data_nef_c27305_6drf 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 18 ALA start . . 2 A 19 ARG middle . . 3 A 20 SER middle . . 4 A 21 PRO middle . false 5 A 22 ALA middle . . 6 A 23 GLU middle . . 7 A 24 MET middle . . 8 A 25 VAL middle . . 9 A 26 LEU middle . . 10 A 27 GLU middle . . 11 A 28 THR middle . . 12 A 29 LEU middle . . 13 A 30 MET middle . . 14 A 31 MET middle . . 15 A 32 GLU middle . . 16 A 33 LEU middle . . 17 A 34 THR middle . . 18 A 35 GLY middle . false 19 A 36 GLN middle . . 20 A 37 MET middle . . 21 A 38 ARG middle . . 22 A 39 GLU middle . . 23 A 40 ALA middle . . 24 A 41 GLU middle . . 25 A 42 ARG middle . . 26 A 43 GLN middle . . 27 A 44 GLN middle . . 28 A 45 ARG middle . . 29 A 46 GLU middle . . 30 A 47 ARG middle . . 31 A 48 SER middle . . 32 A 49 ASN middle . . 33 A 50 ALA middle . . 34 A 51 VAL middle . . 35 A 52 ARG middle . . 36 A 53 LYS middle . . 37 A 54 VAL middle . . 38 A 55 CYS middle . . 39 A 56 THR middle . . 40 A 57 GLY middle . false 41 A 58 VAL middle . . 42 A 59 ASP middle . . 43 A 60 TYR middle . . 44 A 61 SER middle . . 45 A 62 TRP middle . . 46 A 63 LEU middle . . 47 A 64 ALA middle . . 48 A 65 SER middle . . 49 A 66 THR middle . . 50 A 67 PRO middle . false 51 A 68 ASP middle . . 52 A 69 SER middle . . 53 A 70 THR middle . . 54 A 71 TYR middle . . 55 A 72 ASP middle . . 56 A 73 LEU middle . . 57 A 74 SER middle . . 58 A 75 PRO middle . false 59 A 76 ILE middle . . 60 A 77 GLU middle . . 61 A 78 ARG middle . . 62 A 79 LEU middle . . 63 A 80 GLN middle . . 64 A 81 LEU middle . . 65 A 82 GLU middle . . 66 A 83 ASP middle . . 67 A 84 VAL middle . . 68 A 85 CYS middle . . 69 A 86 VAL middle . . 70 A 87 LYS middle . . 71 A 88 ILE middle . . 72 A 89 HIS middle . . 73 A 90 PRO middle . false 74 A 91 SER middle . . 75 A 92 TYR middle . . 76 A 93 CYS middle . . 77 A 94 GLY middle . false 78 A 95 PRO middle . false 79 A 96 ALA middle . . 80 A 97 ILE middle . . 81 A 98 LEU middle . . 82 A 99 ARG middle . . 83 A 100 PHE middle . . 84 A 101 ARG middle . . 85 A 102 GLN middle . . 86 A 103 LEU middle . . 87 A 104 LEU middle . . 88 A 105 ALA middle . . 89 A 106 GLU middle . . 90 A 107 GLN middle . . 91 A 108 GLU middle . . 92 A 109 PRO middle . false 93 A 110 GLU middle . . 94 A 111 VAL middle . . 95 A 112 GLN middle . . 96 A 113 GLU middle . . 97 A 114 VAL middle . . 98 A 115 SER middle . . 99 A 116 GLN middle . . 100 A 117 LEU middle . . 101 A 118 PHE middle . . 102 A 119 ARG middle . . 103 A 120 SER middle . . 104 A 121 VAL middle . . 105 A 122 LEU middle . . 106 A 123 GLN middle . . 107 A 124 GLU middle . . 108 A 125 VAL middle . . 109 A 126 LEU middle . . 110 A 127 GLU middle . . 111 A 128 ARG middle . . 112 A 129 MET middle . . 113 A 130 LYS middle . . 114 A 131 GLN middle . . 115 A 132 GLU middle . . 116 A 133 GLU middle . . 117 A 134 GLU middle . . 118 A 135 ALA middle . . 119 A 136 HIS middle . . 120 A 137 LYS middle . . 121 A 138 LEU middle . . 122 A 139 THR middle . . 123 A 140 ARG middle . . 124 A 141 GLN middle . . 125 A 142 TRP middle . . 126 A 143 SER middle . . 127 A 144 LEU middle . . 128 A 145 ARG middle . . 129 A 146 PRO middle . false 130 A 147 ARG middle . . 131 A 148 GLY middle . false 132 A 149 SER middle . . 133 A 150 LEU middle . . 134 A 151 ALA middle . . 135 A 152 THR middle . . 136 A 153 PHE middle . . 137 A 154 GLU middle . . 138 A 155 THR middle . . 139 A 156 GLU middle . . 140 A 157 ALA middle . . 141 A 158 GLU middle . . 142 A 159 ILE middle . . 143 A 160 ASP end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 18 ALA HA H 1 4.06 0 A 18 ALA HB% H 1 1.501 0.001 A 18 ALA CA C 13 51.908 0.002 A 18 ALA CB C 13 19.908 0.005 A 19 ARG HA H 1 4.48 0.004 A 19 ARG HBy H 1 1.862 0 A 19 ARG HBx H 1 1.752 0 A 19 ARG HDx H 1 3.165 0 A 19 ARG HDy H 1 3.165 0 A 19 ARG HGx H 1 1.699 0.004 A 19 ARG HGy H 1 1.699 0.004 A 19 ARG C C 13 175.815 0 A 19 ARG CA C 13 56.02 0.04 A 19 ARG CB C 13 31.445 0.037 A 19 ARG CD C 13 43.639 0 A 20 SER H H 1 8.804 0.006 A 20 SER HA H 1 4.771 0.028 A 20 SER HBx H 1 3.972 0 A 20 SER HBy H 1 3.972 0 A 20 SER CA C 13 56.565 0.048 A 20 SER CB C 13 63.562 0 A 20 SER N N 15 119.868 0.064 A 21 PRO HA H 1 4.314 0.006 A 21 PRO HBy H 1 2.316 0.002 A 21 PRO HBx H 1 1.993 0.001 A 21 PRO C C 13 178.442 0 A 21 PRO CA C 13 65.772 0.022 A 21 PRO CB C 13 31.782 0.002 A 22 ALA H H 1 8.03 0.011 A 22 ALA HA H 1 4.336 0.011 A 22 ALA HB% H 1 1.452 0.009 A 22 ALA C C 13 179.571 0 A 22 ALA CA C 13 54.956 0.038 A 22 ALA CB C 13 18.827 0.019 A 22 ALA N N 15 118.803 0.065 A 23 GLU H H 1 7.653 0.013 A 23 GLU HA H 1 3.96 0.004 A 23 GLU HBx H 1 2.306 0 A 23 GLU HBy H 1 2.306 0 A 23 GLU HGx H 1 2.059 0 A 23 GLU HGy H 1 2.059 0 A 23 GLU C C 13 180.591 0 A 23 GLU CA C 13 59.107 0.087 A 23 GLU CB C 13 30.038 0 A 23 GLU N N 15 116.735 0.048 A 24 MET H H 1 8.402 0.004 A 24 MET HE% H 1 2.124 0 A 24 MET C C 13 179.061 0 A 24 MET CA C 13 58.68 0 A 24 MET CB C 13 34.321 0 A 24 MET CE C 13 16.885 0.015 A 24 MET N N 15 120.693 0.044 A 25 VAL H H 1 8.279 0.007 A 25 VAL HA H 1 3.617 0.007 A 25 VAL HB H 1 2.274 0.013 A 25 VAL HG1% H 1 1.008 0.005 A 25 VAL HG2% H 1 1.058 0.003 A 25 VAL C C 13 177.139 0 A 25 VAL CA C 13 67.47 0.039 A 25 VAL CB C 13 31.896 0.044 A 25 VAL CG1 C 13 22.029 0.063 A 25 VAL CG2 C 13 23.495 0.05 A 25 VAL N N 15 124.278 0.024 A 26 LEU H H 1 8.047 0.006 A 26 LEU HA H 1 3.814 0.004 A 26 LEU HB2 H 1 2.009 0.004 A 26 LEU HB3 H 1 1.614 0.004 A 26 LEU HD1% H 1 1.048 0.004 A 26 LEU HD2% H 1 0.935 0.007 A 26 LEU HG H 1 1.632 0.008 A 26 LEU C C 13 179.609 0 A 26 LEU CA C 13 59.542 0.02 A 26 LEU CB C 13 42.211 0.02 A 26 LEU CD1 C 13 25.778 0.029 A 26 LEU CD2 C 13 25.313 0.036 A 26 LEU CG C 13 27.556 0.006 A 26 LEU N N 15 119.891 0.041 A 27 GLU H H 1 8.022 0.008 A 27 GLU HA H 1 4.002 0 A 27 GLU HBx H 1 2.138 0.018 A 27 GLU HBy H 1 2.138 0.018 A 27 GLU HGx H 1 2.32 0.009 A 27 GLU HGy H 1 2.32 0.009 A 27 GLU C C 13 178.921 0 A 27 GLU CA C 13 59.651 0.024 A 27 GLU CB C 13 30.018 0 A 27 GLU N N 15 116.914 0.056 A 28 THR H H 1 8.271 0.006 A 28 THR HA H 1 3.912 0.018 A 28 THR HB H 1 4.315 0.014 A 28 THR HG2% H 1 1.261 0.014 A 28 THR C C 13 177.26 0 A 28 THR CA C 13 67.205 0.066 A 28 THR CB C 13 69.395 0.005 A 28 THR CG2 C 13 21.562 0 A 28 THR N N 15 115.935 0.041 A 29 LEU H H 1 8.778 0.01 A 29 LEU HA H 1 4.246 0.005 A 29 LEU HBx H 1 1.704 0 A 29 LEU HBy H 1 1.704 0 A 29 LEU HD1% H 1 0.917 0.008 A 29 LEU HD2% H 1 0.917 0.008 A 29 LEU HG H 1 1.231 0.007 A 29 LEU C C 13 178.581 0 A 29 LEU CA C 13 58.486 0.078 A 29 LEU CB C 13 41.878 0 A 29 LEU CD1 C 13 25.084 0.014 A 29 LEU CD2 C 13 25.084 0.014 A 29 LEU N N 15 121.367 0.031 A 30 MET H H 1 8.711 0.009 A 30 MET HA H 1 3.967 0.001 A 30 MET HBx H 1 2.207 0.008 A 30 MET HBy H 1 2.207 0.008 A 30 MET HE% H 1 1.958 0.006 A 30 MET C C 13 179.255 0 A 30 MET CA C 13 56.469 0.058 A 30 MET CB C 13 35.138 0 A 30 MET CE C 13 16.125 0.014 A 30 MET N N 15 116.227 0.04 A 31 MET H H 1 7.624 0.011 A 31 MET HA H 1 4.376 0 A 31 MET HBx H 1 2.276 0.008 A 31 MET HBy H 1 2.276 0.008 A 31 MET HE% H 1 2.069 0.001 A 31 MET HGx H 1 2.315 0.016 A 31 MET HGy H 1 2.315 0.016 A 31 MET C C 13 178.244 0 A 31 MET CA C 13 58.891 0 A 31 MET CB C 13 34.383 0 A 31 MET CE C 13 16.739 0.011 A 31 MET N N 15 122.91 0.025 A 32 GLU H H 1 8.029 0.008 A 32 GLU HA H 1 4.597 0.008 A 32 GLU HBx H 1 2.092 0 A 32 GLU HBy H 1 2.092 0 A 32 GLU HGx H 1 2.254 0 A 32 GLU HGy H 1 2.254 0 A 32 GLU C C 13 179.333 0 A 32 GLU CA C 13 59.145 0 A 32 GLU CB C 13 27.895 0 A 32 GLU N N 15 119.767 0.058 A 33 LEU H H 1 8.216 0.012 A 33 LEU HA H 1 3.714 0.013 A 33 LEU HBy H 1 1.692 0.012 A 33 LEU HBx H 1 0.194 0.016 A 33 LEU HD1% H 1 0.527 0.009 A 33 LEU HD2% H 1 0.623 0.004 A 33 LEU HG H 1 1.302 0.007 A 33 LEU C C 13 178.168 0 A 33 LEU CA C 13 59.126 0.023 A 33 LEU CB C 13 39.434 0.042 A 33 LEU CD1 C 13 23.28 0.029 A 33 LEU CD2 C 13 26.732 0.055 A 33 LEU CG C 13 26.978 0 A 33 LEU N N 15 121.37 0.046 A 34 THR H H 1 8.416 0.005 A 34 THR HA H 1 3.922 0.007 A 34 THR HB H 1 4.288 0.007 A 34 THR HG2% H 1 1.296 0.006 A 34 THR C C 13 177.389 0 A 34 THR CA C 13 66.918 0.037 A 34 THR CB C 13 68.941 0.132 A 34 THR CG2 C 13 21.628 0.01 A 34 THR N N 15 112.946 0.042 A 35 GLY H H 1 8.399 0.006 A 35 GLY HAy H 1 4.024 0.005 A 35 GLY HAx H 1 3.83 0 A 35 GLY C C 13 177.332 0 A 35 GLY CA C 13 47.24 0.065 A 35 GLY N N 15 109.742 0.034 A 36 GLN H H 1 8.45 0.008 A 36 GLN HA H 1 4.605 0.008 A 36 GLN HBx H 1 2.115 0.007 A 36 GLN HBy H 1 2.115 0.007 A 36 GLN HE2y H 1 8.01 0.01 A 36 GLN HE2x H 1 6.717 0.016 A 36 GLN HGx H 1 2.152 0.009 A 36 GLN HGy H 1 2.152 0.009 A 36 GLN C C 13 180.614 0 A 36 GLN CA C 13 57.487 0.016 A 36 GLN CB C 13 26.342 0 A 36 GLN CD C 13 178.865 0 A 36 GLN N N 15 120.353 0.034 A 36 GLN NE2 N 15 110.028 0.068 A 37 MET H H 1 8.826 0.012 A 37 MET HA H 1 3.99 0.014 A 37 MET HBx H 1 2.328 0.01 A 37 MET HBy H 1 2.328 0.01 A 37 MET HE% H 1 2.197 0.007 A 37 MET HGx H 1 2.472 0.017 A 37 MET HGy H 1 2.472 0.017 A 37 MET C C 13 177.38 0 A 37 MET CA C 13 60.916 0.079 A 37 MET CB C 13 33.802 0 A 37 MET CE C 13 16.703 0.01 A 37 MET N N 15 122.702 0.045 A 38 ARG H H 1 7.958 0.005 A 38 ARG HA H 1 4.264 0 A 38 ARG HBx H 1 1.859 0 A 38 ARG HBy H 1 1.859 0 A 38 ARG HDx H 1 3.292 0.013 A 38 ARG HDy H 1 3.292 0.013 A 38 ARG C C 13 180.012 0 A 38 ARG CA C 13 59.106 0.011 A 38 ARG CB C 13 29.907 0 A 38 ARG CD C 13 43.527 0 A 38 ARG N N 15 117.931 0.064 A 39 GLU H H 1 7.997 0.005 A 39 GLU HA H 1 4.395 0.01 A 39 GLU HBx H 1 2.086 0.005 A 39 GLU HBy H 1 2.086 0.005 A 39 GLU HGx H 1 2.168 0 A 39 GLU HGy H 1 2.168 0 A 39 GLU C C 13 178.029 0 A 39 GLU CA C 13 58.358 0.074 A 39 GLU N N 15 120.715 0.065 A 40 ALA H H 1 8.206 0.009 A 40 ALA HA H 1 4.219 0.003 A 40 ALA HB% H 1 1.445 0.01 A 40 ALA C C 13 180.652 0 A 40 ALA CA C 13 55.086 0.038 A 40 ALA CB C 13 17.638 0.021 A 40 ALA N N 15 122.938 0.039 A 41 GLU H H 1 8.153 0.007 A 41 GLU CA C 13 59.79 0.038 A 41 GLU CB C 13 29.89 0 A 41 GLU N N 15 119.349 0.046 A 42 ARG C C 13 178.338 0 A 43 GLN H H 1 8.058 0.007 A 43 GLN HA H 1 3.963 0.001 A 43 GLN HBx H 1 2.015 0 A 43 GLN HBy H 1 2.015 0 A 43 GLN HE2y H 1 7.617 0 A 43 GLN HE2x H 1 6.77 0 A 43 GLN HGx H 1 2.274 0 A 43 GLN HGy H 1 2.274 0 A 43 GLN C C 13 179.103 0 A 43 GLN CA C 13 59.828 0.004 A 43 GLN CB C 13 29.848 0 A 43 GLN N N 15 120.873 0.043 A 43 GLN NE2 N 15 111.32 0.043 A 44 GLN H H 1 8.426 0.009 A 44 GLN HA H 1 3.987 0 A 44 GLN HBx H 1 2.109 0 A 44 GLN HBy H 1 2.109 0 A 44 GLN HGx H 1 2.306 0 A 44 GLN HGy H 1 2.306 0 A 44 GLN C C 13 178.667 0 A 44 GLN CA C 13 58.911 0.069 A 44 GLN CB C 13 28.59 0 A 44 GLN N N 15 117.963 0.037 A 45 ARG H H 1 8.135 0.01 A 45 ARG HBx H 1 2.255 0 A 45 ARG HBy H 1 2.255 0 A 45 ARG HDx H 1 3.22 0 A 45 ARG HDy H 1 3.22 0 A 45 ARG C C 13 178.808 0 A 45 ARG CA C 13 58.819 0.157 A 45 ARG CB C 13 28.447 0 A 45 ARG N N 15 119.313 0.091 A 46 GLU H H 1 8.306 0.006 A 46 GLU HA H 1 4.154 0.018 A 46 GLU HBx H 1 2.144 0.029 A 46 GLU HBy H 1 2.144 0.029 A 46 GLU HGx H 1 2.445 0.059 A 46 GLU HGy H 1 2.445 0.059 A 46 GLU C C 13 178.808 0 A 46 GLU CA C 13 58.758 0.056 A 46 GLU CB C 13 29.427 0.124 A 46 GLU N N 15 119.964 0.028 A 47 ARG H H 1 8.037 0.006 A 47 ARG HA H 1 4.033 0 A 47 ARG HBx H 1 1.942 0.004 A 47 ARG HBy H 1 1.942 0.004 A 47 ARG HDx H 1 3.206 0.007 A 47 ARG HDy H 1 3.206 0.007 A 47 ARG HGx H 1 1.664 0.002 A 47 ARG HGy H 1 1.664 0.002 A 47 ARG C C 13 178.105 0 A 47 ARG CA C 13 58.544 0.015 A 47 ARG CB C 13 30.455 0 A 47 ARG N N 15 119.582 0.098 A 48 SER H H 1 8.117 0.012 A 48 SER HA H 1 4.37 0.007 A 48 SER HBy H 1 4.025 0 A 48 SER HBx H 1 3.99 0.009 A 48 SER C C 13 175.554 0 A 48 SER CA C 13 60.157 0.017 A 48 SER CB C 13 63.426 0.02 A 48 SER N N 15 114.92 0.053 A 49 ASN H H 1 8.242 0.01 A 49 ASN HA H 1 4.617 0.009 A 49 ASN HBx H 1 2.868 0.011 A 49 ASN HBy H 1 2.868 0.011 A 49 ASN HD2y H 1 7.649 0.003 A 49 ASN HD2x H 1 6.917 0.003 A 49 ASN C C 13 175.828 0 A 49 ASN CA C 13 54.445 0.027 A 49 ASN CB C 13 38.484 0.071 A 49 ASN CG C 13 176.582 0.009 A 49 ASN N N 15 120.026 0.017 A 49 ASN ND2 N 15 112.5 0.035 A 50 ALA H H 1 7.964 0.008 A 50 ALA HA H 1 4.265 0.001 A 50 ALA HB% H 1 1.487 0.003 A 50 ALA C C 13 178.543 0 A 50 ALA CA C 13 53.83 0.012 A 50 ALA CB C 13 18.944 0.033 A 50 ALA N N 15 122.591 0.045 A 51 VAL H H 1 7.781 0.005 A 51 VAL HA H 1 4.055 0.009 A 51 VAL HB H 1 2.157 0.009 A 51 VAL HG1% H 1 0.962 0.006 A 51 VAL HG2% H 1 1.014 0.007 A 51 VAL C C 13 176.51 0 A 51 VAL CA C 13 63.168 0.014 A 51 VAL CB C 13 32.411 0.013 A 51 VAL CG1 C 13 21.224 0.027 A 51 VAL CG2 C 13 20.994 0.023 A 51 VAL N N 15 117.083 0.037 A 52 ARG H H 1 8.065 0.007 A 52 ARG HA H 1 4.274 0.01 A 52 ARG HBx H 1 1.813 0.012 