN HD2x A 18 ASN H 1.0 . 5.17 844 800 A 18 ASN HD2x A 58 TYR HE% 1.0 . 3.93 845 801 A 57 VAL H A 20 GLY H 1.0 . 3.81 846 802 A 19 TRP HA A 20 GLY H 1.0 . 3.24 847 803 A 19 TRP HBy A 20 GLY H 1.0 . 4.18 848 804 A 57 VAL HGy% A 20 GLY H 1.0 . 4.05 849 805 A 56 THR HA A 20 GLY H 1.0 . 4.98 850 806 A 57 VAL H A 56 THR H 1.0 . 4.84 851 807 A 150 PHE HBy A 56 THR H 1.0 . 5.01 852 808 A 18 ASN HBx A 18 ASN HD2y 1.0 . 3.42 853 809 A 13 PHE H A 14 GLU H 1.0 . 3.69 854 810 A 14 GLU H A 14 GLU HBy 1.0 . 3.48 855 811 A 14 GLU H A 14 GLU HGx 1.0 . 3.54 856 812 A 14 GLU H A 14 GLU HBx 1.0 . 3.57 857 813 A 6 GLY H A 7 GLU H 1.0 . 4.06 858 814 A 63 GLY H A 64 ASP HBy 1.0 . 4.92 859 815 A 138 GLY H A 139 THR H 1.0 . 3.52 860 816 A 63 GLY H A 64 ASP H 1.0 . 3.60 861 817 A 103 TRP HZ2 A 139 THR H 1.0 . 3.73 862 818 A 63 GLY H A 62 ASP HA 1.0 . 3.09 863 819 A 30 SER HA A 31 THR H 1.0 . 3.08 864 820 A 143 ASP H A 142 LEU HDy% 1.0 . 5.50 865 821 A 143 ASP H A 142 LEU HDx% 1.0 . 5.50 866 822 A 33 ILE HG2% A 40 ASN HD2y 1.0 . 4.69 867 823 A 24 GLY H A 53 TYR H 1.0 . 4.12 868 824 A 53 TYR H A 52 GLY HAy 1.0 . 3.25 869 825 A 53 TYR H A 52 GLY HAx 1.0 . 3.36 870 826 A 27 ALA HB% A 53 TYR H 1.0 . 3.65 871 827 A 54 TRP HD1 A 54 TRP H 1.0 . 4.60 872 828 A 152 TYR HE% A 54 TRP H 1.0 . 4.25 873 829 A 54 TRP H A 53 TYR HA 1.0 . 3.30 874 830 A 152 TYR HBy A 54 TRP H 1.0 . 4.49 875 831 A 54 TRP H A 53 TYR HBx 1.0 . 4.38 876 831 A 54 TRP H A 53 TYR HBy 1.0 . 4.38 877 832 A 6 GLY H A 5 VAL HA 1.0 . 3.50 878 833 A 6 GLY H A 5 VAL HB 1.0 . 4.09 879 834 A 6 GLY H A 5 VAL HGx% 1.0 . 4.38 880 835 A 145 ILE HD1% A 143 ASP H 1.0 . 5.23 881 836 A 143 ASP H A 144 ASN H 1.0 . 3.02 882 837 A 143 ASP H A 142 LEU HBy 1.0 . 4.58 883 838 A 142 LEU HBx A 143 ASP H 1.0 . 4.12 884 839 A 48 GLY H A 157 SER HA 1.0 . 4.01 885 840 A 48 GLY H A 49 THR H 1.0 . 4.91 886 841 A 47 THR HA A 48 GLY H 1.0 . 3.22 887 842 A 48 GLY H A 157 SER HBy 1.0 . 4.71 888 843 A 48 GLY H A 47 THR HG2% 1.0 . 4.16 889 844 A 40 ASN HBy A 40 ASN HD2y 1.0 . 3.98 890 845 A 33 ILE HG2% A 40 ASN HD2x 1.0 . 4.61 891 846 A 40 ASN HA A 40 ASN HD2x 1.0 . 5.24 892 847 A 53 TYR H A 54 TRP H 1.0 . 4.90 893 848 A 23 SER HBx A 53 TYR H 1.0 . 4.88 894 849 A 54 TRP HE1 A 54 TRP H 1.0 . 5.22 895 850 A 111 SER H A 77 SER H 1.0 . 4.94 896 851 A 111 SER H A 110 ASP HA 1.0 . 3.23 897 852 A 111 SER H A 111 SER HBy 1.0 . 3.51 898 853 A 111 SER H A 111 SER HBx 1.0 . 3.48 899 854 A 111 SER H A 77 SER HBx 1.0 . 5.27 900 855 A 111 SER H A 110 ASP HBy 1.0 . 3.07 901 856 A 111 SER H A 110 ASP HBx 1.0 . 3.47 902 857 A 144 ASN HD2y A 92 LYS HEx 1.0 . 5.09 903 857 A 92 LYS HEy A 144 ASN HD2y 1.0 . 5.09 904 858 A 92 LYS H A 144 ASN HD2y 1.0 . 4.87 905 859 A 92 LYS HBy A 144 ASN HD2y 1.0 . 5.15 906 860 A 92 LYS HBx A 144 ASN HD2y 1.0 . 4.95 907 861 A 154 ASN HA A 155 ASN HD2y 1.0 . 5.05 908 862 A 92 LYS HBx A 144 ASN HD2x 1.0 . 4.52 909 863 A 144 ASN HD2x A 92 LYS HEx 1.0 . 5.50 910 863 A 92 LYS HEy A 144 ASN HD2x 1.0 . 5.50 911 864 A 92 LYS HBy A 144 ASN HD2x 1.0 . 5.07 912 865 A 144 ASN HBy A 144 ASN HD2y 1.0 . 3.79 913 866 A 92 LYS HDx A 144 ASN HD2y 1.0 . 5.38 914 867 A 155 ASN HD2y A 155 ASN HA 1.0 . 