A 52 ARG HBy H 1 1.813 0.012 A 52 ARG HDx H 1 3.13 0.015 A 52 ARG HDy H 1 3.13 0.015 A 52 ARG HGx H 1 1.674 0.014 A 52 ARG HGy H 1 1.674 0.014 A 52 ARG C C 13 176.343 0 A 52 ARG CA C 13 56.669 0.076 A 52 ARG CB C 13 30.703 0.038 A 52 ARG CD C 13 43.623 0 A 52 ARG CG C 13 27.105 0 A 52 ARG N N 15 123.017 0.05 A 53 LYS H H 1 8.225 0.004 A 53 LYS HA H 1 4.288 0.004 A 53 LYS HBx H 1 1.817 0.011 A 53 LYS HBy H 1 1.817 0.011 A 53 LYS HDx H 1 1.669 0.012 A 53 LYS HDy H 1 1.669 0.012 A 53 LYS HEx H 1 2.963 0.003 A 53 LYS HEy H 1 2.963 0.003 A 53 LYS HGx H 1 1.411 0.013 A 53 LYS HGy H 1 1.411 0.013 A 53 LYS C C 13 176.635 0 A 53 LYS CA C 13 56.816 0.013 A 53 LYS CB C 13 33.014 0.053 A 53 LYS CD C 13 29.187 0.039 A 53 LYS CE C 13 42.182 0.005 A 53 LYS CG C 13 24.942 0.025 A 53 LYS N N 15 122.077 0.029 A 54 VAL H H 1 8.051 0.005 A 54 VAL HA H 1 4.141 0.01 A 54 VAL HB H 1 2.122 0.005 A 54 VAL HG1% H 1 0.942 0.004 A 54 VAL HG2% H 1 0.966 0.001 A 54 VAL C C 13 176.141 0 A 54 VAL CA C 13 62.571 0.032 A 54 VAL CB C 13 32.797 0.023 A 54 VAL CG1 C 13 21.29 0.004 A 54 VAL CG2 C 13 20.689 0.027 A 54 VAL N N 15 120.104 0.057 A 55 CYS H H 1 8.412 0.005 A 55 CYS HA H 1 4.56 0.003 A 55 CYS HBx H 1 2.911 0.002 A 55 CYS HBy H 1 2.911 0.002 A 55 CYS C C 13 174.775 0 A 55 CYS CA C 13 58.886 0.017 A 55 CYS CB C 13 28.152 0.01 A 55 CYS N N 15 122.832 0.078 A 56 THR H H 1 8.266 0 A 56 THR HA H 1 4.384 0.001 A 56 THR HB H 1 4.292 0.01 A 56 THR HG2% H 1 1.217 0.003 A 56 THR C C 13 174.956 0 A 56 THR CA C 13 62.143 0.016 A 56 THR CB C 13 69.869 0.082 A 56 THR CG2 C 13 21.622 0.032 A 56 THR N N 15 115.602 0 A 57 GLY H H 1 8.465 0.005 A 57 GLY HAy H 1 4.06 0 A 57 GLY HAx H 1 3.941 0 A 57 GLY C C 13 173.914 0 A 57 GLY CA C 13 45.397 0.002 A 57 GLY N N 15 111.527 0 A 58 VAL H H 1 7.881 0.006 A 58 VAL HA H 1 4.064 0.006 A 58 VAL HB H 1 1.972 0.005 A 58 VAL HG1% H 1 0.758 0.006 A 58 VAL HG2% H 1 0.844 0.002 A 58 VAL C C 13 175.224 0 A 58 VAL CA C 13 62.151 0.038 A 58 VAL CB C 13 32.978 0.013 A 58 VAL CG1 C 13 21.106 0.008 A 58 VAL CG2 C 13 20.432 0.017 A 58 VAL N N 15 119.039 0.052 A 59 ASP H H 1 8.261 0.006 A 59 ASP HA H 1 4.587 0.008 A 59 ASP HBy H 1 2.67 0.004 A 59 ASP HBx H 1 2.56 0.002 A 59 ASP C C 13 175.84 0 A 59 ASP CA C 13 53.954 0.015 A 59 ASP CB C 13 41.357 0.061 A 59 ASP N N 15 123.279 0.023 A 60 TYR H H 1 8.152 0.004 A 60 TYR HA H 1 4.382 0.004 A 60 TYR HBy H 1 2.913 0.015 A 60 TYR HBx H 1 2.757 0.021 A 60 TYR HDx H 1 7.031 0.012 A 60 TYR HDy H 1 7.031 0.012 A 60 TYR HEx H 1 6.815 0.011 A 60 TYR HEy H 1 6.815 0.011 A 60 TYR C C 13 176.361 0 A 60 TYR CA C 13 58.24 0.035 A 60 TYR CB C 13 38.287 0.062 A 60 TYR N N 15 121.566 0.029 A 61 SER H H 1 8.352 0.004 A 61 SER HA H 1 4.272 0.006 A 61 SER HBx H 1 3.848 0.004 A 61 SER HBy H 1 3.848 0.004 A 61 SER C C 13 174.615 0 A 61 SER CA C 13 59.787 0.034 A 61 SER CB C 13 63.443 0.009 A 61 SER N N 15 117.635 0.05 A 62 TRP H H 1 7.818 0.01 A 62 TRP HA H 1 4.609 0.01 A 62 TRP HBx H 1 3.307 0.006 A 62 TRP HBy H 1 3.307 0.006 A 62 TRP HD1 H 1 7.276 0.013 A 62 TRP HE1 H 1 10.184 0.003 A 62 TRP HE3 H 1 7.594 0.009 A 62 TRP HZ2 H 1 7.443 0 A 62 TRP C C 13 176.211 0 A 62 TRP CA C 13 57.54 0.055 A 62 TRP CB C 13 28.977 0.03 A 62 TRP CD1 C 13 127.406 0.211 A 62 TRP CE2 C 13 138.925 0 A 62 TRP N N 15 122.061 0.037 A 62 TRP NE1 N 15 129.92 0.037 A 63 LEU H H 1 7.593 0.006 A 63 LEU HA H 1 4.137 0.004 A 63 LEU HBx H 1 1.422 0.007 A 63 LEU HBy H 1 1.422 0.007 A 63 LEU HD1% H 1 0.801 0.002 A 63 LEU HD2% H 1 0.727 0.002 A 63 LEU HG H 1 1.202 0.009 A 63 LEU C C 13 176.821 0 A 63 LEU CA C 13 55.303 0.046 A 63 LEU CB C 13 42.49 0.028 A 63 LEU CD1 C 13 25.103 0.057 A 63 LEU CD2 C 13 23.691 0.028 A 63 LEU CG C 13 26.778 0.073 A 63 LEU N N 15 123.006 0.049 A 64 ALA H H 1 7.945 0.005 A 64 ALA HA H 1 4.259 0.008 A 64 ALA HB% H 1 1.386 0.004 A 64 ALA C C 13 177.553 0 A 64 ALA CA C 13 52.638 0.028 A 64 ALA CB C 13 19.263 0.045 A 64 ALA N N 15 123.645 0.051 A 65 SER H H 1 8.081 0.004 A 65 SER HA H 1 4.479 0.007 A 65 SER HBx H 1 3.866 0.007 A 65 SER HBy H 1 3.866 0.007 A 65 SER C C 13 174.203 0 A 65 SER CA C 13 58.279 0.012 A 65 SER CB C 13 63.879 0 A 65 SER N N 15 114.389 0.066 A 66 THR H H 1 8.097 0.004 A 66 THR HA H 1 4.656 0.021 A 66 THR HB H 1 4.2 0.01 A 66 THR HG2% H 1 1.241 0.011 A 66 THR CA C 13 59.767 0.051 A 66 THR CB C 13 69.671 0.039 A 66 THR CG2 C 13 21.559 0.056 A 66 THR N N 15 117.458 0.048 A 67 PRO HA H 1 4.428 0.005 A 67 PRO HBy H 1 2.289 0.004 A 67 PRO HBx H 1 1.951 0.01 A 67 PRO HDy H 1 3.822 0.002 A 67 PRO HDx H 1 3.709 0.002 A 67 PRO HGx H 1 2.004 0.012 A 67 PRO HGy H 1 2.004 0.012 A 67 PRO C C 13 176.529 0 A 67 PRO CA C 13 63.463 0.026 A 67 PRO CB C 13 32.102 0.016 A 67 PRO CD C 13 51.012 0.037 A 67 PRO CG C 13 27.404 0.026 A 68 ASP H H 1 8.38 0.003 A 68 ASP HA H 1 4.596 0.006 A 68 ASP HBy H 1 2.711 0 A 68 ASP HBx H 1 2.622 0 A 68 ASP C C 13 176.067 0 A 68 ASP CA C 13 54.541 0.014 A 68 ASP CB C 13 41.199 0.025 A 68 ASP N N 15 119.985 0.047 A 69 SER H H 1 8.146 0.004 A 69 SER HA H 1 4.521 0.009 A 69 SER HBx H 1 3.87 0.011 A 69 SER HBy H 1 3.87 0.011 A 69 SER C C 13 174.206 0 A 69 SER CA C 13 58.293 0.019 A 69 SER CB C 13 64.102 0.004 A 69 SER N N 15 115.894 0.041 A 70 THR H H 1 8.394 0.003 A 70 THR HA H 1 4.477 0.004 A 70 THR HB H 1 4.15 0.009 A 70 THR HG2% H 1 1.129 0.016 A 70 THR C C 13 173.897 0 A 70 THR CA C 13 61.715 0.027 A 70 THR CB C 13 70.401 0.06 A 70 THR CG2 C 13 21.474 0.055 A 70 THR N N 15 116.584 0.051 A 71 TYR H H 1 9.01 0.011 A 71 TYR HA H 1 4.383 0.004 A 71 TYR HBx H 1 2.869 0.017 A 71 TYR HBy H 1 2.869 0.017 A 71 TYR HDx H 1 6.974 0.024 A 71 TYR HDy H 1 6.974 0.024 A 71 TYR HEx H 1 6.806 0.018 A 71 TYR HEy H 1 6.806 0.018 A 71 TYR C C 13 173.926 0 A 71 TYR CA C 13 58.796 0.048 A 71 TYR CB C 13 39.565 0.045 A 71 TYR CEx C 13 118.127 0.013 A 71 TYR CEy C 13 118.127 0.013 A 71 TYR N N 15 126.012 0.084 A 72 ASP H H 1 7.518 0.007 A 72 ASP HA H 1 4.667 0.008 A 72 ASP HBy H 1 2.462 0 A 72 ASP HBx H 1 2.356 0 A 72 ASP C C 13 174.784 0 A 72 ASP CA C 13 52.529 0.031 A 72 ASP CB C 13 43.426 0.005 A 72 ASP N N 15 125.175 0.054 A 73 LEU H H 1 8.333 0.008 A 73 LEU HA H 1 4.244 0.013 A 73 LEU HBx H 1 1.472 0.012 A 73 LEU HBy H 1 1.472 0.012 A 73 LEU HD1% H 1 0.827 0.007 A 73 LEU HD2% H 1 0.883 0.007 A 73 LEU HG H 1 1.678 0.009 A 73 LEU C C 13 177.494 0 A 73 LEU CA C 13 54.401 0.046 A 73 LEU CB C 13 43.27 0.052 A 73 LEU CD1 C 13 25.734 0.039 A 73 LEU CD2 C 13 23.699 0.041 A 73 LEU CG C 13 26.942 0 A 73 LEU N N 15 120.66 0.02 A 74 SER H H 1 9.148 0.006 A 74 SER HA H 1 4.648 0.002 A 74 SER HBx H 1 4.001 0 A 74 SER HBy H 1 4.001 0 A 74 SER CA C 13 56.73 0.011 A 74 SER CB C 13 62.819 0 A 74 SER N N 15 122.628 0.029 A 75 PRO HA H 1 4.218 0.003 A 75 PRO HBx H 1 2.036 0.01 A 75 PRO HBy H 1 2.036 0.01 A 75 PRO C C 13 179.163 0 A 75 PRO CA C 13 65.918 0.014 A 75 PRO CB C 13 31.901 0 A 76 ILE H H 1 7.642 0.009 A 76 ILE HA H 1 3.921 0.01 A 76 ILE HB H 1 1.795 0.01 A 76 ILE HD1% H 1 0.891 0.002 A 76 ILE HG1y H 1 1.535 0.012 A 76 ILE HG1x H 1 1.291 0.01 A 76 ILE HG2% H 1 0.904 0.004 A 76 ILE C C 13 177.56 0 A 76 ILE CA C 13 63.583 0.051 A 76 ILE CB C 13 37.795 0.058 A 76 ILE CD1 C 13 12.636 0.026 A 76 ILE CG1 C 13 28.964 0.039 A 76 ILE CG2 C 13 17.395 0.042 A 76 ILE N N 15 115.753 0.033 A 77 GLU H H 1 7.502 0.005 A 77 GLU HA H 1 4.047 0.005 A 77 GLU HBx H 1 2.036 0.016 A 77 GLU HBy H 1 2.036 0.016 A 77 GLU HGx H 1 2.281 0 A 77 GLU HGy H 1 2.281 0 A 77 GLU C C 13 178.929 0 A 77 GLU CA C 13 59.309 0.033 A 77 GLU CB C 13 29.862 0 A 77 GLU N N 15 122.731 0.04 A 78 ARG H H 1 8.623 0.006 A 78 ARG HA H 1 3.74 0.008 A 78 ARG HBx H 1 1.862 0.005 A 78 ARG HBy H 1 1.862 0.005 A 78 ARG HDy H 1 3.234 0.014 A 78 ARG HDx H 1 3.111 0.006 A 78 ARG HGx H 1 1.727 0.014 A 78 ARG HGy H 1 1.727 0.014 A 78 ARG C C 13 177.622 0 A 78 ARG CA C 13 60.688 0.069 A 78 ARG CB C 13 29.996 0.015 A 78 ARG CD C 13 43.09 0 A 78 ARG CG C 13 29.942 0.032 A 78 ARG N N 15 118.746 0.033 A 79 LEU H H 1 7.872 0.008 A 79 LEU HA H 1 4.088 0.009 A 79 LEU HD1% H 1 0.808 0 A 79 LEU HD2% H 1 0.906 0.005 A 79 LEU HG H 1 1.446 0.01 A 79 LEU CA C 13 58.324 0.021 A 79 LEU CB C 13 42.024 0 A 79 LEU CD1 C 13 25.656 0 A 79 LEU CD2 C 13 24.086 0.074 A 79 LEU N N 15 118.89 0.04 A 80 GLN H H 1 7.851 0.006 A 80 GLN HA H 1 4.039 0.02 A 80 GLN HBx H 1 2.075 0.005 A 80 GLN HBy H 1 2.075 0.005 A 80 GLN HE2y H 1 7.354 0.003 A 80 GLN HE2x H 1 6.749 0.011 A 80 GLN HGy H 1 2.698 0.002 A 80 GLN HGx H 1 2.353 0.032 A 80 GLN C C 13 179.673 0 A 80 GLN CA C 13 58.921 0.064 A 80 GLN CB C 13 28.349 0.033 A 80 GLN CD C 13 179.976 0.006 A 80 GLN CG C 13 34.061 0 A 80 GLN N N 15 117.439 0.034 A 80 GLN NE2 N 15 110.59 0.026 A 81 LEU H H 1 8.173 0.009 A 81 LEU HA H 1 4.142 0.005 A 81 LEU HBx H 1 2.235 0.009 A 81 LEU HBy H 1 2.235 0.009 A 81 LEU HD1% H 1 0.991 0.002 A 81 LEU HD2% H 1 0.954 0.011 A 81 LEU HG H 1 1.999 0.011 A 81 LEU C C 13 179.717 0 A 81 LEU CA C 13 57.813 0.001 A 81 LEU CD1 C 13 23.457 0 A 81 LEU CD2 C 13 23.463 0 A 81 LEU N N 15 119.599 0.048 A 82 GLU H H 1 8.917 0.004 A 82 GLU HA H 1 3.786 0.013 A 82 GLU HBx H 1 2.052 0.015 A 82 GLU HBy H 1 2.052 0.015 A 82 GLU HGx H 1 2.238 0 A 82 GLU HGy H 1 2.238 0 A 82 GLU C C 13 178.323 0 A 82 GLU CA C 13 60.878 0.017 A 82 GLU CB C 13 29.339 0.013 A 82 GLU N N 15 122.574 0.029 A 83 ASP H H 1 7.693 0.004 A 83 ASP HA H 1 4.4 0.009 A 83 ASP HBy H 1 2.82 0.015 A 83 ASP HBx H 1 2.645 0.012 A 83 ASP C C 13 177.479 0 A 83 ASP CA C 13 56.921 0.053 A 83 ASP CB C 13 41.556 0.069 A 83 ASP N N 15 116.476 0.045 A 84 VAL H H 1 7.272 0.011 A 84 VAL HA H 1 3.8 0.014 A 84 VAL HB H 1 2.134 0.007 A 84 VAL HG1% H 1 0.9 0.007 A 84 VAL HG2% H 1 1.06 0.01 A 84 VAL C C 13 177.846 0 A 84 VAL CA C 13 65.586 0.029 A 84 VAL CB C 13 31.975 0.02 A 84 VAL CG1 C 13 23.093 0.037 A 84 VAL CG2 C 13 22.031 0.029 A 84 VAL N N 15 116.963 0.044 A 85 CYS H H 1 8.402 0.003 A 85 CYS HA H 1 3.825 0.016 A 85 CYS HBy H 1 3.223 0.015 A 85 CYS HBx H 1 2.539 0.017 A 85 CYS C C 13 176.331 0 A 85 CYS CA C 13 64.903 0.023 A 85 CYS CB C 13 28.238 0.031 A 85 CYS N N 15 116.464 0.083 A 86 VAL H H 1 7.367 0.004 A 86 VAL HA H 1 4.008 0.007 A 86 VAL HB H 1 2.297 0.009 A 86 VAL HG1% H 1 1.076 0.004 A 86 VAL HG2% H 1 1.046 0.002 A 86 VAL C C 13 176.877 0 A 86 VAL CA C 13 63.822 0.096 A 86 VAL CB C 13 31.848 0.092 A 86 VAL CG1 C 13 21.429 0.021 A 86 VAL CG2 C 13 20.407 0.036 A 86 VAL N N 15 107.884 0.025 A 87 LYS H H 1 7.566 0.011 A 87 LYS HA H 1 4.12 0.019 A 87 LYS HBx H 1 1.668 0.009 A 87 LYS HBy H 1 1.668 0.009 A 87 LYS C C 13 176.843 0 A 87 LYS CA C 13 56.676 0 A 87 LYS N N 15 120.048 0.012 A 88 ILE H H 1 7.363 0.01 A 88 ILE HA H 1 3.64 0.015 A 88 ILE HB H 1 2.207 0.009 A 88 ILE HD1% H 1 0.618 0.01 A 88 ILE HG1y H 1 1.606 0.012 A 88 ILE HG1x H 1 1.258 0.014 A 88 ILE HG2% H 1 0.837 0.01 A 88 ILE C C 13 174.952 0 A 88 ILE CA C 13 60.056 0.021 A 88 ILE CB C 13 35.952 0.038 A 88 ILE CD1 C 13 10.747 0.02 A 88 ILE CG1 C 13 27.041 0.06 A 88 ILE CG2 C 13 16.805 0.033 A 88 ILE N N 15 119.713 0.029 A 89 HIS H H 1 7.115 0.004 A 89 HIS HA H 1 4.681 0.01 A 89 HIS HBy H 1 3.316 0.004 A 89 HIS HBx H 1 3.142 0.003 A 89 HIS HD2 H 1 7.26 0 A 89 HIS CA C 13 56.29 0.003 A 89 HIS CB C 13 31.738 0.053 A 89 HIS N N 15 128.36 0.035 A 90 PRO C C 13 178.93 0 A 91 SER H H 1 10.445 0.011 A 91 SER HA H 1 4.328 0 A 91 SER C C 13 175.181 0 A 91 SER CA C 13 61.569 0.006 A 91 SER CB C 13 62.875 0 A 91 SER N N 15 116.727 0.035 A 92 TYR H H 1 8.735 0.009 A 92 TYR HA H 1 4.436 0.024 A 92 TYR HBx H 1 3.292 0.016 A 92 TYR HBy H 1 3.292 0.016 A 92 TYR HDx H 1 7.128 0.011 A 92 TYR HDy H 1 7.128 0.011 A 92 TYR HEx H 1 6.72 0.035 A 92 TYR HEy H 1 6.72 0.035 A 92 TYR C C 13 175.883 0 A 92 TYR CA C 13 59.07 0.025 A 92 TYR CB C 13 39.244 0.088 A 92 TYR N N 15 119.011 0.036 A 93 CYS H H 1 7.648 0.01 A 93 CYS HA H 1 3.939 0.009 A 93 CYS HBy H 1 3.108 0.01 A 93 CYS HBx H 1 2.903 0.016 A 93 CYS C C 13 174.83 0 A 93 CYS CA C 13 64.302 0.048 A 93 CYS CB C 13 27.142 0.055 A 93 CYS N N 15 121.728 0.054 A 94 GLY H H 1 9.125 0.006 A 94 GLY CA C 13 48.193 0 A 94 GLY N N 15 105.962 0.04 A 95 PRO HA H 1 4.058 0 A 95 PRO HDx H 1 3.585 0.005 A 95 PRO HDy H 1 3.585 0.005 A 95 PRO C C 13 178.134 0 A 95 PRO CA C 13 65.637 0.049 A 96 ALA H H 1 8.103 0.009 A 96 ALA HA H 1 4 0.007 A 96 ALA HB% H 1 1.497 0.014 A 96 ALA CA C 13 55.429 0.065 A 96 ALA CB C 13 17.951 0.054 A 96 ALA N N 15 120.726 0.052 A 97 ILE H H 1 8.187 0.014 A 97 ILE HA H 1 3.709 0.014 A 97 ILE HB H 1 2.144 0.012 A 97 ILE HD1% H 1 0.937 0.005 A 97 ILE HG2% H 1 0.952 0.002 A 97 ILE C C 13 177.945 0 A 97 ILE CA C 13 66.847 0.059 A 97 ILE CB C 13 37.75 0.021 A 97 ILE CD1 C 13 13.897 0.028 A 97 ILE CG2 C 13 16.211 0.012 A 97 ILE N N 15 119.377 0.102 A 98 LEU H H 1 8.285 0.01 A 98 LEU HA H 1 4.137 0.004 A 98 LEU HBx H 1 1.782 0 A 98 LEU HBy H 1 1.782 0 A 98 LEU HD1% H 1 0.91 0.011 A 98 LEU HD2% H 1 0.91 0.011 A 98 LEU HG H 1 1.55 0.014 A 98 LEU CA C 13 58.529 0.021 A 98 LEU CB C 13 41.383 0 A 98 LEU CD1 C 13 26.151 0.069 A 98 LEU CD2 C 13 26.151 0.069 A 98 LEU N N 15 119.176 0.048 A 100 PHE HBx H 1 2.873 0.011 A 100 PHE HBy H 1 2.873 0.011 A 100 PHE HDx H 1 7.123 0.02 A 100 PHE HDy H 1 7.123 0.02 A 100 PHE HEx H 1 6.772 0.025 A 100 PHE HEy H 1 6.772 0.025 A 100 PHE HZ H 1 7.215 0.022 A 101 ARG HE H 1 8.671 0.011 A 101 ARG CD C 13 42.734 0 A 101 ARG NE N 15 86.735 0 A 102 GLN HA H 1 4.085 0.013 A 102 GLN HBx H 1 2.243 0.008 A 102 GLN HBy H 1 2.243 0.008 A 102 GLN HE2y H 1 7.775 0.009 A 102 GLN HE2x H 1 6.759 0.016 A 102 GLN HGx H 1 2.533 0.01 A 102 GLN HGy H 1 2.533 0.01 A 102 GLN CA C 13 58.961 0 A 102 GLN CB C 13 28.024 0 A 102 GLN CD C 13 180.191 0.015 A 102 GLN CG C 13 33.328 0 A 102 GLN NE2 N 15 111.969 0.04 A 103 LEU H H 1 8.761 0.005 A 103 LEU HA H 1 3.704 0.004 A 103 LEU HBx H 1 1.856 0 A 103 LEU HBy H 1 1.856 0 A 103 LEU HD1% H 1 0.92 0.009 A 103 LEU HD2% H 1 0.92 0.009 A 103 LEU HG H 1 1.221 0.014 A 103 LEU C C 13 179.673 0 A 103 LEU CA C 13 60.485 0.033 A 103 LEU N N 15 116.603 0.038 A 104 LEU H H 1 8.511 0.009 A 104 LEU HA H 1 3.647 0.017 A 104 LEU HBy H 1 1.618 0.013 A 104 LEU HBx H 1 1.261 0.006 A 104 LEU HD1% H 1 -0.047 0.012 A 104 LEU HD2% H 1 0.647 0.011 A 104 LEU HG H 1 1.245 0.01 A 104 LEU C C 13 179.878 0 A 104 LEU CA C 13 58.203 0.047 A 104 LEU CB C 13 41.834 0.105 A 104 LEU CD1 C 13 24.413 0.028 A 104 LEU CD2 C 13 23.7 0.012 A 104 LEU CG C 13 26.344 0.021 A 104 LEU N N 15 120.256 0.018 A 105 ALA H H 1 7.529 0.01 A 105 ALA HA H 1 4.135 0.01 A 105 ALA HB% H 1 1.522 0.012 A 105 ALA C C 13 179.321 0 A 105 ALA CA C 13 54.362 0.053 A 105 ALA CB C 13 18.095 0.037 A 105 ALA N N 15 120.807 0.027 A 106 GLU H H 1 7.722 0.005 A 106 GLU HA H 1 4.133 0.011 A 106 GLU HBx H 1 2.163 0.02 A 106 GLU HBy H 1 2.163 0.02 A 106 GLU HGx H 1 2.563 0.02 A 106 GLU HGy H 1 2.563 0.02 A 106 GLU C C 13 178.236 0 A 106 GLU CA C 13 58.426 0.01 A 106 GLU CB C 13 31.271 0.046 A 106 GLU CG C 13 36.583 0 A 106 GLU N N 15 115.634 0.041 A 107 GLN H H 1 8.308 0.011 A 107 GLN HA H 1 4.3 0.012 A 107 GLN HBx H 1 1.817 0.005 A 107 GLN HBy H 1 1.817 0.005 A 107 GLN HE2y H 1 7.596 0.002 A 107 GLN HE2x H 1 6.733 0.007 A 107 GLN HGx H 1 2.465 0.023 A 107 GLN HGy H 1 2.465 0.023 A 107 GLN C C 13 175.463 0 A 107 GLN CA C 13 56.737 0.072 A 107 GLN CB C 13 30.021 0.088 A 107 GLN CD C 13 179.034 0.009 A 107 GLN CG C 13 34.261 0.041 A 107 GLN N N 15 115.07 0.049 A 107 GLN NE2 N 15 110.551 0.076 A 108 GLU H H 1 8.165 0.005 A 108 GLU HA H 1 4.113 0 A 108 GLU HBx H 1 1.934 0 A 108 GLU HBy H 1 1.934 0 A 108 GLU HGx H 1 2.119 0 A 108 GLU HGy H 1 2.119 0 A 108 GLU CA C 13 56.532 0.04 A 108 GLU CB C 13 29.282 0 A 108 GLU N N 15 115.845 0.051 A 109 PRO HA H 1 4.492 0.009 A 109 PRO HBx H 1 2.14 0.007 A 109 PRO HBy H 1 2.14 0.007 A 109 PRO HDx H 1 3.443 0.002 A 109 PRO HDy H 1 3.443 0.002 A 109 PRO HGx H 1 1.789 0.009 A 109 PRO HGy H 1 1.789 0.009 A 109 PRO C C 13 177.804 0 A 109 PRO CA C 13 62.739 0.036 A 109 PRO CB C 13 31.589 0.029 A 110 GLU H H 1 8.458 0.009 A 110 GLU HA H 1 4.281 0.013 A 110 GLU HBx H 1 1.763 0.008 A 110 GLU HBy H 1 1.763 0.008 A 110 GLU HGx H 1 2.268 0.011 A 110 GLU HGy H 1 2.268 0.011 A 110 GLU C C 13 179.051 0 A 110 GLU CA C 13 56.182 0.043 A 110 GLU CB C 13 30.418 0.046 A 110 GLU CG C 13 36.395 0 A 110 GLU N N 15 118.764 0.037 A 111 VAL H H 1 8.902 0.009 A 111 VAL HA H 1 3.659 0.017 A 111 VAL HB H 1 1.913 0.008 A 111 VAL HG1% H 1 0.843 0.004 A 111 VAL HG2% H 1 1.033 0.009 A 111 VAL C C 13 176.605 0 A 111 VAL CA C 13 66.281 0.009 A 111 VAL CB C 13 31.571 0.085 A 111 VAL CG1 C 13 19.583 0.059 A 111 VAL CG2 C 13 22.685 0.108 A 111 VAL N N 15 121.314 0.04 A 112 GLN H H 1 8.866 0.01 A 112 GLN HA H 1 3.863 0.017 A 112 GLN HBx H 1 2.013 0.01 A 112 GLN HBy H 1 2.013 0.01 A 112 GLN HE2y H 1 7.607 0.001 A 112 GLN HE2x H 1 7.251 0.009 A 112 GLN HGx H 1 2.383 0.006 A 112 GLN HGy H 1 2.383 0.006 A 112 GLN C C 13 176.251 0 A 112 GLN CA C 13 58.227 0.046 A 112 GLN CB C 13 26.719 0.077 A 112 GLN CD C 13 180.275 0 A 112 GLN CG C 13 33.276 0.08 A 112 GLN N N 15 118.732 0.054 A 112 GLN NE2 N 15 112.46 0.048 A 113 GLU H H 1 7.987 0.007 A 113 GLU HA H 1 4.528 0.013 A 113 GLU HBx H 1 2.234 0.013 A 113 GLU HBy H 1 2.234 0.013 A 113 GLU C C 13 177.714 0 A 113 GLU CA C 13 56.255 0.033 A 113 GLU CB C 13 31.341 0.026 A 113 GLU N N 15 118.564 0.025 A 114 VAL H H 1 7.577 0.01 A 114 VAL HA H 1 3.473 0.009 A 114 VAL HB H 1 2.243 0.005 A 114 VAL HG1% H 1 1.03 0.019 A 114 VAL HG2% H 1 0.998 0.013 A 114 VAL C C 13 177.886 0 A 114 VAL CA C 13 68.119 0.026 A 114 VAL CB C 13 31.477 0 A 114 VAL CG1 C 13 24.309 0.008 A 114 VAL CG2 C 13 24.191 0.069 A 114 VAL N N 15 122.095 0.041 A 115 SER H H 1 9.668 0.011 A 115 SER HA H 1 3.976 0.008 A 115 SER C C 13 176.592 0 A 115 SER CA C 13 62.084 0.022 A 115 SER N N 15 115.824 0.047 A 116 GLN H H 1 7.721 0.006 A 116 GLN HA H 1 4.232 0.018 A 116 GLN HBx H 1 2.245 0.008 A 116 GLN HBy H 1 2.245 0.008 A 116 GLN HE2y H 1 7.611 0.002 A 116 GLN HE2x H 1 6.948 0.007 A 116 GLN HGx H 1 2.524 0.006 A 116 GLN HGy H 1 2.524 0.006 A 116 GLN C C 13 178.64 0 A 116 GLN CA C 13 58.728 0.03 A 116 GLN CB C 13 27.989 0.044 A 116 GLN CD C 13 180.047 0.018 A 116 GLN CG C 13 33.53 0.029 A 116 GLN N N 15 123.575 0.03 A 116 GLN NE2 N 15 112.501 0.034 A 117 LEU H H 1 7.773 0.009 A 117 LEU HA H 1 4.337 0.012 A 117 LEU HBx H 1 2.017 0.012 A 117 LEU HBy H 1 2.017 0.012 A 117 LEU HD1% H 1 1.011 0.006 A 117 LEU HD2% H 1 0.951 0.004 A 117 LEU HG H 1 1.864 0.007 A 117 LEU C C 13 179.195 0 A 117 LEU CA C 13 58.048 0.035 A 117 LEU CB C 13 41.947 0.036 A 117 LEU CD1 C 13 24.238 0.033 A 117 LEU CD2 C 13 24.841 0.027 A 117 LEU CG C 13 27.64 0.037 A 117 LEU N N 15 122.867 0.035 A 118 PHE H H 1 8.56 0.005 A 118 PHE HA H 1 3.689 0.015 A 118 PHE HBy H 1 3.081 0.012 A 118 PHE HBx H 1 2.838 0.016 A 118 PHE HDx H 1 6.037 0.013 A 118 PHE HDy H 1 6.037 0.013 A 118 PHE HEx H 1 6.821 0.015 A 118 PHE HEy H 1 6.821 0.015 A 118 PHE HZ H 1 7.097 0.018 A 118 PHE C C 13 176.528 0 A 118 PHE CA C 13 61.123 0.031 A 118 PHE CB C 13 39.674 0.043 A 118 PHE N N 15 120.191 0.018 A 119 ARG H H 1 8.409 0.006 A 119 ARG HA H 1 3.624 0.012 A 119 ARG HBx H 1 2.026 0.009 A 119 ARG HBy H 1 2.026 0.009 A 119 ARG HDx H 1 3.242 0.018 A 119 ARG HDy H 1 3.242 0.018 A 119 ARG HGx H 1 1.672 0.009 A 119 ARG HGy H 1 1.672 0.009 A 119 ARG C C 13 178.291 0 A 119 ARG CA C 13 60.165 0.028 A 119 ARG CB C 13 30.148 0.022 A 119 ARG CD C 13 43.385 0 A 119 ARG CG C 13 28.566 0.069 A 119 ARG N N 15 117.841 0.04 A 120 SER H H 1 8.026 0.006 A 120 SER HA H 1 4.12 0.015 A 120 SER HBx H 1 3.646 0 A 120 SER HBy H 1 3.646 0 A 120 SER C C 13 177.115 0 A 120 SER CA C 13 62.131 0 A 120 SER N N 15 115.524 0.032 A 121 VAL H H 1 7.987 0.006 A 121 VAL HA H 1 3.671 0.008 A 121 VAL HB H 1 2.191 0.004 A 121 VAL HG1% H 1 0.99 0.008 A 121 VAL HG2% H 1 1.173 0.007 A 121 VAL C C 13 177.903 0 A 121 VAL CA C 13 66.652 0.052 A 121 VAL CB C 13 31.406 0.011 A 121 VAL CG1 C 13 21.612 0.041 A 121 VAL CG2 C 13 24.296 0.043 A 121 VAL N N 15 124.484 0.045 A 122 LEU H H 1 8.008 0.008 A 122 LEU HA H 1 3.71 0.012 A 122 LEU HBy H 1 1.71 0.018 A 122 LEU HBx H 1 1.104 0.017 A 122 LEU HD1% H 1 0.401 0.006 A 122 LEU HD2% H 1 0.323 0.006 A 122 LEU HG H 1 1.149 0.009 A 122 LEU C C 13 178.753 0 A 122 LEU CA C 13 58.027 0.039 A 122 LEU CB C 13 40.409 0.082 A 122 LEU CD1 C 13 27.066 0.074 A 122 LEU CD2 C 13 21.341 0.016 A 122 LEU CG C 13 25.898 0.024 A 122 LEU N N 15 118.381 0.023 A 123 GLN H H 1 8.15 0.004 A 123 GLN HA H 1 3.943 0.007 A 123 GLN HBx H 1 2.171 0.013 A 123 GLN HBy H 1 2.171 0.013 A 123 GLN HE2y H 1 7.573 0.002 A 123 GLN HE2x H 1 6.786 0.005 A 123 GLN HGx H 1 2.443 0.01 A 123 GLN HGy H 1 2.443 0.01 A 123 GLN C C 13 178.445 0 A 123 GLN CA C 13 58.945 0.027 A 123 GLN CB C 13 27.95 0.029 A 123 GLN CD C 13 179.716 0 A 123 GLN CG C 13 33.744 0.049 A 123 GLN N N 15 116.72 0.03 A 123 GLN NE2 N 15 111.577 0.046 A 124 GLU H H 1 7.735 0.007 A 124 GLU HA H 1 4.061 0.005 A 124 GLU HBx H 1 2.182 0 A 124 GLU HBy H 1 2.182 0 A 124 GLU HGx H 1 2.412 0 A 124 GLU HGy H 1 2.412 0 A 124 GLU C C 13 179.935 0 A 124 GLU CA C 13 59.674 0.008 A 124 GLU CB C 13 29.86 0 A 124 GLU N N 15 120.336 0.04 A 125 VAL H H 1 8.169 0.007 A 125 VAL HA H 1 3.499 0.007 A 125 VAL HB H 1 2.238 0.008 A 125 VAL HG1% H 1 0.898 0.007 A 125 VAL HG2% H 1 1.099 0.009 A 125 VAL CA C 13 66.892 0.025 A 125 VAL CB C 13 31.234 0.013 A 125 VAL CG1 C 13 23.055 0.03 A 125 VAL CG2 C 13 22.943 0.049 A 125 VAL N N 15 120.85 0.058 A 126 LEU H H 1 8.389 0.008 A 126 LEU HA H 1 4.14 0.015 A 126 LEU HD1% H 1 0.936 0.01 A 126 LEU HD2% H 1 0.812 0.009 A 126 LEU HG H 1 1.657 0.009 A 126 LEU C C 13 178.825 0 A 126 LEU CA C 13 58.393 0.046 A 126 LEU CB C 13 43.054 0 A 126 LEU CD1 C 13 26.64 0.085 A 126 LEU CD2 C 13 23.738 0.022 A 126 LEU CG C 13 27.133 0 A 126 LEU N N 15 120.841 0.04 A 127 GLU H H 1 7.735 0.006 A 127 GLU HBx H 1 1.995 0 A 127 GLU HBy H 1 1.995 0 A 127 GLU C C 13 178.608 0 A 127 GLU CA C 13 59.181 0 A 127 GLU N N 15 120.025 0.006 A 128 ARG H H 1 8.142 0.006 A 128 ARG HA H 1 4.046 0 A 128 ARG HDx H 1 3.199 0 A 128 ARG HDy H 1 3.199 0 A 128 ARG HE H 1 8.014 0 A 128 ARG C C 13 179.026 0 A 128 ARG CA C 13 59.145 0 A 128 ARG CD C 13 42.96 0.03 A 128 ARG CG C 13 27.063 0 A 128 ARG CZ C 13 159.496 0 A 128 ARG N N 15 120.583 0.062 A 128 ARG NE N 15 83.024 0 A 129 MET H H 1 8.693 0.006 A 129 MET HA H 1 4.106 0.009 A 129 MET HBx H 1 1.94 0.004 A 129 MET HBy H 1 1.94 0.004 A 129 MET HE% H 1 2.192 0.001 A 129 MET HGx H 1 2.464 0.013 A 129 MET HGy H 1 2.464 0.013 A 129 MET CA C 13 59.142 0.108 A 129 MET CB C 13 33.511 0 A 129 MET CE C 13 15.235 0.008 A 129 MET N N 15 119.168 0.031 A 130 LYS H H 1 8.095 0.006 A 130 LYS C C 13 178.979 0 A 130 LYS CA C 13 59.079 0.072 A 130 LYS CB C 13 32.888 0 A 130 LYS N N 15 120.767 0.052 A 131 GLN H H 1 7.983 0.005 A 131 GLN HA H 1 3.988 0 A 131 GLN HBx H 1 2.349 0.001 A 131 GLN HBy H 1 2.349 0.001 A 131 GLN C C 13 179.176 0 A 131 GLN CA C 13 59.161 0.176 A 131 GLN N N 15 121.944 0.032 A 132 GLU H H 1 7.976 0.006 A 132 GLU C C 13 179.171 0 A 132 GLU CA C 13 58.498 0.061 A 132 GLU CB C 13 29.37 0 A 132 GLU N N 15 119.398 0 A 133 GLU H H 1 7.966 0.008 A 133 GLU HA H 1 4.107 0.003 A 133 GLU HBx H 1 1.977 0.012 A 133 GLU HBy H 1 1.977 0.012 A 133 GLU C C 13 178.615 0 A 133 GLU CA C 13 59.309 0.023 A 133 GLU CB C 13 30.135 0 A 133 GLU N N 15 119.668 0 A 134 GLU H H 1 8.143 0.005 A 134 GLU HA H 1 4.088 0.002 A 134 GLU HBx H 1 2.087 0.012 A 134 GLU HBy H 1 2.087 0.012 A 134 GLU HGx H 1 2.376 0 A 134 GLU HGy H 1 2.376 0 A 134 GLU C C 13 178.267 0 A 134 GLU CA C 13 58.646 0.018 A 134 GLU CB C 13 29.819 0.001 A 134 GLU CG C 13 36.276 0 A 134 GLU N N 15 118.942 0 A 135 ALA H H 1 7.976 0.005 A 135 ALA HA H 1 4.148 0.005 A 135 ALA HB% H 1 1.4 0.006 A 135 ALA C C 13 179.629 0 A 135 ALA CA C 13 54.643 0.152 A 135 ALA CB C 13 18.279 0.046 A 135 ALA N N 15 121.985 0.051 A 136 HIS H H 1 8.028 0.007 A 136 HIS HA H 1 4.519 0.003 A 136 HIS HBx H 1 3.194 0.015 A 136 HIS HBy H 1 3.194 0.015 A 136 HIS HD2 H 1 7.069 0.014 A 136 HIS CA C 13 57.743 0.084 A 136 HIS CB C 13 29.937 0.027 A 136 HIS N N 15 117.031 0.074 A 137 LYS C C 13 177.739 0 A 137 LYS CA C 13 58.472 0.023 A 137 LYS CB C 13 32.487 0 A 138 LEU H H 1 7.891 0.009 A 138 LEU HA H 1 4.267 0.011 A 138 LEU HBx H 1 1.745 0.01 A 138 LEU HBy H 1 1.745 0.01 A 138 LEU HD1% H 1 0.917 0.005 A 138 LEU HD2% H 1 0.86 0.007 A 138 LEU HG H 1 1.347 0.005 A 138 LEU C C 13 178.098 0 A 138 LEU CA C 13 56.322 0.012 A 138 LEU CB C 13 42.094 0.009 A 138 LEU CD1 C 13 25.027 0.065 A 138 LEU CD2 C 13 23.399 0.072 A 138 LEU N N 15 119.748 0.055 A 139 THR H H 1 7.911 0.006 A 139 THR HA H 1 4.219 0 A 139 THR HB H 1 4.297 0.01 A 139 THR HG2% H 1 1.248 0.01 A 139 THR C C 13 175.303 0 A 139 THR CA C 13 63.135 0.06 A 139 THR CB C 13 69.695 0.006 A 139 THR CG2 C 13 21.693 0 A 139 THR N N 15 112.7 0.024 A 140 ARG H H 1 8.075 0.005 A 140 ARG HA H 1 4.191 0.005 A 140 ARG HBx H 1 1.756 0.003 A 140 ARG HBy H 1 1.756 0.003 A 140 ARG HDx H 1 3.09 0.01 A 140 ARG HDy H 1 3.09 0.01 A 140 ARG HGx H 1 1.562 0.007 A 140 ARG HGy H 1 1.562 0.007 A 140 ARG C C 13 176.704 0 A 140 ARG CA C 13 56.997 0.048 A 140 ARG CB C 13 30.255 0.05 A 140 ARG CD C 13 43.377 0.022 A 140 ARG CG C 13 27.076 0.015 A 140 ARG N N 15 122.116 0.049 A 141 GLN H H 1 8.192 0.004 A 141 GLN HA H 1 4.228 0.009 A 141 