4.25 915 868 A 155 ASN HA A 155 ASN HD2x 1.0 . 4.89 916 869 A 34 VAL HGx% A 41 GLY H 1.0 . 5.06 917 870 A 34 VAL HGy% A 41 GLY H 1.0 . 4.36 918 871 A 49 THR H A 155 ASN HD2y 1.0 . 4.78 919 872 A 40 ASN H A 41 GLY H 1.0 . 4.67 920 873 A 36 GLY H A 41 GLY H 1.0 . 4.28 921 874 A 34 VAL H A 41 GLY H 1.0 . 3.36 922 875 A 41 GLY H A 40 ASN HA 1.0 . 3.00 923 876 A 40 ASN HBy A 41 GLY H 1.0 . 3.70 924 877 A 40 ASN HBx A 41 GLY H 1.0 . 3.39 925 878 A 33 ILE HG2% A 41 GLY H 1.0 . 4.12 926 879 A 120 PHE H A 121 SER H 1.0 . 3.82 927 880 A 121 SER H A 121 SER HBy 1.0 . 3.90 928 881 A 121 SER H A 120 PHE HBy 1.0 . 4.28 929 882 A 119 PRO HBy A 121 SER H 1.0 . 4.30 930 883 A 121 SER H A 121 SER HBx 1.0 . 3.39 931 884 A 120 PHE HBx A 121 SER H 1.0 . 3.89 932 885 A 121 SER H A 119 PRO HGx 1.0 . 3.85 933 886 A 13 PHE H A 15 GLY H 1.0 . 4.92 934 887 A 13 PHE HA A 15 GLY H 1.0 . 3.86 935 888 A 14 GLU HBy A 15 GLY H 1.0 . 4.58 936 889 A 14 GLU HGx A 15 GLY H 1.0 . 5.17 937 890 A 14 GLU HBx A 15 GLY H 1.0 . 4.57 938 891 A 16 VAL HGy% A 15 GLY H 1.0 . 5.50 939 892 A 60 LEU H A 148 ILE H 1.0 . 4.62 940 893 A 58 TYR H A 148 ILE H 1.0 . 4.13 941 894 A 147 SER HA A 148 ILE H 1.0 . 3.43 942 895 A 148 ILE H A 147 SER HBy 1.0 . 3.89 943 896 A 148 ILE H A 147 SER HBx 1.0 . 3.48 944 897 A 148 ILE H A 148 ILE HG1x 1.0 . 4.67 945 897 A 148 ILE H A 148 ILE HG1y 1.0 . 4.67 946 898 A 148 ILE H A 58 TYR HBy 1.0 . 4.95 947 899 A 148 ILE HG2% A 148 ILE H 1.0 . 3.74 948 900 A 57 VAL HGx% A 148 ILE H 1.0 . 4.21 949 901 A 59 SER HA A 148 ILE H 1.0 . 4.58 950 902 A 40 ASN H A 38 THR H 1.0 . 5.21 951 903 A 37 LYS HGx A 38 THR H 1.0 . 4.94 952 904 A 36 GLY H A 38 THR H 1.0 . 5.16 953 905 A 164 ASN HD2x A 38 THR H 1.0 . 4.58 954 906 A 39 GLY HAy A 38 THR H 1.0 . 5.31 955 907 A 37 LYS HBy A 38 THR H 1.0 . 3.51 956 908 A 37 LYS HBx A 38 THR H 1.0 . 3.99 957 909 A 22 TYR HD% A 23 SER H 1.0 . 4.44 958 910 A 23 SER H A 22 TYR HA 1.0 . 2.79 959 911 A 23 SER HBy A 23 SER H 1.0 . 4.09 960 912 A 23 SER H A 22 TYR HBx 1.0 . 3.31 961 913 A 149 HIS HD2 A 148 ILE H 1.0 . 4.60 962 914 A 95 ASN HD2y A 95 ASN HA 1.0 . 4.92 963 915 A 37 LYS H A 38 THR H 1.0 . 3.10 964 916 A 38 THR HB A 38 THR H 1.0 . 3.82 965 917 A 36 GLY HAx A 38 THR H 1.0 . 4.27 966 918 A 163 ASP HBx A 38 THR H 1.0 . 5.35 967 919 A 22 TYR H A 23 SER H 1.0 . 4.66 968 920 A 95 ASN HD2y A 133 GLY HAy 1.0 . 5.18 969 921 A 95 ASN HD2y A 95 ASN HBx 1.0 . 3.93 970 922 A 97 VAL HB A 95 ASN HD2y 1.0 . 5.36 971 923 A 133 GLY HAx A 134 GLN HE2y 1.0 . 5.24 972 924 A 133 GLY HAx A 134 GLN HE2x 1.0 . 5.50 973 925 A 133 GLY HAy A 95 ASN HD2x 1.0 . 5.23 974 926 A 100 GLY H A 99 ASP HA 1.0 . 3.38 975 927 A 100 GLY H A 92 LYS HA 1.0 . 4.78 976 928 A 100 GLY H A 99 ASP HBy 1.0 . 4.02 977 929 A 100 GLY H A 99 ASP HBx 1.0 . 3.58 978 930 A 95 ASN HD2y A 95 ASN HBy 1.0 . 4.00 979 931 A 134 GLN HE2x A 134 GLN HBy 1.0 . 5.03 980 932 A 56 THR H A 55 GLY H 1.0 . 5.45 981 933 A 22 TYR HE% A 55 GLY H 1.0 . 4.67 982 934 A 55 GLY H A 54 TRP HA 1.0 . 3.19 983 935 A 56 THR HB A 55 GLY H 1.0 . 5.36 984 936 A 55 GLY H A 54 TRP HBx 1.0 . 4.20 985 937 A 29 VAL HB A 55 GLY H 1.0 . 4.73 986 938 A 29 VAL HGy% A 55 GLY H 1.0 . 3.90 987 939 A 22 TYR HD% A 55 GLY H 1.0 . 4.60 988 940 A 21 SER HA A 55 GLY H 1.0 . 5.25 989 941 A 55 GLY H A 54 TRP HBy 1.0 . 3.89 990 942 A 29 VAL HGx% A 55 GLY H 1.0 . 5.15 991 943 A 81 SER H A 80 GLY H 1.0 . 3.19 992 944 A 77 SER HG A 80 GLY H 1.0 . 4.36 993 945 A 79 ASP HBy A 80 GLY H 1.0 . 4.96 994 946 A 79 ASP HBx A 80 GLY H 1.0 . 4.61 995 947 A 146 ASP H A 147 SER H 1.0 . 3.17 996 948 A 90 ALA H A 147 SER H 1.0 . 3.87 997 949 A 145 ILE HA A 147 SER H 1.0 . 4.41 998 950 A 146 ASP HBy A 147 SER H 1.0 . 3.40 999 951 A 147 SER H A 146 ASP HBx 1.0 . 4.14 1000 952 A 90 ALA HB% A 147 SER H 1.0 . 3.92 1001 953 A 89 ILE HG2% A 147 SER H 1.0 . 5.24 1002 954 A 145 ILE HG2% A 147 SER H 1.0 . 3.89 1003 955 A 148 ILE HA A 147 SER H 1.0 . 5.31 1004 956 A 46 TYR H A 158 GLY H 1.0 . 3.65 1005 957 A 159 LYS H A 158 GLY H 1.0 . 4.43 1006 958 A 157 SER HA A 158 GLY H 1.0 . 3.26 1007 959 A 47 THR HA A 158 GLY H 1.0 . 4.36 1008 960 A 157 SER HBy A 158 GLY H 1.0 . 3.13 1009 961 A 159 LYS HGx A 158 GLY H 1.0 . 5.34 1010 962 A 158 GLY H A 46 TYR HBx 1.0 . 5.21 1011 962 A 158 GLY H A 46 TYR HBy 1.0 . 5.21 1012 963 A 130 GLN HE2x A 102 HIS HBy 1.0 . 5.31 1013 964 A 130 GLN HE2x A 125 ARG HGx 1.0 . 5.50 1014 965 A 157 SER H A 158 GLY H 1.0 . 4.63 1015 966 A 159 LYS HA A 158 GLY H 1.0 . 5.25 1016 967 A 129 TYR HBx A 130 GLN HE2y 1.0 . 5.50 1017 968 A 130 GLN HE2y A 127 LEU HDx% 1.0 . 5.50 1018 969 A 130 GLN HE2y A 126 ARG HGy 1.0 . 5.50 1019 970 A 130 GLN HE2y A 126 ARG HBx 1.0 . 5.48 1020 971 A 130 GLN HE2x A 125 ARG HGy 1.0 . 5.47 1021 972 A 130 GLN HE2x A 126 ARG HBx 1.0 . 5.33 1022 973 A 50 THR H A 52 GLY H 1.0 . 4.66 1023 974 A 51 ASP H A 52 GLY H 1.0 . 3.11 1024 975 A 53 TYR H A 52 GLY H 1.0 . 4.71 1025 976 A 51 ASP HBx A 52 GLY H 1.0 . 4.88 1026 977 A 49 THR HG2% A 52 GLY H 1.0 . 4.65 1027 978 A 49 THR H A 52 GLY H 1.0 . 4.62 1028 979 A 52 GLY H A 49 THR HB 1.0 . 4.74 1029 980 A 27 ALA HB% A 52 GLY H 1.0 . 4.91 1030 981 A 26 GLY H A 27 ALA HB% 1.0 . 5.33 1031 982 A 26 GLY H A 49 THR HG2% 1.0 . 5.46 1032 983 A 26 GLY H A 25 GLU HA 1.0 . 3.42 1033 984 A 26 GLY H A 25 GLU HBy 1.0 . 4.81 1034 985 A 54 TRP HD1 A 49 THR H 1.0 . 5.13 1035 986 A 49 THR H A 48 GLY HAy 1.0 . 3.12 1036 987 A 49 THR H A 48 GLY HAx 1.0 . 3.30 1037 988 A 49 THR H A 155 ASN HBy 1.0 . 4.57 1038 989 A 27 ALA HB% A 49 THR H 1.0 . 4.07 1039 990 A 49 THR HG2% A 49 THR H 1.0 . 4.17 1040 991 A 94 ILE H A 96 GLY H 1.0 . 4.98 1041 992 A 95 ASN H A 96 GLY H 1.0 . 3.15 1042 993 A 96 GLY H A 93 SER HG 1.0 . 4.22 1043 994 A 96 GLY H A 94 ILE HA 1.0 . 4.57 1044 995 A 93 SER HBy A 96 GLY H 1.0 . 4.86 1045 996 A 96 GLY H A 93 SER HBx 1.0 . 3.83 1046 997 A 96 GLY H A 97 VAL HB 1.0 . 5.07 1047 998 A 53 TYR H A 49 THR H 1.0 . 5.07 1048 999 A 133 GLY H A 134 GLN HBy 1.0 . 4.91 1049 1000 A 133 GLY H A 132 PRO HGx 1.0 . 3.94 1050 1001 A 133 GLY H A 132 PRO HBx 1.0 . 3.66 1051 1002 A 24 GLY H A 54 TRP HA 1.0 . 4.54 1052 1003 A 23 SER HBx A 24 GLY H 1.0 . 3.57 1053 1004 A 27 ALA HB% A 24 GLY H 1.0 . 4.03 1054 1005 A 24 GLY H A 23 SER H 1.0 . 5.20 1055 1006 A 24 GLY H A 54 TRP HBx 1.0 . 5.34 1056 1007 A 25 GLU H A 24 GLY H 1.0 . 