GLN HBx H 1 1.978 0.009 A 141 GLN HBy H 1 1.978 0.009 A 141 GLN HE2y H 1 7.378 0.007 A 141 GLN HE2x H 1 6.849 0.003 A 141 GLN HGx H 1 2.243 0.005 A 141 GLN HGy H 1 2.243 0.005 A 141 GLN C C 13 176.343 0 A 141 GLN CA C 13 56.764 0.084 A 141 GLN CB C 13 29.057 0.047 A 141 GLN CD C 13 180.094 0.013 A 141 GLN CG C 13 33.727 0.027 A 141 GLN N N 15 119.9 0 A 141 GLN NE2 N 15 112.017 0.023 A 142 TRP H H 1 8.12 0.01 A 142 TRP HA H 1 4.658 0.005 A 142 TRP HBx H 1 3.274 0.017 A 142 TRP HBy H 1 3.274 0.017 A 142 TRP HD1 H 1 7.257 0.016 A 142 TRP HE1 H 1 10.18 0.006 A 142 TRP HE3 H 1 7.568 0 A 142 TRP HZ2 H 1 7.448 0 A 142 TRP C C 13 176.45 0 A 142 TRP CA C 13 57.795 0 A 142 TRP CB C 13 29.615 0.028 A 142 TRP CD1 C 13 127.109 0.248 A 142 TRP CE2 C 13 138.916 0 A 142 TRP N N 15 121.191 0.04 A 142 TRP NE1 N 15 129.276 0.042 A 143 SER H H 1 8.041 0 A 143 SER HA H 1 4.334 0.002 A 143 SER HBx H 1 3.808 0 A 143 SER HBy H 1 3.808 0 A 143 SER C C 13 174.13 0 A 143 SER CA C 13 58.865 0.044 A 143 SER CB C 13 63.85 0.048 A 143 SER N N 15 115.935 0 A 144 LEU H H 1 7.993 0.006 A 144 LEU HA H 1 4.332 0.002 A 144 LEU HBx H 1 1.626 0.021 A 144 LEU HBy H 1 1.626 0.021 A 144 LEU HD1% H 1 0.919 0 A 144 LEU HD2% H 1 0.85 0 A 144 LEU C C 13 176.852 0 A 144 LEU CA C 13 55.184 0.095 A 144 LEU CB C 13 42.356 0.048 A 144 LEU CD1 C 13 24.969 0 A 144 LEU CD2 C 13 23.458 0 A 144 LEU N N 15 123.05 0.042 A 145 ARG H H 1 8.08 0.002 A 145 ARG HA H 1 4.566 0.003 A 145 ARG HBx H 1 1.747 0.012 A 145 ARG HBy H 1 1.747 0.012 A 145 ARG HDx H 1 3.086 0.016 A 145 ARG HDy H 1 3.086 0.016 A 145 ARG HGx H 1 1.599 0.008 A 145 ARG HGy H 1 1.599 0.008 A 145 ARG CA C 13 53.973 0.024 A 145 ARG CB C 13 30.187 0.068 A 145 ARG CD C 13 43.401 0.005 A 145 ARG CG C 13 26.941 0.059 A 145 ARG N N 15 122.172 0.029 A 146 PRO HA H 1 4.399 0.009 A 146 PRO HBy H 1 2.275 0.005 A 146 PRO HBx H 1 1.881 0.003 A 146 PRO HDy H 1 3.773 0.004 A 146 PRO HDx H 1 3.583 0.006 A 146 PRO HGy H 1 2.024 0.002 A 146 PRO HGx H 1 1.973 0.002 A 146 PRO C C 13 176.98 0 A 146 PRO CA C 13 63.253 0.074 A 146 PRO CB C 13 32.085 0.015 A 146 PRO CD C 13 50.663 0.034 A 146 PRO CG C 13 27.5 0.032 A 147 ARG H H 1 8.541 0.004 A 147 ARG HA H 1 4.283 0 A 147 ARG HBx H 1 1.829 0.018 A 147 ARG HBy H 1 1.829 0.018 A 147 ARG HDx H 1 3.16 0.004 A 147 ARG HDy H 1 3.16 0.004 A 147 ARG HGx H 1 1.67 0.004 A 147 ARG HGy H 1 1.67 0.004 A 147 ARG C C 13 176.967 0 A 147 ARG CA C 13 56.533 0.049 A 147 ARG CB C 13 30.741 0.011 A 147 ARG CD C 13 43.383 0.017 A 147 ARG CG C 13 26.98 0 A 147 ARG N N 15 121.872 0.053 A 148 GLY H H 1 8.518 0.004 A 148 GLY HAx H 1 3.976 0 A 148 GLY HAy H 1 3.976 0 A 148 GLY C C 13 174.139 0 A 148 GLY CA C 13 45.377 0.081 A 148 GLY N N 15 110.192 0.012 A 149 SER H H 1 8.217 0 A 149 SER HA H 1 4.449 0.013 A 149 SER HBx H 1 3.877 0.005 A 149 SER HBy H 1 3.877 0.005 A 149 SER C C 13 174.511 0 A 149 SER CA C 13 58.495 0.097 A 149 SER CB C 13 63.978 0.041 A 149 SER N N 15 115.704 0 A 150 LEU H H 1 8.289 0.004 A 150 LEU HA H 1 4.359 0.017 A 150 LEU HBx H 1 1.626 0.011 A 150 LEU HBy H 1 1.626 0.011 A 150 LEU HD1% H 1 0.917 0.003 A 150 LEU HD2% H 1 0.858 0.001 A 150 LEU HG H 1 1.64 0.001 A 150 LEU C C 13 176.957 0 A 150 LEU CA C 13 55.25 0.083 A 150 LEU CB C 13 42.359 0.049 A 150 LEU CD1 C 13 25.009 0.051 A 150 LEU CD2 C 13 23.443 0.039 A 150 LEU CG C 13 27.026 0.012 A 150 LEU N N 15 123.635 0.02 A 151 ALA H H 1 8.263 0.005 A 151 ALA HA H 1 4.308 0.001 A 151 ALA HB% H 1 1.323 0.004 A 151 ALA C C 13 177.529 0 A 151 ALA CA C 13 52.632 0.082 A 151 ALA CB C 13 19.317 0.051 A 151 ALA N N 15 124.283 0.042 A 152 THR H H 1 7.931 0.004 A 152 THR HA H 1 4.264 0.009 A 152 THR HB H 1 4.163 0.002 A 152 THR HG2% H 1 1.111 0.002 A 152 THR C C 13 174.125 0 A 152 THR CA C 13 61.739 0.064 A 152 THR CB C 13 69.846 0.088 A 152 THR CG2 C 13 21.568 0.032 A 152 THR N N 15 112.448 0.037 A 153 PHE H H 1 8.135 0.005 A 153 PHE HA H 1 4.665 0.019 A 153 PHE HBy H 1 3.159 0.052 A 153 PHE HBx H 1 3.037 0.011 A 153 PHE HDx H 1 7.244 0.008 A 153 PHE HDy H 1 7.244 0.008 A 153 PHE HEx H 1 7.336 0.01 A 153 PHE HEy H 1 7.336 0.01 A 153 PHE C C 13 175.505 0 A 153 PHE CA C 13 57.664 0.054 A 153 PHE CB C 13 39.572 0.014 A 153 PHE N N 15 121.05 0.017 A 154 GLU H H 1 8.37 0.004 A 154 GLU HA H 1 4.321 0.006 A 154 GLU HBy H 1 2.033 0.008 A 154 GLU HBx H 1 1.939 0.007 A 154 GLU HGx H 1 2.192 0.016 A 154 GLU HGy H 1 2.192 0.016 A 154 GLU C C 13 176.297 0 A 154 GLU CA C 13 56.781 0.083 A 154 GLU CB C 13 30.458 0.002 A 154 GLU CG C 13 36.407 0 A 154 GLU N N 15 121.857 0.049 A 155 THR H H 1 8.109 0.005 A 155 THR HA H 1 4.341 0.014 A 155 THR HB H 1 4.226 0.002 A 155 THR HG2% H 1 1.206 0.005 A 155 THR C C 13 174.388 0 A 155 THR CA C 13 61.894 0.055 A 155 THR CB C 13 69.986 0.113 A 155 THR CG2 C 13 21.619 0.009 A 155 THR N N 15 114.536 0.011 A 156 GLU H H 1 8.452 0.017 A 156 GLU HA H 1 4.287 0.003 A 156 GLU HBy H 1 2.072 0 A 156 GLU HBx H 1 1.95 0.003 A 156 GLU HGx H 1 2.286 0.012 A 156 GLU HGy H 1 2.286 0.012 A 156 GLU C C 13 175.882 0 A 156 GLU CA C 13 56.636 0.072 A 156 GLU CB C 13 30.351 0.027 A 156 GLU CG C 13 36.404 0 A 156 GLU N N 15 123.292 0.031 A 157 ALA H H 1 8.249 0.003 A 157 ALA HA H 1 4.299 0.009 A 157 ALA HB% H 1 1.367 0.004 A 157 ALA C C 13 177.361 0 A 157 ALA CA C 13 52.389 0.006 A 157 ALA CB C 13 19.616 0.069 A 157 ALA N N 15 124.862 0.029 A 158 GLU H H 1 8.374 0.003 A 158 GLU HA H 1 4.292 0.006 A 158 GLU HBy H 1 2.052 0 A 158 GLU HBx H 1 1.932 0.001 A 158 GLU HGx H 1 2.281 0.011 A 158 GLU HGy H 1 2.281 0.011 A 158 GLU C C 13 176.143 0 A 158 GLU CA C 13 56.511 0.045 A 158 GLU CB C 13 30.245 0.006 A 158 GLU CG C 13 36.41 0 A 158 GLU N N 15 120.683 0.054 A 159 ILE H H 1 8.148 0.003 A 159 ILE HA H 1 4.228 0.001 A 159 ILE HB H 1 1.888 0.002 A 159 ILE HD1% H 1 0.854 0.005 A 159 ILE HG1y H 1 1.45 0.009 A 159 ILE HG1x H 1 1.15 0.004 A 159 ILE HG2% H 1 0.918 0.002 A 159 ILE C C 13 174.942 0 A 159 ILE CA C 13 61.068 0.043 A 159 ILE CB C 13 39.399 0.028 A 159 ILE CD1 C 13 13.177 0.012 A 159 ILE CG1 C 13 26.847 0.074 A 159 ILE CG2 C 13 17.64 0.005 A 159 ILE N N 15 121.474 0.018 A 160 ASP H H 1 7.964 0.003 A 160 ASP HA H 1 4.215 0 A 160 ASP HBx H 1 2.577 0 A 160 ASP HBy H 1 2.577 0 A 160 ASP CA C 13 55.997 0.001 A 160 ASP CB C 13 42.382 0 A 160 ASP N N 15 129.487 0.025 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 20 SER H A 19 ARG HBy 1.0 1.55 3.50 2 1 A 19 ARG HBx A 20 SER H 1.0 1.55 3.50 3 2 A 20 SER H A 19 ARG HA 1.0 1.55 2.86 4 3 A 20 SER H A 23 GLU H 1.0 1.55 4.15 5 4 A 23 GLU H A 20 SER HA 1.0 1.55 5.17 6 5 A 20 SER HA A 25 VAL HG2% 1.0 1.55 9.62 7 6 A 20 SER H A 22 ALA H 1.0 1.55 4.93 8 7 A 22 ALA H A 21 PRO HBy 1.0 1.55 4.07 9 7 A 22 ALA H A 21 PRO HBx 1.0 1.55 4.07 10 8 A 23 GLU H A 21 PRO HA 1.0 1.55 4.18 11 9 A 22 ALA H A 23 GLU HA 1.0 1.55 5.28 12 10 A 23 GLU H A 22 ALA H 1.0 1.55 2.90 13 11 A 22 ALA H A 25 VAL H 1.0 1.55 4.98 14 12 A 23 GLU H A 22 ALA HB% 1.0 1.55 3.58 15 13 A 22 ALA HB% A 86 VAL H 1.0 1.55 4.98 16 14 A 22 ALA H A 86 VAL HG1% 1.0 1.55 6.75 17 15 A 22 ALA H A 86 VAL HG2% 1.0 1.55 6.90 18 16 A 22 ALA HB% A 86 VAL HG2% 1.0 1.55 4.33 19 17 A 22 ALA HB% A 86 VAL HA 1.0 1.55 3.42 20 18 A 22 ALA HA A 24 MET HE% 1.0 1.55 5.55 21 19 A 22 ALA HB% A 88 ILE H 1.0 1.55 7.30 22 20 A 23 GLU H A 26 LEU HD1% 1.0 1.55 7.21 23 21 A 23 GLU HA A 25 VAL H 1.0 1.55 4.96 24 22 A 23 GLU H A 25 VAL HG2% 1.0 1.55 5.80 25 22 A 23 GLU H A 25 VAL HG1% 1.0 1.55 5.80 26 23 A 23 GLU H A 25 VAL H 1.0 1.55 4.47 27 24 A 23 GLU H A 24 MET H 1.0 1.55 3.12 28 25 A 24 MET HE% A 26 LEU HD2% 1.0 1.55 8.67 29 25 A 24 MET HE% A 26 LEU HD1% 1.0 1.55 8.67 30 26 A 25 VAL HA A 28 THR H 1.0 1.55 3.70 31 27 A 88 ILE H A 25 VAL HG2% 1.0 1.55 7.04 32 27 A 88 ILE H A 25 VAL HG1% 1.0 1.55 7.04 33 28 A 25 VAL HG2% A 93 CYS HBy 1.0 1.55 4.45 34 28 A 25 VAL HG1% A 93 CYS HBy 1.0 1.55 4.45 35 28 A 93 CYS HBx A 25 VAL HG2% 1.0 1.55 4.45 36 28 A 25 VAL HG1% A 93 CYS HBx 1.0 1.55 4.45 37 29 A 93 CYS HBx A 25 VAL HG2% 1.0 1.55 5.68 38 29 A 25 VAL HG2% A 93 CYS HBy 1.0 1.55 5.68 39 30 A 25 VAL HB A 85 CYS HBy 1.0 1.55 5.50 40 30 A 25 VAL HB A 85 CYS HBx 1.0 1.55 5.50 41 31 A 25 VAL HG1% A 93 CYS HBx 1.0 1.55 4.45 42 31 A 25 VAL HG1% A 93 CYS HBy 1.0 1.55 4.45 43 32 A 25 VAL HA A 29 LEU H 1.0 1.55 4.37 44 33 A 26 LEU HD1% A 82 GLU H 1.0 1.55 7.27 45 34 A 86 VAL H A 26 LEU HD1% 1.0 1.55 4.35 46 35 A 26 LEU HD1% A 30 MET HBy 1.0 1.55 6.75 47 35 A 26 LEU HD1% A 30 MET HBx 1.0 1.55 6.75 48 36 A 26 LEU HD1% A 93 CYS HBx 1.0 1.55 7.82 49 36 A 26 LEU HD1% A 93 CYS HBy 1.0 1.55 7.82 50 37 A 26 LEU HD1% A 85 CYS HBx 1.0 1.55 3.95 51 37 A 26 LEU HD1% A 85 CYS HBy 1.0 1.55 3.95 52 38 A 29 LEU H A 26 LEU HD2% 1.0 1.55 7.45 53 39 A 30 MET HE% A 26 LEU HD2% 1.0 1.55 6.35 54 40 A 27 GLU H A 26 LEU HD2% 1.0 1.55 5.20 55 40 A 26 LEU HD1% A 27 GLU H 1.0 1.55 5.20 56 41 A 28 THR H A 26 LEU HD2% 1.0 1.55 6.72 57 41 A 26 LEU HD1% A 28 THR H 1.0 1.55 6.72 58 42 A 28 THR H A 26 LEU HG 1.0 1.55 6.41 59 43 A 27 GLU H A 26 LEU HB2 1.0 1.55 3.10 60 43 A 27 GLU H A 26 LEU HB3 1.0 1.55 3.10 61 44 A 29 LEU H A 27 GLU HBx 1.0 1.55 5.44 62 44 A 29 LEU H A 27 GLU HBy 1.0 1.55 5.44 63 45 A 27 GLU H A 28 THR HB 1.0 1.55 5.94 64 46 A 28 THR H A 27 GLU HBx 1.0 1.55 3.00 65 46 A 28 THR H A 27 GLU HBy 1.0 1.55 3.00 66 47 A 28 THR H A 27 GLU H 1.0 1.55 2.93 67 48 A 29 LEU H A 27 GLU H 1.0 1.55 4.25 68 49 A 28 THR H A 27 GLU HGx 1.0 1.55 4.33 69 49 A 28 THR H A 27 GLU HGy 1.0 1.55 4.33 70 50 A 28 THR H A 29 LEU HG 1.0 1.55 6.59 71 51 A 28 THR HA A 31 MET HE% 1.0 1.55 5.69 72 52 A 28 THR H A 31 MET HE% 1.0 1.55 4.48 73 53 A 28 THR HB A 31 MET HE% 1.0 1.55 6.45 74 54 A 31 MET HE% A 28 THR HG2% 1.0 1.55 7.86 75 55 A 28 THR H A 29 LEU H 1.0 1.55 3.27 76 56 A 29 LEU H A 28 THR HA 1.0 1.55 3.45 77 57 A 28 THR HG2% A 30 MET H 1.0 1.55 6.45 78 58 A 29 LEU H A 28 THR HB 1.0 1.55 3.77 79 59 A 118 PHE HE% A 29 LEU HD1% 1.0 1.55 4.58 80 59 A 29 LEU HD2% A 118 PHE HE% 1.0 1.55 4.58 81 60 A 33 LEU H A 29 LEU HD1% 1.0 1.55 6.05 82 60 A 29 LEU HD2% A 33 LEU H 1.0 1.55 6.05 83 61 A 29 LEU H A 30 MET HA 1.0 1.55 5.05 84 62 A 29 LEU H A 122 LEU HD2% 1.0 1.55 8.54 85 63 A 34 THR H A 29 LEU HD1% 1.0 1.55 7.95 86 63 A 29 LEU HD2% A 34 THR H 1.0 1.55 7.95 87 64 A 29 LEU H A 118 PHE HE% 1.0 1.55 5.87 88 65 A 29 LEU H A 85 CYS HBy 1.0 1.55 6.54 89 65 A 85 CYS HBx A 29 LEU H 1.0 1.55 6.54 90 66 A 29 LEU HD2% A 33 LEU HD2% 1.0 1.55 8.96 91 66 A 29 LEU HD1% A 33 LEU HD2% 1.0 1.55 8.96 92 67 A 93 CYS H A 29 LEU HD1% 1.0 1.55 6.57 93 67 A 29 LEU HD2% A 93 CYS H 1.0 1.55 6.57 94 68 A 29 LEU HG A 97 ILE HD1% 1.0 1.55 5.02 95 69 A 29 LEU HG A 97 ILE HG2% 1.0 1.55 8.47 96 70 A 29 LEU HD2% A 93 CYS HBy 1.0 1.55 4.07 97 70 A 93 CYS HBx A 29 LEU HD1% 1.0 1.55 4.07 98 70 A 93 CYS HBx A 29 LEU HD2% 1.0 1.55 4.07 99 70 A 29 LEU HD1% A 93 CYS HBy 1.0 1.55 4.07 100 71 A 30 MET HE% A 81 LEU H 1.0 1.55 6.25 101 72 A 30 MET HE% A 118 PHE HZ 1.0 1.55 6.39 102 73 A 30 MET HE% A 118 PHE HE% 1.0 1.55 6.13 103 74 A 30 MET HE% A 118 PHE HD% 1.0 1.55 6.13 104 75 A 30 MET HE% A 33 LEU HD2% 1.0 1.55 4.75 105 76 A 31 MET HE% A 30 MET H 1.0 1.55 6.14 106 77 A 30 MET HE% A 33 LEU HD2% 1.0 1.55 4.87 107 77 A 30 MET HE% A 33 LEU HD1% 1.0 1.55 4.87 108 78 A 30 MET HE% A 33 LEU HD1% 1.0 1.55 5.79 109 79 A 30 MET HE% A 118 PHE HBy 1.0 1.55 5.89 110 79 A 30 MET HE% A 118 PHE HBx 1.0 1.55 5.89 111 80 A 30 MET HE% A 85 CYS HBy 1.0 1.55 5.52 112 80 A 85 CYS HBx A 30 MET HE% 1.0 1.55 5.52 113 81 A 30 MET HE% A 33 LEU HBy 1.0 1.55 3.78 114 81 A 30 MET HE% A 33 LEU HBx 1.0 1.55 3.78 115 82 A 30 MET HE% A 37 MET HE% 1.0 1.55 7.72 116 83 A 30 MET HE% A 31 MET H 1.0 1.55 5.82 117 84 A 30 MET H A 31 MET H 1.0 1.55 3.57 118 85 A 30 MET H A 81 LEU HD2% 1.0 1.55 7.41 119 85 A 30 MET H A 81 LEU HD1% 1.0 1.55 7.41 120 86 A 30 MET HE% A 34 THR H 1.0 1.55 5.90 121 87 A 30 MET H A 32 GLU HA 1.0 1.55 6.99 122 88 A 30 MET H A 118 PHE HZ 1.0 1.55 5.49 123 89 A 30 MET H A 32 GLU H 1.0 1.55 4.31 124 90 A 30 MET H A 118 PHE HE% 1.0 1.55 5.79 125 91 A 30 MET H A 34 THR HB 1.0 1.55 7.01 126 92 A 30 MET HE% A 85 CYS H 1.0 1.55 5.89 127 93 A 82 GLU H A 30 MET HE% 1.0 1.55 4.50 128 94 A 35 GLY H A 31 MET HGx 1.0 1.55 5.23 129 94 A 31 MET HGy A 35 GLY H 1.0 1.55 5.23 130 95 A 97 ILE HD1% A 31 MET H 1.0 1.55 6.59 131 96 A 33 LEU H A 31 MET HBx 1.0 1.55 5.32 132 96 A 33 LEU H A 31 MET HBy 1.0 1.55 5.32 133 97 A 97 ILE HG2% A 31 MET H 1.0 1.55 8.52 134 98 A 34 THR H A 31 MET HGx 1.0 1.55 5.97 135 98 A 34 THR H A 31 MET HGy 1.0 1.55 5.97 136 99 A 34 THR H A 31 MET HBx 1.0 1.55 4.99 137 99 A 34 THR H A 31 MET HBy 1.0 1.55 4.99 138 100 A 31 MET H A 32 GLU H 1.0 1.55 3.10 139 101 A 31 MET H A 33 LEU HD2% 1.0 1.55 6.84 140 