4.82 1057 1008 A 34 VAL HGy% A 41 GLY HAx 1.0 . 3.84 1058 1009 A 118 ILE HG2% A 123 PHE HE% 1.0 . 4.04 1059 1010 A 33 ILE HG2% A 34 VAL H 1.0 . 3.57 1060 1011 A 116 ILE HG2% A 116 ILE HA 1.0 . 3.45 1061 1012 A 116 ILE HG2% A 116 ILE HG1x 1.0 . 2.73 1062 1012 A 116 ILE HG2% A 116 ILE HG1y 1.0 . 2.73 1063 1013 A 145 ILE HD1% A 142 LEU HA 1.0 . 3.41 1064 1014 A 31 THR HB A 31 THR H 1.0 . 3.38 1065 1015 A 108 THR HB A 109 PRO HDx 1.0 . 3.27 1066 1016 A 51 ASP H A 50 THR HA 1.0 . 3.52 1067 1017 A 50 THR HG2% A 50 THR HA 1.0 . 3.46 1068 1018 A 29 VAL HGy% A 21 SER HBy 1.0 . 3.67 1069 1019 A 113 TRP H A 112 SER HBx 1.0 . 3.45 1070 1020 A 93 SER HBy A 93 SER H 1.0 . 3.60 1071 1021 A 93 SER HBx A 93 SER H 1.0 . 3.18 1072 1022 A 115 THR HA A 115 THR HG2% 1.0 . 3.70 1073 1023 A 66 SER HA A 142 LEU HBy 1.0 . 3.75 1074 1024 A 59 SER HBx A 59 SER H 1.0 . 3.22 1075 1025 A 16 VAL HA A 16 VAL HGy% 1.0 . 3.17 1076 1026 A 75 ILE HG1y A 75 ILE HA 1.0 . 3.55 1077 1027 A 47 THR HA A 47 THR HG2% 1.0 . 3.47 1078 1028 A 145 ILE HA A 91 GLU HA 1.0 . 3.84 1079 1029 A 145 ILE HA A 145 ILE HD1% 1.0 . 4.17 1080 1030 A 104 VAL HA A 104 VAL HGy% 1.0 . 3.97 1081 1031 A 108 THR HG2% A 108 THR HA 1.0 . 3.31 1082 1032 A 38 THR HA A 38 THR HG2% 1.0 . 3.38 1083 1033 A 161 VAL HGx% A 161 VAL HA 1.0 . 3.44 1084 1034 A 31 THR HA A 31 THR HG2% 1.0 . 3.64 1085 1035 A 149 HIS HA A 57 VAL HA 1.0 . 3.90 1086 1036 A 57 VAL HA A 57 VAL HGx% 1.0 . 3.90 1087 1037 A 162 VAL HA A 162 VAL HGx% 1.0 . 3.72 1088 1038 A 103 TRP HA A 125 ARG HA 1.0 . 4.19 1089 1039 A 30 SER HA A 30 SER HBx 1.0 . 3.01 1090 1039 A 30 SER HBy A 30 SER HA 1.0 . 3.01 1091 1040 A 22 TYR HA A 22 TYR HBy 1.0 . 2.92 1092 1040 A 22 TYR HA A 22 TYR HBx 1.0 . 2.92 1093 1041 A 142 LEU HG A 142 LEU HA 1.0 . 3.52 1094 1042 A 103 TRP H A 102 HIS HA 1.0 . 3.06 1095 1043 A 115 THR HA A 74 ASP HA 1.0 . 3.34 1096 1044 A 115 THR HG2% A 74 ASP HA 1.0 . 4.51 1097 1045 A 167 LEU HA A 168 ILE H 1.0 . 2.99 1098 1046 A 71 ILE HA A 167 LEU HA 1.0 . 2.60 1099 1047 A 65 TRP H A 64 ASP HA 1.0 . 3.21 1100 1048 A 49 THR HG2% A 27 ALA HA 1.0 . 3.76 1101 1049 A 146 ASP H A 146 ASP HBx 1.0 . 4.21 1102 1050 A 26 GLY HAy A 49 THR HG2% 1.0 . 3.99 1103 1051 A 75 ILE HB A 75 ILE HD1% 1.0 . 3.61 1104 1052 A 156 LYS HA A 156 LYS HEx 1.0 . 4.00 1105 1052 A 156 LYS HA A 156 LYS HEy 1.0 . 4.00 1106 1053 A 78 VAL HGx% A 160 PHE HBx 1.0 . 3.94 1107 1053 A 160 PHE HBy A 78 VAL HGx% 1.0 . 3.94 1108 1054 A 107 ILE HB A 108 THR H 1.0 . 3.52 1109 1055 A 89 ILE H A 89 ILE HB 1.0 . 3.76 1110 1056 A 144 ASN HBx A 144 ASN HD2y 1.0 . 3.70 1111 1057 A 123 PHE HE% A 118 ILE HB 1.0 . 4.32 1112 1058 A 166 LYS HBx A 167 LEU H 1.0 . 4.07 1113 1059 A 162 VAL H A 162 VAL HB 1.0 . 3.89 1114 1060 A 116 ILE HB A 73 PHE H 1.0 . 4.43 1115 1061 A 134 GLN HBx A 134 GLN HGx 1.0 . 2.40 1116 1061 A 134 GLN HBx A 134 GLN HGy 1.0 . 2.40 1117 1062 A 33 ILE HB A 33 ILE HG1y 1.0 . 2.59 1118 1063 A 77 SER H A 76 LYS HBy 1.0 . 4.43 1119 1064 A 76 LYS HBy A 76 LYS HGy 1.0 . 2.86 1120 1065 A 37 LYS HBy A 164 ASN HD2y 1.0 . 4.10 1121 1066 A 103 TRP HBx A 103 TRP HD1 1.0 . 3.81 1122 1067 A 88 MET HA A 88 MET HGx 1.0 . 4.20 1123 1067 A 88 MET HGy A 88 MET HA 1.0 . 4.20 1124 1068 A 156 LYS HBx A 156 LYS HDx 1.0 . 2.54 1125 1068 A 156 LYS HDy A 156 LYS HBx 1.0 . 2.54 1126 1068 A 156 LYS HBy A 156 LYS HDy 1.0 . 2.54 1127 1068 A 156 LYS HBy A 156 LYS HDx 1.0 . 2.54 1128 1069 A 126 ARG HGx A 126 ARG HBx 1.0 . 2.45 1129 1070 A 25 GLU HGx A 25 GLU HBx 1.0 . 2.72 1130 1071 A 33 ILE H A 33 ILE HG1y 1.0 . 4.16 1131 1072 A 119 PRO HBx A 70 LYS HGx 1.0 . 3.36 1132 1072 A 70 LYS HGy A 119 PRO HBx 1.0 . 3.36 1133 1073 A 171 LEU HDy% A 171 LEU HBx 1.0 . 2.88 1134 1073 A 171 LEU HBy A 171 LEU HDy% 1.0 . 2.88 1135 1074 A 37 LYS HGx A 37 LYS HA 1.0 . 4.14 1136 1075 A 43 GLU HBx A 34 VAL HGx% 1.0 . 3.37 1137 1076 A 76 LYS HGx A 76 LYS HBx 1.0 . 3.01 1138 1077 A 140 LEU HA A 140 LEU HG 1.0 . 3.71 1139 1078 A 142 LEU HDy% A 140 LEU HG 1.0 . 4.54 1140 1079 A 102 HIS HE1 A 129 TYR HE% 1.0 . 3.36 1141 1080 A 57 VAL HB A 149 HIS HE1 1.0 . 3.88 1142 1081 A 57 VAL HGy% A 149 HIS HE1 1.0 . 4.20 1143 1082 A 57 VAL HGx% A 149 HIS HE1 1.0 . 3.29 1144 1083 A 21 SER HA A 22 TYR HD% 1.0 . 4.03 1145 1084 A 22 TYR HD% A 22 TYR HA 1.0 . 4.06 1146 1085 A 57 VAL HGy% A 22 TYR HD% 1.0 . 3.30 1147 1086 A 105 TYR HD% A 122 SER HBy 1.0 . 4.43 1148 1087 A 44 VAL HGy% A 46 TYR HD% 1.0 . 3.68 1149 1088 A 46 TYR HD% A 160 PHE HD% 1.0 . 4.74 1150 1089 A 105 TYR HA A 105 TYR HD% 1.0 . 3.38 1151 1090 A 118 ILE HG1x A 105 TYR HD% 1.0 . 4.75 1152 1091 A 118 ILE HG2% A 105 TYR HD% 1.0 . 3.59 1153 1092 A 106 SER H A 105 TYR HD% 1.0 . 4.11 1154 1093 A 46 TYR HD% A 54 TRP HE3 1.0 . 4.65 1155 1094 A 105 TYR HD% A 123 PHE HZ 1.0 . 4.47 1156 1095 A 118 ILE HD1% A 105 TYR HD% 1.0 . 3.41 1157 1096 A 107 ILE HG2% A 105 TYR HD% 1.0 . 3.30 1158 1097 A 129 TYR HD% A 129 TYR HA 1.0 . 3.61 1159 1098 A 129 TYR HD% A 130 GLN HA 1.0 . 4.42 1160 1099 A 129 TYR HD% A 126 ARG HGx 1.0 . 4.62 1161 1100 A 118 ILE HD1% A 87 PHE HD% 1.0 . 4.09 1162 1101 A 107 ILE HD1% A 87 PHE HD% 1.0 . 4.22 1163 1102 A 129 TYR HD% A 102 HIS HE1 1.0 . 4.09 1164 1103 A 107 ILE HG1y A 87 PHE HD% 1.0 . 4.60 1165 1104 A 129 TYR HD% A 102 HIS HD1 1.0 . 4.55 1166 1105 A 73 PHE HD% A 75 ILE HD1% 1.0 . 4.77 1167 1106 A 73 PHE HD% A 75 ILE HB 1.0 . 3.93 1168 1107 A 73 PHE HD% A 71 ILE HG2% 1.0 . 3.86 1169 1108 A 73 PHE HD% A 75 ILE HG2% 1.0 . 4.08 1170 1109 A 88 MET H A 87 PHE HD% 1.0 . 4.21 1171 1110 A 85 ILE HG1y A 87 PHE HD% 1.0 . 4.06 1172 1111 A 123 PHE HD% A 120 PHE HA 1.0 . 4.32 1173 1112 A 123 PHE H A 123 PHE HE% 1.0 . 4.75 1174 1113 A 120 PHE HA A 123 PHE HE% 1.0 . 4.76 1175 1114 A 54 TRP H A 53 TYR HD% 1.0 . 4.73 1176 1115 A 120 PHE HD% A 123 PHE HE% 1.0 . 4.50 1177 1116 A 58 TYR HD% A 148 ILE HD1% 1.0 . 4.49 1178 1117 A 58 TYR HD% A 60 LEU HDx% 1.0 . 4.14 1179 1118 A 58 TYR HD% A 60 LEU HDy% 1.0 . 3.76 1180 1119 A 120 PHE HD% A 120 PHE HA 1.0 . 3.84 1181 1120 A 18 ASN HD2x A 58 TYR HD% 1.0 . 4.14 1182 1121 A 58 TYR HD% A 19 TRP HA 1.0 . 4.55 1183 1122 A 58 TYR HD% A 58 TYR HA 1.0 . 3.78 1184 1123 A 58 TYR HD% A 60 LEU HBx 1.0 . 4.14 1185 1123 A 58 TYR HD% A 60 LEU HBy 1.0 . 4.14 1186 1124 A 58 TYR HD% A 148 ILE HG1x 1.0 . 4.71 1187 1124 A 58 TYR HD% A 148 ILE HG1y 1.0 . 