101 A 33 LEU HD1% A 31 MET H 1.0 1.55 6.84 141 102 A 34 THR H A 32 GLU HA 1.0 1.55 4.22 142 103 A 32 GLU H A 33 LEU HD2% 1.0 1.55 6.34 143 103 A 33 LEU HD1% A 32 GLU H 1.0 1.55 6.34 144 104 A 33 LEU HD1% A 32 GLU H 1.0 1.55 6.65 145 105 A 32 GLU H A 33 LEU HD2% 1.0 1.55 6.37 146 106 A 33 LEU H A 32 GLU HA 1.0 1.55 3.72 147 107 A 32 GLU H A 100 PHE HBx 1.0 1.55 6.84 148 107 A 32 GLU H A 100 PHE HBy 1.0 1.55 6.84 149 108 A 32 GLU H A 100 PHE HD% 1.0 1.55 6.74 150 109 A 118 PHE HZ A 32 GLU H 1.0 1.55 6.69 151 110 A 118 PHE HE% A 33 LEU HD1% 1.0 1.55 5.74 152 111 A 37 MET HE% A 33 LEU HD2% 1.0 1.55 3.46 153 111 A 33 LEU HD1% A 37 MET HE% 1.0 1.55 3.46 154 112 A 34 THR H A 33 LEU HD2% 1.0 1.55 4.75 155 113 A 33 LEU HD1% A 37 MET HA 1.0 1.55 5.29 156 114 A 118 PHE HE% A 33 LEU HD2% 1.0 1.55 6.44 157 115 A 118 PHE HZ A 33 LEU HD2% 1.0 1.55 7.08 158 116 A 116 GLN H A 33 LEU HD2% 1.0 1.55 7.90 159 117 A 37 MET HA A 33 LEU HD2% 1.0 1.55 6.98 160 118 A 37 MET HE% A 33 LEU HD2% 1.0 1.55 4.57 161 119 A 118 PHE HBx A 33 LEU HD2% 1.0 1.55 5.86 162 119 A 33 LEU HD2% A 118 PHE HBy 1.0 1.55 5.86 163 120 A 118 PHE HD% A 33 LEU HD2% 1.0 1.55 5.77 164 121 A 73 LEU HD1% A 33 LEU HD2% 1.0 1.55 5.69 165 121 A 33 LEU HD1% A 73 LEU HD1% 1.0 1.55 5.69 166 122 A 118 PHE HD% A 33 LEU HD1% 1.0 1.55 4.63 167 123 A 33 LEU HD1% A 37 MET HE% 1.0 1.55 3.45 168 124 A 33 LEU HD1% A 81 LEU HD2% 1.0 1.55 6.54 169 125 A 37 MET HE% A 33 LEU HA 1.0 1.55 5.29 170 126 A 33 LEU HD1% A 104 LEU HD1% 1.0 1.55 6.77 171 127 A 33 LEU HD2% A 114 VAL HG2% 1.0 1.55 7.10 172 127 A 33 LEU HD1% A 114 VAL HG2% 1.0 1.55 7.10 173 128 A 111 VAL HG1% A 33 LEU HD2% 1.0 1.55 9.57 174 128 A 33 LEU HD1% A 111 VAL HG1% 1.0 1.55 9.57 175 129 A 33 LEU HD1% A 118 PHE HBx 1.0 1.55 3.91 176 129 A 33 LEU HD1% A 118 PHE HBy 1.0 1.55 3.91 177 130 A 33 LEU HBy A 81 LEU HD2% 1.0 1.55 5.82 178 130 A 33 LEU HBx A 81 LEU HD2% 1.0 1.55 5.82 179 130 A 81 LEU HD1% A 33 LEU HBy 1.0 1.55 5.82 180 130 A 33 LEU HBx A 81 LEU HD1% 1.0 1.55 5.82 181 131 A 33 LEU HD1% A 81 LEU HD2% 1.0 1.55 6.45 182 131 A 33 LEU HD2% A 81 LEU HD2% 1.0 1.55 6.45 183 131 A 81 LEU HD1% A 33 LEU HD2% 1.0 1.55 6.45 184 131 A 33 LEU HD1% A 81 LEU HD1% 1.0 1.55 6.45 185 132 A 33 LEU H A 104 LEU HD2% 1.0 1.55 8.67 186 133 A 33 LEU HBx A 114 VAL HG2% 1.0 1.55 7.12 187 133 A 33 LEU HBy A 114 VAL HG2% 1.0 1.55 7.12 188 133 A 114 VAL HG1% A 33 LEU HBy 1.0 1.55 7.12 189 133 A 33 LEU HBx A 114 VAL HG1% 1.0 1.55 7.12 190 134 A 33 LEU HD1% A 116 GLN H 1.0 1.55 5.88 191 135 A 33 LEU HA A 37 MET H 1.0 1.55 4.04 192 136 A 33 LEU H A 104 LEU HD1% 1.0 1.55 8.44 193 137 A 34 THR H A 33 LEU HA 1.0 1.55 3.40 194 138 A 34 THR H A 33 LEU HBy 1.0 1.55 3.37 195 138 A 34 THR H A 33 LEU HBx 1.0 1.55 3.37 196 139 A 33 LEU HD1% A 37 MET H 1.0 1.55 5.34 197 140 A 33 LEU H A 100 PHE HE% 1.0 1.55 6.26 198 141 A 34 THR H A 33 LEU HD2% 1.0 1.55 4.75 199 141 A 34 THR H A 33 LEU HD1% 1.0 1.55 4.75 200 142 A 114 VAL H A 33 LEU HD2% 1.0 1.55 7.20 201 142 A 33 LEU HD1% A 114 VAL H 1.0 1.55 7.20 202 143 A 118 PHE H A 33 LEU HD2% 1.0 1.55 6.37 203 143 A 33 LEU HD1% A 118 PHE H 1.0 1.55 6.37 204 144 A 117 LEU H A 33 LEU HD2% 1.0 1.55 8.57 205 145 A 36 GLN H A 33 LEU HD2% 1.0 1.55 6.82 206 145 A 33 LEU HD1% A 36 GLN H 1.0 1.55 6.82 207 146 A 33 LEU H A 118 PHE HBy 1.0 1.55 6.74 208 146 A 33 LEU H A 118 PHE HBx 1.0 1.55 6.74 209 147 A 116 GLN H A 33 LEU HD2% 1.0 1.55 7.01 210 147 A 33 LEU HD1% A 116 GLN H 1.0 1.55 7.01 211 148 A 33 LEU HD1% A 36 GLN H 1.0 1.55 6.19 212 149 A 118 PHE HZ A 33 LEU HD1% 1.0 1.55 6.62 213 150 A 34 THR HG2% A 39 GLU H 1.0 1.55 6.06 214 151 A 34 THR HB A 35 GLY H 1.0 1.55 3.66 215 152 A 34 THR HB A 37 MET H 1.0 1.55 5.25 216 153 A 37 MET H A 34 THR HG2% 1.0 1.55 5.78 217 154 A 36 GLN H A 34 THR HA 1.0 1.55 4.18 218 155 A 35 GLY H A 34 THR HG2% 1.0 1.55 4.51 219 156 A 34 THR HG2% A 38 ARG H 1.0 1.55 4.22 220 157 A 36 GLN H A 35 GLY HAy 1.0 1.55 3.43 221 157 A 36 GLN H A 35 GLY HAx 1.0 1.55 3.43 222 158 A 35 GLY H A 37 MET H 1.0 1.55 3.96 223 159 A 35 GLY H A 36 GLN HA 1.0 1.55 5.04 224 160 A 35 GLY H A 36 GLN HGx 1.0 1.55 5.75 225 160 A 35 GLY H A 36 GLN HGy 1.0 1.55 5.75 226 161 A 101 ARG HE A 36 GLN HE2x 1.0 1.55 4.65 227 161 A 36 GLN HE2y A 101 ARG HE 1.0 1.55 4.65 228 162 A 36 GLN HE2y A 103 LEU HD1% 1.0 1.55 9.15 229 162 A 36 GLN HE2x A 103 LEU HD1% 1.0 1.55 9.15 230 162 A 103 LEU HD2% A 36 GLN HE2x 1.0 1.55 9.15 231 162 A 36 GLN HE2y A 103 LEU HD2% 1.0 1.55 9.15 232 163 A 36 GLN HE2y A 100 PHE HBx 1.0 1.55 4.70 233 163 A 36 GLN HE2x A 100 PHE HBx 1.0 1.55 4.70 234 163 A 100 PHE HBy A 36 GLN HE2x 1.0 1.55 4.70 235 163 A 100 PHE HBy A 36 GLN HE2y 1.0 1.55 4.70 236 164 A 37 MET HE% A 36 GLN HE2x 1.0 1.55 9.57 237 164 A 37 MET HE% A 36 GLN HE2y 1.0 1.55 9.57 238 165 A 36 GLN HE2y A 101 ARG HGx 1.0 1.55 5.24 239 165 A 36 GLN HE2x A 101 ARG HGx 1.0 1.55 5.24 240 165 A 101 ARG HGy A 36 GLN HE2x 1.0 1.55 5.24 241 165 A 36 GLN HE2y A 101 ARG HGy 1.0 1.55 5.24 242 166 A 36 GLN HE2y A 114 VAL HG2% 1.0 1.55 5.67 243 166 A 114 VAL HG1% A 36 GLN HE2x 1.0 1.55 5.67 244 166 A 114 VAL HG1% A 36 GLN HE2y 1.0 1.55 5.67 245 166 A 36 GLN HE2x A 114 VAL HG2% 1.0 1.55 5.67 246 167 A 104 LEU HD2% A 36 GLN HGx 1.0 1.55 4.51 247 167 A 104 LEU HD2% A 36 GLN HGy 1.0 1.55 4.51 248 168 A 104 LEU HD1% A 36 GLN HA 1.0 1.55 5.79 249 169 A 104 LEU HD1% A 36 GLN HBx 1.0 1.55 3.31 250 169 A 104 LEU HD1% A 36 GLN HBy 1.0 1.55 3.31 251 170 A 37 MET H A 36 GLN H 1.0 1.55 3.18 252 171 A 36 GLN H A 100 PHE HZ 1.0 1.55 6.93 253 172 A 104 LEU HD1% A 36 GLN H 1.0 1.55 5.84 254 173 A 37 MET H A 36 GLN HBx 1.0 1.55 3.75 255 173 A 37 MET H A 36 GLN HBy 1.0 1.55 3.75 256 174 A 37 MET H A 36 GLN HA 1.0 1.55 3.57 257 175 A 36 GLN HA A 40 ALA H 1.0 1.55 3.36 258 176 A 104 LEU HD1% A 36 GLN HE2x 1.0 1.55 4.58 259 176 A 104 LEU HD1% A 36 GLN HE2y 1.0 1.55 4.58 260 177 A 36 GLN H A 114 VAL HG2% 1.0 1.55 6.13 261 178 A 101 ARG HA A 36 GLN HE2x 1.0 1.55 4.11 262 178 A 36 GLN HE2y A 101 ARG HA 1.0 1.55 4.11 263 179 A 37 MET HE% A 115 SER H 1.0 1.55 4.47 264 180 A 37 MET HA A 40 ALA HB% 1.0 1.55 4.16 265 181 A 37 MET HE% A 71 TYR HD% 1.0 1.55 5.98 266 182 A 118 PHE HE% A 37 MET HE% 1.0 1.55 8.50 267 183 A 37 MET HE% A 73 LEU HD2% 1.0 1.55 5.23 268 183 A 37 MET HE% A 73 LEU HD1% 1.0 1.55 5.23 269 184 A 37 MET HE% A 111 VAL HG2% 1.0 1.55 6.05 270 185 A 37 MET HE% A 73 LEU H 1.0 1.55 6.82 271 186 A 37 MET HE% A 39 GLU H 1.0 1.55 7.96 272 187 A 37 MET HE% A 72 ASP HA 1.0 1.55 7.52 273 188 A 37 MET HE% A 73 LEU HA 1.0 1.55 6.29 274 189 A 37 MET HE% A 118 PHE HBy 1.0 1.55 5.97 275 189 A 118 PHE HBx A 37 MET HE% 1.0 1.55 5.97 276 190 A 111 VAL HG1% A 37 MET HGx 1.0 1.55 5.37 277 190 A 111 VAL HG1% A 37 MET HGy 1.0 1.55 5.37 278 191 A 37 MET HA A 111 VAL HG2% 1.0 1.55 3.47 279 192 A 37 MET HA A 71 TYR HBx 1.0 1.55 5.81 280 192 A 37 MET HA A 71 TYR HBy 1.0 1.55 5.81 281 193 A 37 MET HE% A 73 LEU HD1% 1.0 1.55 4.93 282 194 A 37 MET HGx A 114 VAL HG2% 1.0 1.55 6.17 283 194 A 37 MET HGy A 114 VAL HG2% 1.0 1.55 6.17 284 194 A 114 VAL HG1% A 37 MET HGx 1.0 1.55 6.17 285 194 A 114 VAL HG1% A 37 MET HGy 1.0 1.55 6.17 286 195 A 118 PHE HD% A 37 MET HE% 1.0 1.55 7.08 287 196 A 37 MET HE% A 40 ALA HB% 1.0 1.55 7.97 288 197 A 37 MET H A 38 ARG H 1.0 1.55 3.13 289 198 A 37 MET H A 41 GLU H 1.0 1.55 5.86 290 199 A 104 LEU HD1% A 37 MET H 1.0 1.55 6.19 291 200 A 37 MET H A 100 PHE HZ 1.0 1.55 6.82 292 201 A 40 ALA H A 37 MET HGx 1.0 1.55 5.99 293 201 A 40 ALA H A 37 MET HGy 1.0 1.55 5.99 294 202 A 37 MET HA A 40 ALA H 1.0 1.55 3.66 295 203 A 71 TYR H A 37 MET HGx 1.0 1.55 7.34 296 203 A 37 MET HGy A 71 TYR H 1.0 1.55 7.34 297 204 A 37 MET HA A 38 ARG H 1.0 1.55 3.27 298 205 A 38 ARG H A 37 MET HBx 1.0 1.55 3.13 299 205 A 38 ARG H A 37 MET HBy 1.0 1.55 3.13 300 206 A 38 ARG H A 39 GLU HBx 1.0 1.55 5.53 301 206 A 38 ARG H A 39 GLU HBy 1.0 1.55 5.53 302 207 A 39 GLU H A 38 ARG HDx 1.0 1.55 4.81 303 207 A 39 GLU H A 38 ARG HDy 1.0 1.55 4.81 304 208 A 39 GLU H A 40 ALA H 1.0 1.55 2.82 305 209 A 104 LEU HD1% A 39 GLU H 1.0 1.55 8.56 306 210 A 40 ALA H A 39 GLU HBx 1.0 1.55 3.42 307 210 A 40 ALA H A 39 GLU HBy 1.0 1.55 3.42 308 211 A 40 ALA H A 39 GLU HA 1.0 1.55 3.49 309 212 A 39 GLU H A 43 GLN HA 1.0 1.55 9.11 310 213 A 41 GLU H A 39 GLU HA 1.0 1.55 5.27 311 214 A 40 ALA HB% A 41 GLU H 1.0 1.55 3.54 312 215 A 40 ALA HB% A 111 VAL HA 1.0 1.55 3.95 313 216 A 40 ALA HB% A 111 VAL HG2% 1.0 1.55 4.89 314 217 A 104 LEU HD1% A 40 ALA HB% 1.0 1.55 7.09 315 218 A 114 VAL H A 40 ALA HB% 1.0 1.55 5.61 316 219 A 40 ALA HB% A 114 VAL HG2% 1.0 1.55 5.41 317 219 A 114 VAL HG1% A 40 ALA HB% 1.0 1.55 5.41 318 220 A 111 VAL HG1% A 40 ALA HB% 1.0 1.55 4.89 319 221 A 104 LEU HD2% A 40 ALA HB% 1.0 1.55 9.69 320 222 A 40 ALA HB% A 112 GLN H 1.0 1.55 5.52 321 223 A 40 ALA HB% A 111 VAL H 1.0 1.55 3.21 322 224 A 40 ALA H A 114 VAL HG2% 1.0 1.55 5.37 323 224 A 114 VAL HG1% A 40 ALA H 1.0 1.55 5.37 324 225 A 43 GLN H A 44 GLN H 1.0 1.55 3.02 325 226 A 44 GLN H A 45 ARG H 1.0 1.55 2.71 326 227 A 45 ARG H A 46 GLU H 1.0 1.55 3.10 327 228 A 46 GLU HA A 49 ASN HD2x 1.0 1.55 3.60 328 228 A 46 GLU HA A 49 ASN HD2y 1.0 1.55 3.60 329 229 A 46 GLU H A 47 ARG H 1.0 1.55 2.93 330 230 A 48 SER H A 47 ARG HDx 1.0 1.55 5.36 331 230 A 47 ARG HDy A 48 SER H 1.0 1.55 5.36 332 231 A 48 SER H A 47 ARG HBx 1.0 1.55 3.53 333 231 A 48 SER H A 47 ARG HBy 1.0 1.55 3.53 334 232 A 48 SER H A 47 ARG HGx 1.0 1.55 4.30 335 232 A 48 SER H A 47 ARG HGy 1.0 1.55 4.30 336 233 A 47 ARG H A 49 ASN HBx 1.0 1.55 6.91 337 233 A 47 ARG H A 49 ASN HBy 1.0 1.55 6.91 338 234 A 48 SER HA A 49 ASN H 1.0 1.55 4.11 339 235 A 48 SER H A 49 ASN HBx 1.0 1.55 5.70 340 235 A 48 SER H A 49 ASN HBy 1.0 1.55 5.70 341 236 A 48 SER H A 49 ASN HD2x 1.0 1.55 4.78 342 236 A 49 ASN HD2y A 48 SER H 1.0 1.55 4.78 343 237 A 48 SER HA A 51 VAL HG2% 1.0 1.55 4.84 344 238 A 50 ALA HB% A 49 ASN HBx 1.0 1.55 5.97 345 238 A 49 ASN HBy A 50 ALA HB% 1.0 1.55 5.97 346 239 A 49 ASN HA A 50 ALA H 1.0 1.55 3.35 347 240 A 50 ALA H A 49 ASN HBx 1.0 1.55 3.61 348 240 A 49 ASN HBy A 50 ALA H 1.0 1.55 3.61 349 241 A 49 ASN H A 50 ALA H 1.0 1.55 4.26 350 242 A 51 VAL H A 49 ASN HBx 1.0 1.55 5.46 351 242 A 49 ASN HBy A 51 VAL H 1.0 1.55 5.46 352 243 A 52 ARG H A 49 ASN HBx 1.0 1.55 4.96 353 243 A 49 ASN HBy A 52 ARG H 1.0 1.55 4.96 354 244 A 49 ASN HD2x A 51 VAL HG2% 1.0 1.55 6.70 355 244 A 51 VAL HG1% A 49 ASN HD2x 1.0 1.55 6.70 356 244 A 49 ASN HD2y A 51 VAL HG1% 1.0 1.55 6.70 357 244 A 49 ASN HD2y A 51 VAL HG2% 1.0 1.55 6.70 358 245 A 50 ALA H A 51 VAL HG2% 1.0 1.55 5.00 359 245 A 50 ALA H A 51 VAL HG1% 1.0 1.55 5.00 360 246 A 50 ALA HB% A 51 VAL HG2% 1.0 1.55 5.21 361 247 A 51 VAL H A 50 ALA HA 1.0 1.55 3.23 362 248 A 50 ALA HB% A 51 VAL H 1.0 1.55 3.73 363 249 A 50 ALA H A 51 VAL H 1.0 1.55 3.21 364 250 A 52 ARG H A 50 ALA HA 1.0 1.55 4.35 365 251 A 52 ARG H A 51 VAL HG2% 1.0 1.55 3.96 366 251 A 52 ARG H A 51 VAL HG1% 1.0 1.55 3.96 367 252 A 52 ARG H A 51 VAL HG2% 1.0 1.55 5.01 368 253 A 52 ARG H A 51 VAL HA 1.0 1.55 3.23 369 254 A 52 ARG H A 51 VAL HB 1.0 1.55 4.10 370 255 A 58 VAL HG2% A 60 TYR HE% 1.0 1.55 6.90 371 256 A 58 VAL HA A 59 ASP H 1.0 1.55 3.24 372 257 A 59 ASP H A 58 VAL H 1.0 1.55 4.32 373 258 A 58 VAL HG1% A 62 TRP HE1 1.0 1.55 8.45 374 259 A 59 ASP H A 58 VAL HG1% 1.0 1.55 4.65 375 260 A 58 VAL HG1% A 60 TYR HD% 1.0 1.55 6.44 376 261 A 60 TYR HE% A 58 VAL HG1% 1.0 1.55 6.73 377 262 A 58 VAL HG2% A 59 ASP H 1.0 1.55 4.39 378 263 A 58 VAL HG2% A 60 TYR HD% 1.0 1.55 7.08 379 264 A 59 ASP HA A 60 TYR H 1.0 1.55 3.30 380 265 A 59 ASP HA A 64 ALA H 1.0 1.55 7.27 381 266 A 60 TYR HD% A 63 LEU HD1% 1.0 1.55 6.86 382 267 A 60 TYR HA A 61 SER H 1.0 1.55 3.99 383 268 A 60 TYR H A 63 LEU HBx 1.0 1.55 5.23 384 268 A 60 TYR H A 63 LEU HBy 1.0 1.55 5.23 385 269 A 62 TRP HE1 A 60 TYR HA 1.0 1.55 5.97 386 270 A 60 TYR HE% A 62 TRP HE1 1.0 1.55 6.07 387 271 A 62 TRP HE1 A 60 TYR HD% 1.0 1.55 4.57 388 272 A 62 TRP HE1 A 60 TYR HBy 1.0 1.55 4.57 389 272 A 62 TRP HE1 A 60 TYR HBx 1.0 1.55 4.57 390 273 A 62 TRP H A 61 SER HBx 1.0 1.55 3.94 391 273 A 61 SER HBy A 62 TRP H 1.0 1.55 3.94 392 274 A 62 TRP H A 61 SER HA 1.0 1.55 3.24 393 275 A 62 TRP H A 63 LEU HBx 1.0 1.55 4.66 394 275 A 63 LEU HBy A 62 TRP H 1.0 1.55 4.66 395 276 A 62 TRP HE1 A 63 LEU HBx 1.0 1.55 6.52 396 276 A 62 TRP HE1 A 63 LEU HBy 1.0 1.55 6.52 397 277 A 62 TRP HE1 A 63 LEU HD2% 1.0 1.55 6.88 398 278 A 63 LEU H A 62 TRP HBx 1.0 1.55 4.16 399 278 A 62 TRP HBy A 63 LEU H 1.0 1.55 4.16 400 279 A 63 LEU H A 62 TRP HA 1.0 1.55 3.23 401 280 A 62 TRP H A 63 LEU H 1.0 1.55 3.24 402 281 A 64 ALA H A 63 LEU HA 1.0 1.55 3.31 403 282 A 63 LEU H A 65 SER HBx 1.0 1.55 5.67 404 282 A 63 LEU H A 65 SER HBy 1.0 1.55 5.67 405 283 A 64 ALA H A 65 SER HBx 1.0 1.55 4.65 406 283 A 64 ALA H A 65 SER HBy 1.0 1.55 4.65 407 284 A 64 ALA HB% A 65 SER H 1.0 1.55 4.11 408 285 A 66 THR H A 65 SER HBx 1.0 1.55 3.80 409 285 A 65 SER HBy A 66 THR H 1.0 1.55 3.80 410 286 A 66 THR H A 65 SER HA 1.0 1.55 3.27 411 287 A 66 THR HG2% A 69 SER H 1.0 1.55 7.12 412 288 A 67 PRO HA A 68 ASP H 1.0 1.55 3.22 413 289 A 69 SER H A 68 ASP HA 1.0 1.55 3.26 414 290 A 69 SER H A 68 ASP H 1.0 1.55 4.17 415 291 A 71 TYR H A 69 SER HBx 1.0 1.55 6.17 416 291 A 71 TYR H A 69 SER HBy 1.0 1.55 6.17 417 292 A 70 THR H A 69 SER HBx 1.0 1.55 3.43 418 292 A 69 SER HBy A 70 THR H 1.0 1.55 3.43 419 293 A 69 SER H A 70 THR H 1.0 1.55 4.29 420 294 A 70 THR H A 69 SER HA 1.0 1.55 2.41 421 295 A 71 TYR H A 70 THR HA 1.0 1.55 2.56 422 296 A 71 TYR H A 70 THR HB 1.0 1.55 4.00 423 297 A 71 TYR H A 70 THR HG2% 1.0 1.55 3.65 424 298 A 71 TYR H A 70 THR H 1.0 1.55 4.19 425 299 A 71 TYR HA A 72 ASP H 1.0 1.55 2.34 426 300 A 72 ASP H A 71 TYR HBx 1.0 1.55 3.66 427 300 A 71 TYR HBy A 72 ASP H 1.0 1.55 3.66 428 301 A 71 TYR H A 72 ASP H 1.0 1.55 4.30 429 302 A 71 TYR HD% A 72 ASP H 1.0 1.55 4.29 430 303 A 72 ASP H A 71 TYR HE% 1.0 1.55 6.26 431 304 A 71 TYR HD% A 111 VAL H 1.0 1.55 7.40 432 305 A 73 LEU HD1% A 71 TYR H 1.0 1.55 8.71 433 306 A 71 TYR HD% A 73 LEU H 1.0 1.55 6.03 434 307 A 111 VAL HG1% A 71 TYR HBx 1.0 1.55 5.75 435 307 A 111 VAL HG1% A 71 TYR HBy 1.0 1.55 5.75 436 308 A 111 VAL HG1% A 71 TYR HD% 1.0 1.55 5.08 437 309 A 111 VAL HG1% A 71 TYR HE% 1.0 1.55 5.48 438 310 A 71 TYR HE% A 112 GLN HA 1.0 1.55 8.08 439 311 A 111 VAL HG2% A 71 TYR HBx 1.0 1.55 4.99 440 311 A 111 VAL HG2% A 71 TYR HBy 1.0 1.55 4.99 441 312 A 73 LEU HD1% A 72 ASP H 1.0 1.55 5.75 442 313 A 72 ASP H A 73 LEU HBx 1.0 1.55 6.35 443 313 A 72 ASP H A 73 LEU HBy 1.0 1.55 6.35 444 314 A 73 LEU HD1% A 72 ASP HA 1.0 1.55 5.47 445 315 A 73 LEU HD1% A 72 ASP HBx 1.0 1.55 6.85 446 315 A 73 LEU HD1% A 72 ASP HBy 1.0 1.55 6.85 447 316 A 73 LEU H A 72 ASP HA 1.0 1.55 2.50 448 317 A 73 LEU H A 72 ASP HBy 1.0 1.55 4.00 449 317 A 73 LEU H A 72 ASP HBx 1.0 1.55 4.00 450 318 A 74 SER H A 73 LEU HD2% 1.0 1.55 5.50 451 319 A 118 PHE HE% A 73 LEU HD2% 1.0 1.55 4.75 452 320 A 118 PHE HD% A 73 LEU HD2% 1.0 1.55 8.62 453 321 A 118 PHE HD% A 73 LEU HD1% 1.0 1.55 4.75 454 322 A 74 SER H A 73 LEU HG 1.0 1.55 5.51 455 323 A 74 SER H A 73 LEU HBx 1.0 1.55 3.83 456 323 A 73 LEU HBy A 74 SER H 1.0 1.55 3.83 457 324 A 74 SER H A 73 LEU HD2% 1.0 1.55 5.19 458 324 A 73 LEU HD1% A 74 SER H 1.0 1.55 5.19 459 325 A 73 LEU HA A 74 SER H 1.0 1.55 3.07 460 326 A 73 LEU HA A 77 GLU H 1.0 1.55 6.69 461 327 A 78 ARG H A 73 LEU HBx 1.0 1.55 5.38 462 327 A 73 LEU HBy A 78 ARG H 1.0 1.55 5.38 463 328 A 78 ARG H A 73 LEU HD2% 1.0 1.55 5.51 464 328 A 73 LEU HD1% A 78 ARG H 1.0 1.55 5.51 465 329 A 73 LEU HD1% A 74 SER H 1.0 1.55 5.34 466 330 A 74 SER H A 77 GLU H 1.0 1.55 3.98 467 331 A 74 SER H A 75 PRO HBx 1.0 1.55 6.80 468 331 A 74 SER H A 75 PRO HBy 1.0 1.55 6.80 469 332 A 75 PRO HA A 76 ILE H 1.0 1.55 3.39 470 333 A 78 ARG H A 75 PRO HA 1.0 1.55 4.25 471 334 A 77 GLU H A 76 ILE HB 1.0 1.55 3.69 472 335 A 76 ILE HD1% A 80 GLN HE2x 1.0 1.55 3.62 473 335 A 76 ILE HD1% A 80 GLN HE2y 1.0 1.55 3.62 474 336 A 76 ILE HG1y A 80 GLN HE2x 1.0 1.55 4.00 475 336 A 76 ILE HG1x A 80 GLN HE2x 1.0 1.55 4.00 476 336 A 80 GLN HE2y A 76 ILE HG1y 1.0 1.55 4.00 477 336 A 80 GLN HE2y A 76 ILE HG1x 1.0 1.55 4.00 478 337 A 76 ILE HG2% A 80 GLN HE2x 1.0 1.55 5.29 479 337 A 80 GLN HE2y A 76 ILE HG2% 1.0 1.55 5.29 480 338 A 76 ILE HG2% A 77 GLU HBx 1.0 1.55 5.46 481 338 A 76 ILE HG2% A 77 GLU HBy 1.0 1.55 5.46 482 339 A 78 ARG H A 76 ILE H 1.0 1.55 4.29 483 340 A 76 ILE H A 77 GLU HBx 1.0 1.55 5.36 484 340 A 76 ILE H A 77 GLU HBy 1.0 1.55 5.36 485 341 A 78 ARG H A 77 GLU HA 1.0 1.55 3.42 486 342 A 77 GLU H A 80 GLN H 1.0 1.55 4.60 487 343 A 77 GLU H A 78 ARG H 1.0 1.55 3.11 488 344 A 78 ARG HA A 79 LEU H 1.0 1.55 3.38 489 345 A 78 ARG H A 80 GLN H 1.0 1.55 4.34 490 346 A 80 GLN H A 78 ARG HGx 1.0 1.55 5.97 491 346 A 80 GLN H A 78 ARG HGy 1.0 1.55 5.97 492 347 A 82 GLU H A 78 ARG HDy 1.0 1.55 3.93 493 347 A 82 GLU H A 78 ARG HDx 1.0 1.55 3.93 494 348 A 82 GLU H A 78 ARG HGx 1.0 1.55 5.45 495 348 A 82 GLU H A 78 ARG HGy 1.0 1.55 5.45 496 349 A 83 ASP H A 78 ARG HGx 1.0 1.55 6.98 497 349 A 78 ARG HGy A 83 ASP H 1.0 1.55 6.98 498 350 A 81 LEU H A 78 ARG HGx 1.0 1.55 6.12 499 350 A 81 LEU H A 78 ARG HGy 1.0 1.55 6.12 500 351 A 78 ARG H A 79 LEU H 1.0 1.55 2.98 501 352 A 79 LEU H A 78 ARG HGx 1.0 1.55 4.05 502 352 A 79 LEU H A 78 ARG HGy 1.0 1.55 4.05 503 353 A 79 LEU H A 81 LEU HBx 1.0 1.55 5.80 504 353 A 79 LEU H A 81 LEU HBy 1.0 1.55 5.80 505 354 A 80 GLN H A 79 LEU HD2% 1.0 1.55 4.52 506 355 A 80 GLN H A 79 LEU HG 1.0 1.55 4.14 507 356 A 81 LEU H A 80 GLN HBx 1.0 1.55 3.17 508 356 A 81 LEU H A 80 GLN HBy 1.0 1.55 3.17 509 357 A 82 GLU H A 80 GLN H 1.0 1.55 4.07 510 358 A 83 ASP H A 80 GLN HBx 1.0 1.55 5.35 511 358 A 83 ASP H A 80 GLN HBy 1.0 1.55 5.35 512 359 A 81 LEU H A 80 GLN H 1.0 1.55 3.00 513 360 A 81 LEU H A 82 GLU HA 1.0 1.55 5.00 514 361 A 118 PHE HD% A 81 LEU HD2% 1.0 1.55 4.18 515 361 A 118 PHE HD% A 81 LEU HD1% 1.0 1.55 4.18 516 362 A 118 PHE HE% A 81 LEU HD2% 1.0 1.55 5.38 517 362 A 118 PHE HE% A 81 LEU HD1% 1.0 1.55 5.38 518 363 A 81 LEU HA A 122 LEU HD2% 1.0 1.55 8.01 519 364 A 85 CYS H A 81 LEU HD2% 1.0 1.55 5.28 520 364 A 81 LEU HD1% A 85 CYS H 1.0 1.55 5.28 521 365 A 84 VAL H A 81 LEU HD2% 1.0 1.55 5.27 522 365 A 81 LEU HD1% A 84 VAL H 1.0 1.55 5.27 523 366 A 81 LEU HD1% A 85 CYS HBy 1.0 1.55 5.78 524 366 A 81 LEU HD2% A 85 CYS HBy 1.0 1.55 5.78 525 366 A 85 CYS HBx A 81 LEU HD2% 1.0 1.55 5.78 526 366 A 85 CYS HBx A 81 LEU HD1% 1.0 1.55 5.78 527 367 A 118 PHE HA A 81 LEU HD2% 1.0 1.55 5.76 528 367 A 81 LEU HD1% A 118 PHE HA 1.0 1.55 5.76 529 368 A 122 LEU HD1% A 81 LEU HD2% 1.0 1.55 5.13 530 368 A 81 LEU HD1% A 122 LEU HD1% 1.0 1.55 5.13 531 369 A 81 LEU HA A 122 LEU HD1% 1.0 1.55 5.62 532 370 A 82 GLU H A 81 LEU H 1.0 1.55 3.19 533 371 A 82 GLU H A 81 LEU HD2% 1.0 1.55 5.35 534 371 A 82 GLU H A 81 LEU HD1% 1.0 1.55 5.35 535 372 A 82 GLU H A 83 ASP H 1.0 1.55 2.98 536 373 A 86 VAL H A 82 GLU HBx 1.0 1.55 5.37 537 373 A 86 VAL H A 82 GLU HBy 1.0 1.55 5.37 538 374 A 86 VAL HG2% A 82 GLU HA 1.0 1.55 6.82 539 375 A 86 VAL HG1% A 83 ASP HA 1.0 1.55 4.33 540 376 A 83 ASP H A 84 VAL H 1.0 1.55 2.94 541 377 A 86 VAL H A 83 ASP HA 1.0 1.55 3.89 542 378 A 84 VAL H A 83 ASP HBy 1.0 1.55 2.94 543 378 A 84 VAL H A 83 ASP HBx 1.0 1.55 2.94 544 379 A 84 VAL H A 83 ASP HA 1.0 1.55 3.33 545 380 A 85 CYS H A 83 ASP H 1.0 1.55 4.35 546 381 A 83 ASP H A 84 VAL HB 1.0 1.55 6.04 547 382 A 83 ASP H A 84 VAL HG2% 1.0 1.55 6.92 548 383 A 86 VAL HG2% A 83 ASP HA 1.0 1.55 4.95 549 384 A 84 VAL HA A 83 ASP HBy 1.0 1.55 4.50 550 384 A 83 ASP HBx A 84 VAL HA 1.0 1.55 4.50 551 385 A 85 CYS H A 84 VAL H 1.0 1.55 2.90 552 386 A 84 VAL HG2% A 123 GLN H 1.0 1.55 6.76 553 387 A 84 VAL H A 88 ILE HD1% 1.0 1.55 7.25 554 388 A 84 VAL H A 122 LEU HD1% 1.0 1.55 5.72 555 389 A 84 VAL H A 119 ARG HGx 1.0 1.55 8.66 556 389 A 84 VAL H A 119 ARG HGy 1.0 1.55 8.66 557 390 A 84 VAL H A 85 CYS HBy 1.0 1.55 5.67 558 390 A 85 CYS HBx A 84 VAL H 1.0 1.55 5.67 559 391 A 123 GLN H A 84 VAL HG1% 1.0 1.55 6.49 560 392 A 84 VAL HG2% A 122 LEU HD1% 1.0 1.55 5.24 561 393 A 85 CYS H A 84 VAL HG2% 1.0 1.55 4.68 562 394 A 84 VAL HB A 122 LEU HD1% 1.0 1.55 4.86 563 395 A 84 VAL HG1% A 123 GLN HBx 1.0 1.55 8.56 564 395 A 84 VAL HG1% A 123 GLN HBy 1.0 1.55 8.56 565 396 A 84 VAL HG1% A 122 LEU HBy 1.0 1.55 4.16 566 396 A 84 VAL HG1% A 122 LEU HBx 1.0 1.55 4.16 567 397 A 84 VAL HG2% A 126 LEU HA 1.0 1.55 7.55 568 398 A 84 VAL HG2% A 88 ILE HD1% 1.0 1.55 7.20 569 399 A 84 VAL HG2% A 88 ILE HG2% 1.0 1.55 9.01 570 400 A 84 VAL HG1% A 85 CYS HBy 1.0 1.55 6.78 571 400 A 85 CYS HBx A 84 VAL HG1% 1.0 1.55 6.78 572 401 A 84 VAL HG2% A 122 LEU HBy 1.0 1.55 5.70 573 401 A 84 VAL HG2% A 122 LEU HBx 1.0 1.55 5.70 574 402 A 84 VAL HG2% A 129 MET HE% 1.0 1.55 9.33 575 403 A 85 CYS H A 122 LEU HD2% 1.0 1.55 5.08 576 403 A 85 CYS H A 122 LEU HD1% 1.0 1.55 5.08 577 404 A 85 CYS H A 88 ILE HD1% 1.0 1.55 5.06 578 405 A 88 ILE H A 85 CYS HBy 1.0 1.55 5.00 579 405 A 88 ILE H A 85 CYS HBx 1.0 1.55 5.00 580 406 A 85 CYS HBx A 122 LEU HD2% 1.0 1.55 6.56 581 406 A 85 CYS HBy A 122 LEU HD2% 1.0 1.55 6.56 582 407 A 85 CYS HBx A 122 LEU HD1% 1.0 1.55 5.04 583 407 A 122 LEU HD1% A 85 CYS HBy 1.0 1.55 5.04 584 408 A 86 VAL H A 85 CYS H 1.0 1.55 3.27 585 409 A 86 VAL H A 85 CYS HBy 1.0 1.55 3.67 586 409 A 86 VAL H A 85 CYS HBx 1.0 1.55 3.67 587 410 A 86 VAL H A 87 LYS H 1.0 1.55 3.12 588 411 A 86 VAL H A 87 LYS HBx 1.0 1.55 5.14 589 411 A 86 VAL H A 87 LYS HBy 1.0 1.55 5.14 590 412 A 86 VAL H A 122 LEU HD1% 1.0 1.55 6.76 591 413 A 86 VAL H A 88 ILE HD1% 1.0 1.55 6.44 592 414 A 88 ILE H A 87 LYS H 1.0 1.55 3.00 593 415 A 88 ILE H A 87 LYS HA 1.0 1.55 3.39 594 416 A 88 ILE HG2% A 87 LYS H 1.0 1.55 6.51 595 417 A 87 LYS HA A 89 HIS H 1.0 1.55 6.37 596 418 A 88 ILE HG2% A 92 TYR HBx 1.0 1.55 5.07 597 418 A 88 ILE HG2% A 92 TYR HBy 1.0 1.55 5.07 598 419 A 88 ILE HG2% A 93 CYS HBy 1.0 1.55 5.09 599 419 A 93 CYS HBx A 88 ILE HG2% 1.0 1.55 5.09 600 420 A 93 CYS H A 88 ILE HG2% 1.0 1.55 5.41 601 421 A 88 ILE HG2% A 92 TYR H 1.0 1.55 6.46 602 422 A 129 MET HE% A 88 ILE HG1y 1.0 1.55 5.21 603 422 A 129 MET HE% A 88 ILE HG1x 1.0 1.55 5.21 604 423 A 88 ILE HD1% A 92 TYR H 1.0 1.55 6.88 605 424 A 88 ILE HD1% A 126 LEU HG 1.0 1.55 6.81 606 425 A 88 ILE HD1% A 122 LEU HD2% 1.0 1.55 3.20 607 425 A 88 ILE HD1% A 122 LEU HD1% 1.0 1.55 3.20 608 426 A 93 CYS H A 88 ILE HD1% 1.0 1.55 5.50 609 427 A 88 ILE HA A 125 VAL HG1% 1.0 1.55 7.21 610 428 A 88 ILE HD1% A 125 VAL HG1% 1.0 1.55 5.30 611 429 A 88 ILE HG2% A 92 TYR HE% 1.0 1.55 6.88 612 430 A 88 ILE HD1% A 92 TYR HBx 1.0 1.55 6.68 613 430 A 88 ILE HD1% A 92 TYR HBy 1.0 1.55 6.68 614 431 A 88 ILE HG2% A 122 LEU HD2% 1.0 1.55 5.86 615 431 A 88 ILE HG2% A 122 LEU HD1% 1.0 1.55 5.86 616 432 A 88 ILE HD1% A 96 ALA HB% 1.0 1.55 6.18 617 433 A 88 ILE HD1% A 125 VAL HG2% 1.0 1.55 7.79 618 434 A 88 ILE HD1% A 129 MET HE% 1.0 1.55 4.98 619 435 A 88 ILE HA A 92 TYR HD% 1.0 1.55 6.56 620 436 A 89 HIS H A 88 ILE HA 1.0 1.55 2.88 621 437 A 88 ILE HD1% A 126 LEU H 1.0 1.55 6.58 622 438 A 88 ILE HD1% A 89 HIS H 1.0 1.55 4.82 623 439 A 88 ILE HG2% A 89 HIS H 1.0 1.55 4.12 624 440 A 88 ILE H A 93 CYS HBy 1.0 1.55 6.78 625 440 A 88 ILE H A 93 CYS HBx 1.0 1.55 6.78 626 441 A 88 ILE H A 129 MET HBx 1.0 1.55 8.71 627 441 A 88 ILE H A 129 MET HBy 1.0 1.55 8.71 628 442 A 88 ILE H A 122 LEU HD2% 1.0 1.55 6.92 629 442 A 88 ILE H A 122 LEU HD1% 1.0 1.55 6.92 630 443 A 88 ILE H A 89 HIS HA 1.0 1.55 5.44 631 444 A 89 HIS H A 88 ILE HG1y 1.0 1.55 4.17 632 444 A 89 HIS H A 88 ILE HG1x 1.0 1.55 4.17 633 445 A 88 ILE HD1% A 122 LEU HD2% 1.0 1.55 4.52 634 446 A 88 ILE H A 122 LEU HD2% 1.0 1.55 8.46 635 447 A 88 ILE H A 122 LEU HD1% 1.0 1.55 6.70 636 448 A 88 ILE HD1% A 122 LEU HD1% 1.0 1.55 3.75 637 449 A 88 ILE HG2% A 129 MET HE% 1.0 1.55 5.14 638 450 A 129 MET HE% A 88 ILE HA 1.0 1.55 3.42 639 451 A 88 ILE HD1% A 92 TYR HD% 1.0 1.55 6.18 640 452 A 88 ILE HG2% A 92 TYR HD% 1.0 1.55 5.52 641 453 A 88 ILE HG2% A 93 CYS HA 1.0 1.55 5.50 642 454 A 89 HIS H A 93 CYS HBy 1.0 1.55 5.56 643 454 A 93 CYS HBx A 89 HIS H 1.0 1.55 5.56 644 455 A 89 HIS H A 129 MET HBx 1.0 1.55 6.18 645 455 A 89 HIS H A 129 MET HBy 1.0 1.55 6.18 646 456 A 129 MET HE% A 89 HIS HA 1.0 1.55 6.06 647 457 A 89 HIS H A 92 TYR HE% 1.0 1.55 6.75 648 458 A 92 TYR H A 91 SER H 1.0 1.55 4.37 649 459 A 93 CYS H A 92 TYR HE% 1.0 1.55 6.54 650 460 A 92 TYR HE% A 96 ALA H 1.0 1.55 8.16 651 461 A 92 TYR HA A 94 GLY H 1.0 1.55 4.88 652 462 A 129 MET HE% A 92 TYR HE% 1.0 1.55 5.99 653 463 A 129 MET HE% A 92 TYR HD% 1.0 1.55 5.14 654 464 A 129 MET HE% A 92 TYR HBx 1.0 1.55 4.95 655 464 A 129 MET HE% A 92 TYR HBy 1.0 1.55 4.95 656 465 A 92 TYR H A 96 ALA HB% 1.0 1.55 6.68 657 466 A 93 CYS H A 92 TYR H 1.0 1.55 2.93 658 467 A 93 CYS H A 92 TYR HA 1.0 1.55 3.41 659 468 A 92 TYR HE% A 129 MET H 1.0 1.55 8.96 660 469 A 92 TYR HD% A 129 MET H 1.0 1.55 8.56 661 470 A 92 TYR HD% A 96 ALA H 1.0 1.55 5.92 662 471 A 92 TYR H A 93 CYS HBy 1.0 1.55 5.15 663 471 A 93 CYS HBx A 92 TYR H 1.0 1.55 5.15 664 472 A 93 CYS H A 94 GLY H 1.0 1.55 3.31 665 473 A 93 CYS HA A 94 GLY H 1.0 1.55 3.34 666 474 A 94 GLY H A 93 CYS HBy 1.0 1.55 3.73 667 474 A 93 CYS HBx A 94 GLY H 1.0 1.55 3.73 668 475 A 96 ALA H A 93 CYS HBy 1.0 1.55 6.36 669 475 A 93 CYS HBx A 96 ALA H 1.0 1.55 6.36 670 