4.71 1188 1125 A 71 ILE HG2% A 73 PHE HE% 1.0 . 3.90 1189 1126 A 75 ILE HG2% A 73 PHE HE% 1.0 . 4.33 1190 1127 A 85 ILE HG1y A 87 PHE HE% 1.0 . 4.11 1191 1128 A 116 ILE HG2% A 73 PHE HE% 1.0 . 3.89 1192 1129 A 87 PHE HD% A 87 PHE HZ 1.0 . 4.00 1193 1130 A 118 ILE HD1% A 87 PHE HZ 1.0 . 4.40 1194 1131 A 107 ILE HD1% A 87 PHE HZ 1.0 . 4.11 1195 1132 A 113 TRP HD1 A 112 SER HA 1.0 . 4.54 1196 1133 A 113 TRP HD1 A 76 LYS HEy 1.0 . 4.72 1197 1134 A 113 TRP HBy A 113 TRP HD1 1.0 . 3.75 1198 1135 A 113 TRP HD1 A 113 TRP HBx 1.0 . 3.63 1199 1136 A 113 TRP HD1 A 37 LYS HEx 1.0 . 4.25 1200 1136 A 113 TRP HD1 A 37 LYS HEy 1.0 . 4.25 1201 1137 A 13 PHE HE% A 19 TRP HD1 1.0 . 3.79 1202 1138 A 19 TRP H A 19 TRP HD1 1.0 . 3.47 1203 1139 A 17 LEU HDy% A 19 TRP HD1 1.0 . 3.52 1204 1140 A 103 TRP HD1 A 91 GLU HGx 1.0 . 4.50 1205 1140 A 91 GLU HGy A 103 TRP HD1 1.0 . 4.50 1206 1141 A 103 TRP H A 103 TRP HD1 1.0 . 4.09 1207 1142 A 19 TRP HD1 A 18 ASN HA 1.0 . 4.75 1208 1143 A 17 LEU HA A 19 TRP HD1 1.0 . 4.20 1209 1144 A 18 ASN H A 19 TRP HD1 1.0 . 3.49 1210 1145 A 58 TYR HD% A 19 TRP HD1 1.0 . 4.75 1211 1146 A 17 LEU HG A 19 TRP HD1 1.0 . 4.19 1212 1147 A 19 TRP HA A 19 TRP HD1 1.0 . 4.59 1213 1148 A 91 GLU HBy A 103 TRP HD1 1.0 . 4.71 1214 1149 A 54 TRP HD1 A 48 GLY HAy 1.0 . 4.18 1215 1150 A 152 TYR HBy A 54 TRP HD1 1.0 . 4.74 1216 1151 A 27 ALA HB% A 54 TRP HD1 1.0 . 3.38 1217 1152 A 54 TRP HD1 A 48 GLY HAx 1.0 . 4.55 1218 1153 A 139 THR HA A 103 TRP HH2 1.0 . 4.22 1219 1154 A 148 ILE HD1% A 19 TRP HZ3 1.0 . 3.95 1220 1155 A 19 TRP HZ3 A 148 ILE HG1x 1.0 . 4.78 1221 1155 A 148 ILE HG1y A 19 TRP HZ3 1.0 . 4.78 1222 1156 A 142 LEU HBx A 65 TRP HE3 1.0 . 3.74 1223 1157 A 142 LEU HDy% A 65 TRP HE3 1.0 . 4.27 1224 1158 A 142 LEU HDx% A 65 TRP HE3 1.0 . 4.52 1225 1159 A 19 TRP HE3 A 56 THR HG2% 1.0 . 4.57 1226 1160 A 65 TRP HD1 A 167 LEU HDy% 1.0 . 4.55 1227 1161 A 65 TRP HD1 A 167 LEU HDx% 1.0 . 4.04 1228 1162 A 65 TRP HD1 A 64 ASP H 1.0 . 4.40 1229 1163 A 65 TRP HD1 A 63 GLY HAy 1.0 . 4.29 1230 1164 A 89 ILE HD1% A 65 TRP HZ3 1.0 . 3.76 1231 1165 A 145 ILE HG2% A 65 TRP HZ3 1.0 . 4.61 1232 1166 A 152 TYR HE% A 53 TYR HBx 1.0 . 4.00 1233 1166 A 152 TYR HE% A 53 TYR HBy 1.0 . 4.00 1234 1167 A 103 TRP HE3 A 124 ARG H 1.0 . 4.17 1235 1168 A 140 LEU HBy A 103 TRP HE3 1.0 . 4.58 1236 1169 A 103 TRP HE3 A 103 TRP HBx 1.0 . 3.82 1237 1170 A 118 ILE HG1y A 105 TYR HE% 1.0 . 4.33 1238 1171 A 118 ILE HD1% A 105 TYR HE% 1.0 . 3.87 1239 1172 A 22 TYR HBx A 53 TYR HE% 1.0 . 4.66 1240 1173 A 122 SER HBy A 105 TYR HE% 1.0 . 3.72 1241 1174 A 122 SER HBx A 105 TYR HE% 1.0 . 4.26 1242 1175 A 118 ILE HG2% A 105 TYR HE% 1.0 . 3.82 1243 1176 A 105 TYR HA A 105 TYR HE% 1.0 . 4.59 1244 1177 A 107 ILE HG2% A 105 TYR HE% 1.0 . 3.43 1245 1178 A 129 TYR HE% A 130 GLN HA 1.0 . 4.37 1246 1179 A 58 TYR HE% A 61 PRO HDy 1.0 . 3.65 1247 1180 A 129 TYR HE% A 102 HIS HBx 1.0 . 4.61 1248 1181 A 126 ARG HGy A 129 TYR HE% 1.0 . 4.61 1249 1182 A 57 VAL HGy% A 22 TYR HE% 1.0 . 3.43 1250 1183 A 60 LEU HA A 58 TYR HE% 1.0 . 3.66 1251 1184 A 61 PRO HDx A 58 TYR HE% 1.0 . 4.21 1252 1185 A 60 LEU HDx% A 58 TYR HE% 1.0 . 4.17 1253 1186 A 60 LEU HDy% A 58 TYR HE% 1.0 . 3.40 1254 1187 A 18 ASN HD2y A 58 TYR HE% 1.0 . 4.51 1255 1188 A 22 TYR HE% A 56 THR H 1.0 . 4.50 1256 1189 A 22 TYR HE% A 57 VAL HB 1.0 . 3.38 1257 1190 A 57 VAL HGx% A 22 TYR HE% 1.0 . 3.87 1258 1191 A 148 ILE HD1% A 58 TYR HE% 1.0 . 4.24 1259 1192 A 58 TYR HE% A 60 LEU HBx 1.0 . 3.75 1260 1192 A 60 LEU HBy A 58 TYR HE% 1.0 . 3.75 1261 1193 A 19 TRP HE1 A 58 TYR HE% 1.0 . 3.91 1262 1194 A 11 ASP HBy A 58 TYR HE% 1.0 . 3.74 1263 1195 A 59 SER H A 58 TYR HE% 1.0 . 4.63 1264 1196 A 60 LEU HG A 58 TYR HE% 1.0 . 4.22 1265 1197 A 102 HIS HD2 A 102 HIS HA 1.0 . 4.04 1266 1198 A 102 HIS HD2 A 90 ALA HB% 1.0 . 3.57 1267 1199 A 22 TYR HE% A 55 GLY HAx 1.0 . 4.44 1268 1200 A 148 ILE HA A 149 HIS HD2 1.0 . 3.82 1269 1201 A 149 HIS HD2 A 89 ILE HA 1.0 . 4.75 1270 1202 A 149 HIS HD2 A 88 MET HGx 1.0 . 4.48 1271 1202 A 88 MET HGy A 149 HIS HD2 1.0 . 4.48 1272 1203 A 149 HIS HD2 A 90 ALA HB% 1.0 . 4.44 1273 1204 A 152 TYR HA A 54 TRP HZ2 1.0 . 3.96 1274 1205 A 60 LEU HDy% A 65 TRP HZ2 1.0 . 3.36 1275 1206 A 145 ILE HG2% A 65 TRP HZ2 1.0 . 4.23 1276 1207 A 103 TRP HZ2 A 125 ARG HDx 1.0 . 4.28 1277 1207 A 103 TRP HZ2 A 125 ARG HDy 1.0 . 4.28 1278 1208 A 139 THR HG2% A 103 TRP HZ2 1.0 . 4.57 1279 1209 A 160 PHE HD% A 46 TYR HE% 1.0 . 4.27 1280 1210 A 60 LEU HDx% A 65 TRP HZ2 1.0 . 3.52 1281 1211 A 140 LEU HA A 103 TRP HZ2 1.0 . 4.31 1282 1212 A 140 LEU HBy A 103 TRP HZ2 1.0 . 4.58 1283 1213 A 54 TRP HE3 A 46 TYR HE% 1.0 . 4.24 1284 1214 A 65 TRP HZ2 A 60 LEU HBx 1.0 . 4.15 1285 1214 A 60 LEU HBy A 65 TRP HZ2 1.0 . 4.15 1286 1215 A 113 TRP HZ2 A 36 GLY HAy 1.0 . 3.76 1287 1216 A 113 TRP HZ2 A 36 GLY HAx 1.0 . 4.10 1288 1217 A 58 TYR HD% A 19 TRP HZ2 1.0 . 4.72 1289 1218 A 113 TRP HZ2 A 161 VAL HB 1.0 . 4.56 1290 1219 A 113 TRP HZ2 A 76 LYS HEy 1.0 . 4.17 1291 1220 A 165 ILE HD1% A 19 TRP HZ2 1.0 . 3.41 1292 1221 A 148 ILE HD1% A 19 TRP HZ2 1.0 . 4.55 1293 1222 A 121 SER H A 121 SER HG 1.0 . 1.94 1294 1223 A 120 PHE H A 121 SER H 1.0 . 2.69 1295 1224 A 122 SER H A 120 PHE O 1.0 . 3.03 1296 1225 A 123 PHE H A 122 SER H 1.0 . 2.38 1297 1226 A 123 PHE H A 120 PHE O 1.0 . 2.34 1298 1227 A 122 SER HBx A 119 PRO HDx 1.0 . 2.37 1299 1228 A 120 PHE HA A 123 PHE H 1.0 . 3.50 1300 1229 A 119 PRO HBx A 121 SER HG 1.0 . 2.34 1301 1230 A 169 GLY H A 7 GLU HA 1.0 . 3.00 1302 1231 A 7 GLU HA A 168 ILE HA 1.0 . 2.50 1303 1232 A 8 LYS H A 168 ILE HA 1.0 . 4.00 1304 1233 A 8 LYS H A 167 LEU H 1.0 . 3.00 1305 1234 A 9 MET HA A 167 LEU H 1.0 . 3.70 1306 1235 A 166 LYS HA A 9 MET HA 1.0 . 2.70 1307 1236 A 10 LEU H A 166 LYS HA 1.0 . 2.20 1308 1237 A 10 LEU H A 165 ILE H 1.0 . 4.00 1309 1238 A 58 TYR HA A 20 GLY H 1.0 . 3.80 1310 1239 A 57 VAL H A 20 GLY H 1.0 . 2.90 1311 1240 A 57 VAL H A 21 SER HA 1.0 . 3.60 1312 1241 A 21 SER HA A 56 THR HA 1.0 . 2.30 1313 1242 A 56 THR HA A 22 TYR H 1.0 . 3.50 1314 1243 A 22 TYR H A 55 GLY H 1.0 . 3.00 1315 1244 A 55 GLY H A 23 SER HA 1.0 . 3.90 1316 1245 A 54 TRP HA A 23 SER HA 1.0 . 2.30 1317 1246 A 24 GLY H A 54 TRP HA 1.0 . 3.90 1318 1247 A 24 GLY H A 53 TYR H 1.0 . 2.80 1319 1248 A 47 THR H A 28 LYS H 1.0 . 2.90 1320 1249 A 47 THR H A 29 VAL HA 1.0 . 