476 A 93 CYS H A 96 ALA HB% 1.0 1.55 5.09 671 477 A 96 ALA HB% A 94 GLY H 1.0 1.55 5.57 672 478 A 94 GLY H A 97 ILE H 1.0 1.55 4.63 673 479 A 94 GLY H A 97 ILE HB 1.0 1.55 5.41 674 480 A 100 PHE HD% A 96 ALA HB% 1.0 1.55 6.20 675 481 A 100 PHE HE% A 96 ALA HB% 1.0 1.55 8.03 676 482 A 96 ALA H A 97 ILE HB 1.0 1.55 5.06 677 483 A 96 ALA H A 97 ILE HA 1.0 1.55 5.27 678 484 A 96 ALA HB% A 97 ILE H 1.0 1.55 3.47 679 485 A 96 ALA HA A 98 LEU H 1.0 1.55 4.76 680 486 A 96 ALA HB% A 122 LEU HD2% 1.0 1.55 4.09 681 487 A 96 ALA HB% A 97 ILE HA 1.0 1.55 4.42 682 488 A 97 ILE HD1% A 96 ALA HB% 1.0 1.55 4.20 683 489 A 96 ALA HB% A 125 VAL HG2% 1.0 1.55 3.50 684 490 A 97 ILE HB A 98 LEU H 1.0 1.55 3.05 685 491 A 97 ILE HA A 98 LEU H 1.0 1.55 3.26 686 492 A 118 PHE HE% A 97 ILE HD1% 1.0 1.55 5.68 687 493 A 97 ILE HG2% A 101 ARG HE 1.0 1.55 4.88 688 494 A 97 ILE HB A 98 LEU HD1% 1.0 1.55 5.25 689 494 A 97 ILE HB A 98 LEU HD2% 1.0 1.55 5.25 690 495 A 98 LEU HD2% A 102 GLN HE2x 1.0 1.55 5.81 691 495 A 102 GLN HE2y A 98 LEU HD1% 1.0 1.55 5.81 692 495 A 98 LEU HD2% A 102 GLN HE2y 1.0 1.55 5.81 693 495 A 98 LEU HD1% A 102 GLN HE2x 1.0 1.55 5.81 694 496 A 99 ARG H A 98 LEU HD1% 1.0 1.55 5.20 695 496 A 98 LEU HD2% A 99 ARG H 1.0 1.55 5.20 696 497 A 99 ARG H A 105 ALA HB% 1.0 1.55 9.67 697 498 A 104 LEU HD1% A 100 PHE HE% 1.0 1.55 5.44 698 499 A 104 LEU HD1% A 100 PHE HZ 1.0 1.55 5.30 699 500 A 104 LEU HD1% A 100 PHE HBx 1.0 1.55 7.80 700 500 A 100 PHE HBy A 104 LEU HD1% 1.0 1.55 7.80 701 501 A 104 LEU HD2% A 100 PHE HE% 1.0 1.55 6.50 702 502 A 100 PHE HD% A 104 LEU HD2% 1.0 1.55 6.50 703 503 A 104 LEU HD2% A 100 PHE HBx 1.0 1.55 7.98 704 503 A 100 PHE HBy A 104 LEU HD2% 1.0 1.55 7.98 705 504 A 104 LEU HD2% A 100 PHE HZ 1.0 1.55 6.82 706 505 A 118 PHE H A 100 PHE HZ 1.0 1.55 3.68 707 506 A 117 LEU H A 100 PHE HZ 1.0 1.55 5.61 708 507 A 104 LEU H A 100 PHE HBx 1.0 1.55 5.51 709 507 A 100 PHE HBy A 104 LEU H 1.0 1.55 5.51 710 508 A 100 PHE HE% A 103 LEU H 1.0 1.55 6.77 711 509 A 104 LEU HD1% A 100 PHE HA 1.0 1.55 7.02 712 510 A 101 ARG HA A 103 LEU HD1% 1.0 1.55 8.31 713 510 A 103 LEU HD2% A 101 ARG HA 1.0 1.55 8.31 714 511 A 105 ALA HB% A 103 LEU H 1.0 1.55 4.67 715 512 A 105 ALA H A 103 LEU HD1% 1.0 1.55 5.95 716 512 A 103 LEU HD2% A 105 ALA H 1.0 1.55 5.95 717 513 A 103 LEU H A 106 GLU HBx 1.0 1.55 5.67 718 513 A 103 LEU H A 106 GLU HBy 1.0 1.55 5.67 719 514 A 104 LEU HD2% A 103 LEU H 1.0 1.55 5.92 720 515 A 106 GLU H A 103 LEU HD1% 1.0 1.55 6.18 721 515 A 103 LEU HD2% A 106 GLU H 1.0 1.55 6.18 722 516 A 107 GLN H A 103 LEU HD1% 1.0 1.55 6.14 723 516 A 103 LEU HD2% A 107 GLN H 1.0 1.55 6.14 724 517 A 103 LEU HD1% A 107 GLN HE2x 1.0 1.55 5.52 725 517 A 107 GLN HE2y A 103 LEU HD1% 1.0 1.55 5.52 726 517 A 103 LEU HD2% A 107 GLN HE2y 1.0 1.55 5.52 727 517 A 103 LEU HD2% A 107 GLN HE2x 1.0 1.55 5.52 728 518 A 104 LEU HD1% A 103 LEU HA 1.0 1.55 7.38 729 519 A 104 LEU HD1% A 103 LEU H 1.0 1.55 6.55 730 520 A 104 LEU H A 103 LEU H 1.0 1.55 3.87 731 521 A 104 LEU HD1% A 105 ALA H 1.0 1.55 4.64 732 522 A 104 LEU HD2% A 105 ALA H 1.0 1.55 3.60 733 523 A 104 LEU HD1% A 106 GLU H 1.0 1.55 6.71 734 524 A 104 LEU HD1% A 108 GLU H 1.0 1.55 7.44 735 525 A 118 PHE H A 104 LEU HBy 1.0 1.55 7.38 736 525 A 118 PHE H A 104 LEU HBx 1.0 1.55 7.38 737 526 A 105 ALA H A 104 LEU HG 1.0 1.55 4.08 738 527 A 104 LEU HD1% A 118 PHE H 1.0 1.55 7.25 739 528 A 118 PHE H A 104 LEU HG 1.0 1.55 7.96 740 529 A 104 LEU H A 106 GLU HGx 1.0 1.55 6.85 741 529 A 104 LEU H A 106 GLU HGy 1.0 1.55 6.85 742 530 A 104 LEU HD2% A 106 GLU H 1.0 1.55 5.44 743 531 A 106 GLU H A 104 LEU HG 1.0 1.55 6.23 744 532 A 104 LEU HD2% A 107 GLN H 1.0 1.55 6.27 745 533 A 104 LEU HD1% A 107 GLN H 1.0 1.55 7.52 746 534 A 104 LEU H A 106 GLU H 1.0 1.55 3.86 747 535 A 104 LEU HD2% A 107 GLN HE2x 1.0 1.55 6.81 748 535 A 104 LEU HD2% A 107 GLN HE2y 1.0 1.55 6.81 749 536 A 104 LEU HD1% A 107 GLN HE2x 1.0 1.55 7.33 750 536 A 104 LEU HD1% A 107 GLN HE2y 1.0 1.55 7.33 751 537 A 104 LEU HD1% A 111 VAL HG2% 1.0 1.55 9.70 752 538 A 104 LEU HD1% A 105 ALA HB% 1.0 1.55 6.51 753 539 A 104 LEU HD2% A 111 VAL HG2% 1.0 1.55 9.44 754 540 A 104 LEU HD1% A 114 VAL HG2% 1.0 1.55 5.30 755 541 A 104 LEU HD2% A 114 VAL HG2% 1.0 1.55 5.71 756 542 A 105 ALA HB% A 104 LEU HG 1.0 1.55 5.64 757 543 A 104 LEU HD1% A 117 LEU HD2% 1.0 1.55 7.62 758 544 A 104 LEU HD1% A 114 VAL HG2% 1.0 1.55 4.61 759 544 A 104 LEU HD1% A 114 VAL HG1% 1.0 1.55 4.61 760 545 A 104 LEU HBx A 114 VAL HG2% 1.0 1.55 4.56 761 545 A 104 LEU HBy A 114 VAL HG2% 1.0 1.55 4.56 762 545 A 114 VAL HG1% A 104 LEU HBy 1.0 1.55 4.56 763 545 A 114 VAL HG1% A 104 LEU HBx 1.0 1.55 4.56 764 546 A 104 LEU HD2% A 105 ALA HB% 1.0 1.55 4.67 765 547 A 104 LEU HD2% A 105 ALA HA 1.0 1.55 4.20 766 548 A 104 LEU H A 105 ALA H 1.0 1.55 3.08 767 549 A 104 LEU H A 105 ALA HA 1.0 1.55 5.13 768 550 A 105 ALA HB% A 104 LEU H 1.0 1.55 4.89 769 551 A 104 LEU HD2% A 108 GLU H 1.0 1.55 6.50 770 552 A 105 ALA HB% A 107 GLN H 1.0 1.55 5.05 771 553 A 105 ALA HB% A 107 GLN HE2x 1.0 1.55 5.89 772 553 A 105 ALA HB% A 107 GLN HE2y 1.0 1.55 5.89 773 554 A 105 ALA HB% A 106 GLU HBx 1.0 1.55 5.33 774 554 A 105 ALA HB% A 106 GLU HBy 1.0 1.55 5.33 775 555 A 105 ALA HB% A 106 GLU HGx 1.0 1.55 6.11 776 555 A 105 ALA HB% A 106 GLU HGy 1.0 1.55 6.11 777 556 A 105 ALA H A 107 GLN H 1.0 1.55 3.82 778 557 A 105 ALA H A 106 GLU H 1.0 1.55 2.84 779 558 A 106 GLU H A 105 ALA HA 1.0 1.55 3.22 780 559 A 105 ALA HB% A 106 GLU H 1.0 1.55 2.83 781 560 A 105 ALA HB% A 108 GLU H 1.0 1.55 5.74 782 561 A 105 ALA H A 106 GLU HBx 1.0 1.55 4.79 783 561 A 105 ALA H A 106 GLU HBy 1.0 1.55 4.79 784 562 A 106 GLU HA A 107 GLN HE2x 1.0 1.55 5.77 785 562 A 107 GLN HE2y A 106 GLU HA 1.0 1.55 5.77 786 563 A 106 GLU HBx A 107 GLN HE2x 1.0 1.55 5.19 787 563 A 106 GLU HBy A 107 GLN HE2x 1.0 1.55 5.19 788 563 A 107 GLN HE2y A 106 GLU HBx 1.0 1.55 5.19 789 563 A 106 GLU HBy A 107 GLN HE2y 1.0 1.55 5.19 790 564 A 106 GLU H A 107 GLN H 1.0 1.55 2.77 791 565 A 107 GLN H A 106 GLU HA 1.0 1.55 3.28 792 566 A 107 GLN H A 106 GLU HBx 1.0 1.55 3.38 793 566 A 106 GLU HBy A 107 GLN H 1.0 1.55 3.38 794 567 A 106 GLU H A 108 GLU H 1.0 1.55 3.99 795 568 A 106 GLU H A 107 GLN HBx 1.0 1.55 5.75 796 568 A 106 GLU H A 107 GLN HBy 1.0 1.55 5.75 797 569 A 106 GLU H A 107 GLN HE2x 1.0 1.55 4.20 798 569 A 106 GLU H A 107 GLN HE2y 1.0 1.55 4.20 799 570 A 108 GLU H A 107 GLN HE2x 1.0 1.55 4.95 800 570 A 107 GLN HE2y A 108 GLU H 1.0 1.55 4.95 801 571 A 108 GLU H A 107 GLN HA 1.0 1.55 3.36 802 572 A 108 GLU H A 117 LEU HD2% 1.0 1.55 7.12 803 573 A 108 GLU H A 109 PRO HGx 1.0 1.55 5.94 804 573 A 108 GLU H A 109 PRO HGy 1.0 1.55 5.94 805 574 A 108 GLU H A 109 PRO HDx 1.0 1.55 4.43 806 574 A 108 GLU H A 109 PRO HDy 1.0 1.55 4.43 807 575 A 110 GLU H A 109 PRO HDx 1.0 1.55 5.29 808 575 A 109 PRO HDy A 110 GLU H 1.0 1.55 5.29 809 576 A 110 GLU H A 109 PRO HA 1.0 1.55 2.64 810 577 A 111 VAL HG2% A 110 GLU H 1.0 1.55 6.13 811 578 A 111 VAL HG2% A 110 GLU HA 1.0 1.55 6.02 812 579 A 110 GLU H A 113 GLU H 1.0 1.55 4.42 813 580 A 110 GLU H A 114 VAL HG2% 1.0 1.55 3.17 814 581 A 114 VAL HG1% A 110 GLU H 1.0 1.55 6.09 815 582 A 111 VAL H A 110 GLU HA 1.0 1.55 2.78 816 583 A 111 VAL H A 110 GLU HGx 1.0 1.55 4.66 817 583 A 111 VAL H A 110 GLU HGy 1.0 1.55 4.66 818 584 A 114 VAL H A 110 GLU H 1.0 1.55 4.19 819 585 A 112 GLN H A 110 GLU HA 1.0 1.55 4.01 820 586 A 112 GLN H A 110 GLU H 1.0 1.55 5.34 821 587 A 111 VAL HG1% A 110 GLU HA 1.0 1.55 4.15 822 588 A 110 GLU H A 114 VAL HG2% 1.0 1.55 4.21 823 588 A 114 VAL HG1% A 110 GLU H 1.0 1.55 4.21 824 589 A 111 VAL HG1% A 110 GLU H 1.0 1.55 5.73 825 590 A 111 VAL HG1% A 113 GLU HA 1.0 1.55 8.06 826 591 A 114 VAL H A 111 VAL HG2% 1.0 1.55 4.97 827 592 A 111 VAL HA A 114 VAL HG2% 1.0 1.55 3.15 828 592 A 114 VAL HG1% A 111 VAL HA 1.0 1.55 3.15 829 593 A 111 VAL H A 114 VAL HG2% 1.0 1.55 5.33 830 593 A 114 VAL HG1% A 111 VAL H 1.0 1.55 5.33 831 594 A 115 SER H A 111 VAL HG2% 1.0 1.55 5.54 832 595 A 111 VAL HG2% A 114 VAL HB 1.0 1.55 3.87 833 596 A 111 VAL HG1% A 114 VAL HB 1.0 1.55 5.57 834 597 A 111 VAL HG1% A 115 SER H 1.0 1.55 6.29 835 598 A 111 VAL HA A 112 GLN H 1.0 1.55 3.45 836 599 A 112 GLN H A 111 VAL HB 1.0 1.55 3.52 837 600 A 111 VAL HG1% A 112 GLN HE2x 1.0 1.55 5.41 838 600 A 111 VAL HG1% A 112 GLN HE2y 1.0 1.55 5.41 839 601 A 111 VAL HG2% A 112 GLN H 1.0 1.55 4.70 840 602 A 111 VAL HG1% A 112 GLN H 1.0 1.55 3.85 841 603 A 111 VAL HG1% A 114 VAL H 1.0 1.55 5.30 842 604 A 112 GLN H A 113 GLU H 1.0 1.55 3.05 843 605 A 114 VAL H A 112 GLN H 1.0 1.55 3.82 844 606 A 112 GLN H A 113 GLU HA 1.0 1.55 5.11 845 607 A 114 VAL H A 112 GLN HA 1.0 1.55 4.35 846 608 A 112 GLN H A 116 GLN HE2x 1.0 1.55 7.81 847 608 A 112 GLN H A 116 GLN HE2y 1.0 1.55 7.81 848 609 A 113 GLU HA A 112 GLN HE2x 1.0 1.55 5.75 849 609 A 113 GLU HA A 112 GLN HE2y 1.0 1.55 5.75 850 610 A 112 GLN H A 113 GLU HBx 1.0 1.55 5.15 851 610 A 112 GLN H A 113 GLU HBy 1.0 1.55 5.15 852 611 A 113 GLU H A 114 VAL HG2% 1.0 1.55 4.46 853 612 A 115 SER H A 113 GLU HA 1.0 1.55 4.60 854 613 A 114 VAL H A 113 GLU HA 1.0 1.55 3.34 855 614 A 114 VAL H A 113 GLU HBx 1.0 1.55 3.53 856 614 A 114 VAL H A 113 GLU HBy 1.0 1.55 3.53 857 615 A 114 VAL H A 113 GLU H 1.0 1.55 3.01 858 616 A 116 GLN H A 113 GLU HA 1.0 1.55 3.81 859 617 A 116 GLN H A 114 VAL HG2% 1.0 1.55 6.53 860 618 A 116 GLN H A 114 VAL HA 1.0 1.55 4.72 861 619 A 115 SER H A 114 VAL HG2% 1.0 1.55 4.02 862 619 A 114 VAL HG1% A 115 SER H 1.0 1.55 4.02 863 620 A 114 VAL HG1% A 118 PHE HBy 1.0 1.55 6.82 864 620 A 114 VAL HG2% A 118 PHE HBy 1.0 1.55 6.82 865 620 A 118 PHE HBx A 114 VAL HG2% 1.0 1.55 6.82 866 620 A 118 PHE HBx A 114 VAL HG1% 1.0 1.55 6.82 867 621 A 118 PHE HZ A 114 VAL HG2% 1.0 1.55 9.59 868 621 A 118 PHE HZ A 114 VAL HG1% 1.0 1.55 9.59 869 622 A 115 SER H A 114 VAL HA 1.0 1.55 3.75 870 623 A 114 VAL H A 115 SER H 1.0 1.55 3.54 871 624 A 115 SER H A 114 VAL HG2% 1.0 1.55 4.26 872 625 A 115 SER H A 114 VAL HB 1.0 1.55 2.88 873 626 A 114 VAL H A 115 SER HA 1.0 1.55 5.16 874 627 A 117 LEU H A 114 VAL HA 1.0 1.55 3.93 875 628 A 117 LEU H A 115 SER H 1.0 1.55 4.12 876 629 A 118 PHE HD% A 115 SER H 1.0 1.55 6.70 877 630 A 115 SER H A 118 PHE HBy 1.0 1.55 5.13 878 630 A 118 PHE HBx A 115 SER H 1.0 1.55 5.13 879 631 A 116 GLN H A 115 SER H 1.0 1.55 3.09 880 632 A 117 LEU H A 116 GLN HGx 1.0 1.55 4.72 881 632 A 117 LEU H A 116 GLN HGy 1.0 1.55 4.72 882 633 A 117 LEU H A 116 GLN HBx 1.0 1.55 3.99 883 633 A 117 LEU H A 116 GLN HBy 1.0 1.55 3.99 884 634 A 118 PHE HD% A 116 GLN H 1.0 1.55 6.97 885 635 A 116 GLN HE2x A 117 LEU HD2% 1.0 1.55 7.43 886 635 A 116 GLN HE2y A 117 LEU HD2% 1.0 1.55 7.43 887 635 A 117 LEU HD1% A 116 GLN HE2x 1.0 1.55 7.43 888 635 A 116 GLN HE2y A 117 LEU HD1% 1.0 1.55 7.43 889 636 A 116 GLN H A 117 LEU HBx 1.0 1.55 5.24 890 636 A 116 GLN H A 117 LEU HBy 1.0 1.55 5.24 891 637 A 116 GLN HE2y A 118 PHE HBy 1.0 1.55 7.51 892 637 A 118 PHE HBx A 116 GLN HE2x 1.0 1.55 7.51 893 637 A 118 PHE HBx A 116 GLN HE2y 1.0 1.55 7.51 894 637 A 116 GLN HE2x A 118 PHE HBy 1.0 1.55 7.51 895 638 A 116 GLN HE2x A 117 LEU HBx 1.0 1.55 5.16 896 638 A 116 GLN HE2y A 117 LEU HBx 1.0 1.55 5.16 897 638 A 117 LEU HBy A 116 GLN HE2x 1.0 1.55 5.16 898 638 A 116 GLN HE2y A 117 LEU HBy 1.0 1.55 5.16 899 639 A 118 PHE HE% A 116 GLN H 1.0 1.55 9.30 900 640 A 118 PHE H A 116 GLN HGx 1.0 1.55 6.20 901 640 A 118 PHE H A 116 GLN HGy 1.0 1.55 6.20 902 641 A 116 GLN HA A 120 SER H 1.0 1.55 3.90 903 642 A 117 LEU HD1% A 121 VAL HB 1.0 1.55 4.88 904 643 A 117 LEU HD1% A 121 VAL H 1.0 1.55 4.29 905 644 A 118 PHE H A 117 LEU H 1.0 1.55 3.10 906 645 A 117 LEU H A 118 PHE HBy 1.0 1.55 4.05 907 645 A 118 PHE HBx A 117 LEU H 1.0 1.55 4.05 908 646 A 118 PHE H A 117 LEU HD2% 1.0 1.55 4.68 909 646 A 118 PHE H A 117 LEU HD1% 1.0 1.55 4.68 910 647 A 118 PHE HE% A 117 LEU H 1.0 1.55 8.18 911 648 A 117 LEU HD1% A 122 LEU H 1.0 1.55 5.69 912 649 A 122 LEU H A 117 LEU HD2% 1.0 1.55 8.38 913 650 A 119 ARG H A 117 LEU HD2% 1.0 1.55 6.53 914 650 A 117 LEU HD1% A 119 ARG H 1.0 1.55 6.53 915 651 A 117 LEU H A 119 ARG H 1.0 1.55 4.20 916 652 A 118 PHE H A 117 LEU HA 1.0 1.55 3.34 917 653 A 118 PHE HD% A 119 ARG H 1.0 1.55 4.32 918 654 A 118 PHE HD% A 120 SER H 1.0 1.55 5.56 919 655 A 118 PHE HE% A 119 ARG H 1.0 1.55 6.59 920 656 A 118 PHE HE% A 121 VAL H 1.0 1.55 7.53 921 657 A 119 ARG H A 118 PHE HBy 1.0 1.55 3.34 922 657 A 118 PHE HBx A 119 ARG H 1.0 1.55 3.34 923 658 A 120 SER H A 118 PHE HBy 1.0 1.55 4.48 924 658 A 118 PHE HBx A 120 SER H 1.0 1.55 4.48 925 659 A 118 PHE HZ A 122 LEU HD2% 1.0 1.55 5.48 926 660 A 118 PHE HE% A 122 LEU HD2% 1.0 1.55 5.15 927 661 A 118 