3.70 1321 1250 A 29 VAL HA A 46 TYR HA 1.0 . 2.40 1322 1251 A 30 SER H A 46 TYR HA 1.0 . 3.70 1323 1252 A 45 SER H A 30 SER H 1.0 . 3.00 1324 1253 A 31 THR HA A 45 SER H 1.0 . 3.40 1325 1254 A 31 THR HA A 44 VAL HA 1.0 . 2.70 1326 1255 A 44 VAL HA A 32 LYS H 1.0 . 4.10 1327 1256 A 43 GLU H A 32 LYS H 1.0 . 3.10 1328 1257 A 43 GLU H A 33 ILE HA 1.0 . 3.50 1329 1258 A 42 MET HA A 33 ILE HA 1.0 . 2.60 1330 1259 A 42 MET HA A 34 VAL H 1.0 . 3.10 1331 1260 A 34 VAL H A 41 GLY H 1.0 . 2.90 1332 1261 A 168 ILE H A 70 LYS H 1.0 . 2.90 1333 1262 A 71 ILE HA A 168 ILE H 1.0 . 3.21 1334 1263 A 71 ILE HA A 167 LEU HA 1.0 . 2.51 1335 1264 A 72 SER H A 167 LEU HA 1.0 . 3.60 1336 1265 A 166 LYS H A 72 SER H 1.0 . 2.80 1337 1266 A 166 LYS H A 73 PHE HA 1.0 . 3.90 1338 1267 A 165 ILE HA A 73 PHE HA 1.0 . 2.80 1339 1268 A 165 ILE HA A 74 ASP H 1.0 . 4.40 1340 1269 A 74 ASP H A 163 ASP H 1.0 . 3.00 1341 1270 A 75 ILE HA A 163 ASP H 1.0 . 3.91 1342 1271 A 75 ILE HA A 162 VAL HA 1.0 . 2.60 1343 1272 A 76 LYS H A 162 VAL HA 1.0 . 4.00 1344 1273 A 76 LYS H A 161 VAL H 1.0 . 2.70 1345 1274 A 161 VAL H A 77 SER HA 1.0 . 3.80 1346 1275 A 160 PHE HA A 77 SER HA 1.0 . 2.40 1347 1276 A 160 PHE HA A 78 VAL H 1.0 . 2.80 1348 1277 A 85 ILE H A 107 ILE H 1.0 . 3.20 1349 1278 A 86 ARG HA A 107 ILE H 1.0 . 3.00 1350 1279 A 86 ARG HA A 106 SER HA 1.0 . 2.30 1351 1280 A 87 PHE H A 106 SER HA 1.0 . 3.50 1352 1281 A 87 PHE H A 105 TYR H 1.0 . 3.15 1353 1282 A 88 MET HA A 105 TYR H 1.0 . 3.70 1354 1283 A 88 MET HA A 104 VAL HA 1.0 . 2.50 1355 1284 A 89 ILE H A 104 VAL HA 1.0 . 3.60 1356 1285 A 103 TRP H A 89 ILE H 1.0 . 3.00 1357 1286 A 103 TRP H A 90 ALA HA 1.0 . 3.40 1358 1287 A 102 HIS HA A 90 ALA HA 1.0 . 2.50 1359 1288 A 91 GLU H A 102 HIS HA 1.0 . 3.70 1360 1289 A 75 ILE H A 114 LYS H 1.0 . 2.70 1361 1290 A 115 THR HA A 75 ILE H 1.0 . 3.80 1362 1291 A 115 THR HA A 74 ASP HA 1.0 . 2.40 1363 1292 A 116 ILE H A 74 ASP HA 1.0 . 3.30 1364 1293 A 116 ILE H A 73 PHE H 1.0 . 3.00 1365 1294 A 117 GLU HA A 73 PHE H 1.0 . 3.71 1366 1295 A 72 SER HA A 117 GLU HA 1.0 . 2.30 1367 1296 A 118 ILE H A 72 SER HA 1.0 . 3.30 1368 1297 A 71 ILE H A 118 ILE H 1.0 . 3.30 1369 1298 A 146 ASP H A 91 GLU HA 1.0 . 2.60 1370 1299 A 90 ALA H A 147 SER H 1.0 . 3.02 1371 1300 A 90 ALA H A 148 ILE HA 1.0 . 3.50 1372 1301 A 148 ILE HA A 89 ILE HA 1.0 . 2.60 1373 1302 A 149 HIS H A 89 ILE HA 1.0 . 3.80 1374 1303 A 88 MET H A 149 HIS H 1.0 . 2.71 1375 1304 A 88 MET H A 150 PHE HA 1.0 . 3.70 1376 1305 A 87 PHE HA A 150 PHE HA 1.0 . 2.70 1377 1306 A 87 PHE HA A 151 MET H 1.0 . 3.70 1378 1307 A 151 MET H A 86 ARG H 1.0 . 2.91 1379 1308 A 47 THR HA A 157 SER HA 1.0 . 2.62 1380 1309 A 47 THR HA A 158 GLY H 1.0 . 3.70 1381 1310 A 46 TYR H A 158 GLY H 1.0 . 3.12 1382 1311 A 46 TYR H A 159 LYS HA 1.0 . 3.42 1383 1312 A 159 LYS HA A 45 SER HA 1.0 . 2.50 1384 1313 A 45 SER HA A 160 PHE H 1.0 . 3.80 1385 1314 A 44 VAL H A 160 PHE H 1.0 . 3.00 1386 1315 A 44 VAL H A 161 VAL HA 1.0 . 3.20 1387 1316 A 43 GLU HA A 161 VAL HA 1.0 . 2.21 1388 1317 A 43 GLU HA A 162 VAL H 1.0 . 3.70 1389 1318 A 162 VAL H A 42 MET H 1.0 . 3.00 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 save_