PHE HD% A 122 LEU HD2% 1.0 1.55 5.56 928 662 A 118 PHE HE% A 122 LEU HD1% 1.0 1.55 5.96 929 663 A 118 PHE HD% A 122 LEU HD1% 1.0 1.55 6.05 930 664 A 118 PHE HD% A 121 VAL HG2% 1.0 1.55 7.10 931 665 A 118 PHE HBy A 122 LEU HD2% 1.0 1.55 7.24 932 665 A 118 PHE HBx A 122 LEU HD2% 1.0 1.55 7.24 933 666 A 122 LEU HD1% A 118 PHE HBy 1.0 1.55 7.13 934 666 A 118 PHE HBx A 122 LEU HD1% 1.0 1.55 7.13 935 667 A 118 PHE HE% A 121 VAL HG2% 1.0 1.55 7.66 936 668 A 118 PHE HE% A 121 VAL HG1% 1.0 1.55 8.15 937 669 A 118 PHE HD% A 121 VAL HG1% 1.0 1.55 7.34 938 670 A 118 PHE HZ A 122 LEU HD1% 1.0 1.55 6.31 939 671 A 120 SER H A 119 ARG H 1.0 1.55 2.95 940 672 A 121 VAL H A 119 ARG H 1.0 1.55 4.48 941 673 A 122 LEU HD1% A 119 ARG H 1.0 1.55 7.12 942 674 A 119 ARG HDx A 123 GLN HE2x 1.0 1.55 5.83 943 674 A 123 GLN HE2y A 119 ARG HDx 1.0 1.55 5.83 944 674 A 119 ARG HDy A 123 GLN HE2y 1.0 1.55 5.83 945 674 A 119 ARG HDy A 123 GLN HE2x 1.0 1.55 5.83 946 675 A 120 SER H A 119 ARG HBx 1.0 1.55 3.82 947 675 A 120 SER H A 119 ARG HBy 1.0 1.55 3.82 948 676 A 120 SER H A 119 ARG HGx 1.0 1.55 4.59 949 676 A 119 ARG HGy A 120 SER H 1.0 1.55 4.59 950 677 A 120 SER H A 121 VAL HG2% 1.0 1.55 6.68 951 678 A 120 SER H A 121 VAL HG1% 1.0 1.55 6.83 952 679 A 120 SER H A 122 LEU HD2% 1.0 1.55 6.89 953 679 A 122 LEU HD1% A 120 SER H 1.0 1.55 6.89 954 680 A 121 VAL H A 120 SER HA 1.0 1.55 3.41 955 681 A 120 SER H A 124 GLU H 1.0 1.55 5.90 956 682 A 121 VAL H A 123 GLN HGx 1.0 1.55 7.30 957 682 A 121 VAL H A 123 GLN HGy 1.0 1.55 7.30 958 683 A 121 VAL HB A 122 LEU HD2% 1.0 1.55 7.36 959 684 A 122 LEU H A 121 VAL HG2% 1.0 1.55 4.36 960 685 A 121 VAL HG2% A 122 LEU HD2% 1.0 1.55 7.58 961 685 A 122 LEU HD1% A 121 VAL HG2% 1.0 1.55 7.58 962 686 A 121 VAL HG1% A 122 LEU HD2% 1.0 1.55 7.41 963 686 A 122 LEU HD1% A 121 VAL HG1% 1.0 1.55 7.41 964 687 A 123 GLN H A 121 VAL HA 1.0 1.55 4.99 965 688 A 124 GLU H A 121 VAL HA 1.0 1.55 3.66 966 689 A 121 VAL H A 122 LEU HD2% 1.0 1.55 6.35 967 689 A 122 LEU HD1% A 121 VAL H 1.0 1.55 6.35 968 690 A 121 VAL H A 124 GLU H 1.0 1.55 4.45 969 691 A 125 VAL HG2% A 122 LEU HD2% 1.0 1.55 6.78 970 692 A 125 VAL HG2% A 122 LEU HA 1.0 1.55 4.75 971 693 A 122 LEU HD1% A 125 VAL HG1% 1.0 1.55 5.66 972 694 A 126 LEU H A 122 LEU HD2% 1.0 1.55 6.36 973 695 A 122 LEU HD1% A 126 LEU H 1.0 1.55 6.57 974 696 A 129 MET HE% A 122 LEU HD2% 1.0 1.55 7.63 975 696 A 129 MET HE% A 122 LEU HD1% 1.0 1.55 7.63 976 697 A 123 GLN H A 122 LEU H 1.0 1.55 2.92 977 698 A 123 GLN H A 122 LEU HD2% 1.0 1.55 5.25 978 698 A 123 GLN H A 122 LEU HD1% 1.0 1.55 5.25 979 699 A 123 GLN H A 122 LEU HBy 1.0 1.55 3.24 980 699 A 123 GLN H A 122 LEU HBx 1.0 1.55 3.24 981 700 A 126 LEU H A 122 LEU HD2% 1.0 1.55 6.22 982 700 A 122 LEU HD1% A 126 LEU H 1.0 1.55 6.22 983 701 A 122 LEU HD1% A 123 GLN HE2x 1.0 1.55 6.03 984 701 A 123 GLN HE2y A 122 LEU HD2% 1.0 1.55 6.03 985 701 A 122 LEU HD1% A 123 GLN HE2y 1.0 1.55 6.03 986 701 A 122 LEU HD2% A 123 GLN HE2x 1.0 1.55 6.03 987 702 A 122 LEU HBx A 123 GLN HE2x 1.0 1.55 3.33 988 702 A 123 GLN HE2y A 122 LEU HBy 1.0 1.55 3.33 989 702 A 122 LEU HBx A 123 GLN HE2y 1.0 1.55 3.33 990 702 A 122 LEU HBy A 123 GLN HE2x 1.0 1.55 3.33 991 703 A 124 GLU H A 122 LEU HD2% 1.0 1.55 6.50 992 703 A 122 LEU HD1% A 124 GLU H 1.0 1.55 6.50 993 704 A 125 VAL HG1% A 122 LEU HD2% 1.0 1.55 4.87 994 705 A 124 GLU H A 122 LEU HD2% 1.0 1.55 6.32 995 706 A 123 GLN H A 124 GLU H 1.0 1.55 2.69 996 707 A 124 GLU H A 123 GLN HA 1.0 1.55 3.19 997 708 A 126 LEU HD2% A 123 GLN HE2x 1.0 1.55 5.68 998 708 A 123 GLN HE2y A 126 LEU HD2% 1.0 1.55 5.68 999 709 A 126 LEU HA A 123 GLN HE2x 1.0 1.55 7.28 1000 709 A 126 LEU HA A 123 GLN HE2y 1.0 1.55 7.28 1001 710 A 125 VAL H A 123 GLN HE2x 1.0 1.55 6.19 1002 710 A 123 GLN HE2y A 125 VAL H 1.0 1.55 6.19 1003 711 A 126 LEU H A 124 GLU H 1.0 1.55 3.77 1004 712 A 125 VAL HG1% A 124 GLU H 1.0 1.55 5.06 1005 713 A 126 LEU H A 124 GLU HBx 1.0 1.55 5.18 1006 713 A 126 LEU H A 124 GLU HBy 1.0 1.55 5.18 1007 714 A 126 LEU H A 124 GLU HA 1.0 1.55 4.87 1008 715 A 129 MET H A 124 GLU H 1.0 1.55 8.10 1009 716 A 125 VAL HG2% A 124 GLU H 1.0 1.55 5.70 1010 717 A 129 MET HE% A 124 GLU H 1.0 1.55 8.74 1011 718 A 125 VAL H A 126 LEU HD1% 1.0 1.55 6.27 1012 719 A 126 LEU H A 125 VAL HA 1.0 1.55 3.58 1013 720 A 125 VAL HG2% A 129 MET H 1.0 1.55 7.12 1014 721 A 125 VAL HG2% A 126 LEU H 1.0 1.55 4.77 1015 722 A 126 LEU H A 128 ARG H 1.0 1.55 4.03 1016 723 A 129 MET HE% A 128 ARG HE 1.0 1.55 7.46 1017 724 A 129 MET HA A 130 LYS H 1.0 1.55 3.25 1018 725 A 129 MET H A 133 GLU HBx 1.0 1.55 7.78 1019 725 A 129 MET H A 133 GLU HBy 1.0 1.55 7.78 1020 726 A 130 LYS H A 129 MET HBx 1.0 1.55 3.45 1021 726 A 129 MET HBy A 130 LYS H 1.0 1.55 3.45 1022 727 A 129 MET H A 131 GLN H 1.0 1.55 4.24 1023 728 A 133 GLU HA A 135 ALA H 1.0 1.55 4.54 1024 729 A 135 ALA H A 134 GLU HBx 1.0 1.55 3.80 1025 729 A 135 ALA H A 134 GLU HBy 1.0 1.55 3.80 1026 730 A 135 ALA HB% A 136 HIS HD2 1.0 1.55 5.83 1027 731 A 135 ALA HB% A 136 HIS HBx 1.0 1.55 5.51 1028 731 A 135 ALA HB% A 136 HIS HBy 1.0 1.55 5.51 1029 732 A 135 ALA H A 138 LEU HD2% 1.0 1.55 8.30 1030 732 A 135 ALA H A 138 LEU HD1% 1.0 1.55 8.30 1031 733 A 135 ALA HB% A 136 HIS H 1.0 1.55 3.09 1032 734 A 135 ALA H A 136 HIS HBx 1.0 1.55 5.53 1033 734 A 135 ALA H A 136 HIS HBy 1.0 1.55 5.53 1034 735 A 141 GLN HE2y A 138 LEU HD2% 1.0 1.55 6.19 1035 735 A 138 LEU HD2% A 141 GLN HE2x 1.0 1.55 6.19 1036 736 A 138 LEU HD1% A 142 TRP HE1 1.0 1.55 8.18 1037 737 A 138 LEU HD2% A 141 GLN HE2x 1.0 1.55 4.89 1038 737 A 138 LEU HD1% A 141 GLN HE2x 1.0 1.55 4.89 1039 737 A 141 GLN HE2y A 138 LEU HD2% 1.0 1.55 4.89 1040 737 A 138 LEU HD1% A 141 GLN HE2y 1.0 1.55 4.89 1041 738 A 139 THR H A 138 LEU HBx 1.0 1.55 4.08 1042 738 A 138 LEU HBy A 139 THR H 1.0 1.55 4.08 1043 739 A 139 THR H A 138 LEU HD2% 1.0 1.55 5.94 1044 740 A 140 ARG H A 138 LEU HD2% 1.0 1.55 5.34 1045 740 A 138 LEU HD1% A 140 ARG H 1.0 1.55 5.34 1046 741 A 138 LEU HD1% A 140 ARG HA 1.0 1.55 6.91 1047 742 A 138 LEU HD1% A 139 THR HB 1.0 1.55 6.62 1048 743 A 138 LEU HD1% A 139 THR H 1.0 1.55 4.98 1049 744 A 140 ARG H A 139 THR HB 1.0 1.55 3.77 1050 745 A 142 TRP HE1 A 139 THR HG2% 1.0 1.55 7.67 1051 746 A 142 TRP HE1 A 140 ARG HBx 1.0 1.55 7.75 1052 746 A 142 TRP HE1 A 140 ARG HBy 1.0 1.55 7.75 1053 747 A 143 SER HA A 144 LEU H 1.0 1.55 3.25 1054 748 A 144 LEU H A 143 SER HBx 1.0 1.55 4.21 1055 748 A 144 LEU H A 143 SER HBy 1.0 1.55 4.21 1056 749 A 145 ARG H A 144 LEU HBx 1.0 1.55 4.05 1057 749 A 144 LEU HBy A 145 ARG H 1.0 1.55 4.05 1058 750 A 146 PRO HA A 147 ARG H 1.0 1.55 3.46 1059 751 A 150 LEU HA A 154 GLU H 1.0 1.55 6.90 1060 752 A 150 LEU HD1% A 151 ALA H 1.0 1.55 5.48 1061 753 A 150 LEU HD1% A 153 PHE HE% 1.0 1.55 5.65 1062 754 A 150 LEU HD1% A 153 PHE HD% 1.0 1.55 5.86 1063 755 A 151 ALA H A 150 LEU HBx 1.0 1.55 4.17 1064 755 A 151 ALA H A 150 LEU HBy 1.0 1.55 4.17 1065 756 A 151 ALA HB% A 152 THR H 1.0 1.55 3.89 1066 757 A 153 PHE HA A 156 GLU H 1.0 1.55 5.48 1067 758 A 154 GLU H A 153 PHE HA 1.0 1.55 3.32 1068 759 A 154 GLU H A 153 PHE HBy 1.0 1.55 4.27 1069 759 A 154 GLU H A 153 PHE HBx 1.0 1.55 4.27 1070 760 A 154 GLU H A 153 PHE HD% 1.0 1.55 4.65 1071 761 A 155 THR H A 153 PHE HBy 1.0 1.55 4.66 1072 761 A 153 PHE HBx A 155 THR H 1.0 1.55 4.66 1073 762 A 154 GLU H A 155 THR H 1.0 1.55 2.93 1074 763 A 155 THR H A 154 GLU HGx 1.0 1.55 4.75 1075 763 A 155 THR H A 154 GLU HGy 1.0 1.55 4.75 1076 764 A 155 THR H A 154 GLU HA 1.0 1.55 3.21 1077 765 A 156 GLU H A 155 THR HG2% 1.0 1.55 3.92 1078 766 A 156 GLU H A 155 THR H 1.0 1.55 3.43 1079 767 A 156 GLU H A 155 THR HA 1.0 1.55 3.26 1080 768 A 156 GLU HA A 157 ALA H 1.0 1.55 2.15 1081 769 A 157 ALA HA A 158 GLU H 1.0 1.55 3.22 1082 770 A 158 GLU H A 157 ALA HB% 1.0 1.55 3.30 1083 771 A 159 ILE HA A 160 ASP H 1.0 1.55 3.23 1084 772 A 23 GLU HA A 24 MET H 1.0 1.65 3.31 1085 773 A 116 GLN H A 115 SER HA 1.0 1.65 3.29 1086 774 A 124 GLU H A 122 LEU HBy 1.0 1.65 4.40 1087 774 A 122 LEU HBx A 124 GLU H 1.0 1.65 4.40 1088 775 A 30 MET H A 33 LEU HBy 1.0 1.65 4.43 1089 775 A 30 MET H A 33 LEU HBx 1.0 1.65 4.43 1090 776 A 37 MET H A 40 ALA H 1.0 1.65 4.34 1091 777 A 82 GLU H A 79 LEU HA 1.0 1.65 3.31 1092 778 A 116 GLN H A 118 PHE H 1.0 1.65 3.65 1093 779 A 106 GLU H A 104 LEU HA 1.0 1.65 4.12 1094 780 A 115 SER H A 119 ARG H 1.0 1.65 5.94 1095 781 A 78 ARG H A 76 ILE HG2% 1.0 1.65 5.16 1096 782 A 82 GLU H A 79 LEU HG 1.0 1.65 4.94 1097 783 A 85 CYS H A 84 VAL HB 1.0 1.65 3.52 1098 784 A 118 PHE HD% A 122 LEU H 1.0 1.65 5.20 1099 785 A 100 PHE HZ A 117 LEU HD1% 1.0 1.65 5.51 1100 786 A 86 VAL HG1% A 85 CYS H 1.0 1.65 5.53 1101 787 A 27 GLU H A 31 MET H 1.0 1.65 5.71 1102 788 A 31 MET H A 33 LEU HBy 1.0 1.65 4.26 1103 788 A 33 LEU HBx A 31 MET H 1.0 1.65 4.26 1104 789 A 39 GLU H A 36 GLN HA 1.0 1.65 3.61 1105 790 A 83 ASP H A 82 GLU HA 1.0 1.65 3.29 1106 791 A 32 GLU H A 33 LEU HBy 1.0 1.75 4.04 1107 791 A 33 LEU HBx A 32 GLU H 1.0 1.75 4.04 1108 792 A 36 GLN H A 40 ALA H 1.0 1.75 5.36 1109 793 A 81 LEU H A 79 LEU H 1.0 1.75 4.18 1110 794 A 105 ALA H A 104 LEU HA 1.0 1.75 3.25 1111 795 A 105 ALA H A 108 GLU H 1.0 1.75 4.45 1112 796 A 111 VAL HA A 110 GLU H 1.0 1.75 4.01 1113 797 A 113 GLU H A 114 VAL HA 1.0 1.75 4.73 1114 798 A 43 GLN H A 45 ARG H 1.0 1.75 3.95 1115 799 A 128 ARG H A 129 MET HGx 1.0 1.65 6.01 1116 799 A 128 ARG H A 129 MET HGy 1.0 1.65 6.01 1117 800 A 23 GLU H A 86 VAL HG1% 1.0 1.65 6.90 1118 801 A 26 LEU HD1% A 85 CYS H 1.0 1.65 5.06 1119 802 A 62 TRP HE1 A 65 SER HBx 1.0 1.65 8.07 1120 802 A 62 TRP HE1 A 65 SER HBy 1.0 1.65 8.07 1121 803 A 70 THR HG2% A 72 ASP H 1.0 1.65 6.19 1122 804 A 93 CYS H A 92 TYR HD% 1.0 1.65 4.21 1123 805 A 100 PHE HZ A 103 LEU H 1.0 1.65 7.87 1124 806 A 113 GLU HA A 116 GLN HE2x 1.0 1.65 3.07 1125 806 A 113 GLU HA A 116 GLN HE2y 1.0 1.65 3.07 1126 807 A 118 PHE HD% A 121 VAL H 1.0 1.65 5.81 1127 808 A 128 ARG H A 129 MET HA 1.0 1.65 5.23 1128 809 A 142 TRP HE1 A 141 GLN HGx 1.0 1.65 6.74 1129 809 A 142 TRP HE1 A 141 GLN HGy 1.0 1.65 6.74 1130 810 A 153 PHE H A 155 THR HB 1.0 1.65 5.82 1131 811 A 116 GLN HE2x A 117 LEU HD2% 1.0 1.75 6.12 1132 811 A 116 GLN HE2y A 117 LEU HD2% 1.0 1.75 6.12 1133 812 A 96 ALA H A 94 GLY H 1.0 1.85 4.43 1134 813 A 116 GLN H A 118 PHE HA 1.0 1.85 6.47 1135 814 A 122 LEU H A 124 GLU H 1.0 1.85 3.90 1136 815 A 98 LEU H A 103 LEU H 1.0 1.85 7.73 1137 816 A 103 LEU H A 101 ARG H 1.0 1.85 3.87 1138 817 A 73 LEU H A 72 ASP H 1.0 1.85 4.11 1139 818 A 20 SER HA A 22 ALA H 1.0 1.65 4.07 1140 819 A 116 GLN HA A 119 ARG H 1.0 1.85 3.46 1141 820 A 88 ILE H A 89 HIS H 1.0 1.75 4.33 1142 821 A 117 LEU H A 118 PHE HA 1.0 1.85 4.86 1143 822 A 114 VAL H A 111 VAL H 1.0 1.95 4.34 1144 823 A 82 GLU H A 83 ASP HA 1.0 1.75 5.07 1145 824 A 81 LEU H A 83 ASP H 1.0 2.05 4.09 1146 825 A 118 PHE HD% A 117 LEU H 1.0 1.65 5.96 1147 826 A 122 LEU H A 121 VAL HA 1.0 1.65 3.32 1148 827 A 31 MET H A 32 GLU HA 1.0 1.85 4.88 1149 828 A 92 TYR H A 93 CYS HA 1.0 1.85 5.02 1150 829 A 126 LEU H A 123 GLN HE2x 1.0 1.65 5.01 1151 829 A 126 LEU H A 123 GLN HE2y 1.0 1.65 5.01 1152 830 A 93 CYS H A 96 ALA H 1.0 1.95 4.94 1153 831 A 73 LEU H A 74 SER H 1.0 2.35 4.16 1154 832 A 111 VAL H A 115 SER HA 1.0 1.95 8.74 1155 833 A 76 ILE HB A 80 GLN HE2x 1.0 1.65 4.24 1156 833 A 76 ILE HB A 80 GLN HE2y 1.0 1.65 4.24 1157 834 A 118 PHE H A 115 SER H 1.0 1.65 4.35 1158 835 A 34 THR H A 31 MET H 1.0 1.75 4.22 1159 836 A 117 LEU H A 120 SER HA 1.0 1.95 6.74 1160 837 A 33 LEU H A 37 MET HA 1.0 2.15 8.09 1161 838 A 82 GLU H A 84 VAL H 1.0 1.65 3.93 1162 839 A 36 GLN H A 39 GLU H 1.0 1.75 4.52 1163 840 A 77 GLU H A 76 ILE HG1y 1.0 2.15 4.76 1164 840 A 77 GLU H A 76 ILE HG1x 1.0 2.15 4.76 1165 841 A 126 LEU HA A 125 VAL HG1% 1.0 1.65 5.11 1166 842 A 34 THR H A 32 GLU H 1.0 2.15 3.88 1167 843 A 27 GLU H A 31 MET HE% 1.0 2.05 5.45 1168 844 A 31 MET H A 34 THR HA 1.0 2.15 6.88 1169 845 A 116 GLN H A 113 GLU H 1.0 1.85 4.68 1170 846 A 96 ALA H A 92 TYR HA 1.0 1.85 4.14 1171 847 A 82 GLU H A 83 ASP HBy 1.0 1.75 4.36 1172 847 A 82 GLU H A 83 ASP HBx 1.0 1.75 4.36 1173 848 A 145 ARG H A 146 PRO HDy 1.0 2.15 4.17 1174 848 A 145 ARG H A 146 PRO HDx 1.0 2.15 4.17 1175 849 A 33 LEU HD1% A 115 SER H 1.0 1.75 4.41 1176 850 A 74 SER H A 76 ILE H 1.0 2.15 5.05 1177 851 A 119 ARG HA A 123 GLN HE2x 1.0 1.95 4.04 1178 851 A 123 GLN HE2y A 119 ARG HA 1.0 1.95 4.04 1179 852 A 105 ALA H A 106 GLU HGx 1.0 2.05 5.91 1180 852 A 105 ALA H A 106 GLU HGy 1.0 2.05 5.91 1181 853 A 64 ALA H A 63 LEU H 1.0 1.65 4.06 1182 854 A 68 ASP H A 67 PRO HBy 1.0 1.65 3.53 1183 854 A 68 ASP H A 67 PRO HBx 1.0 1.65 3.53 1184 855 A 107 GLN H A 103 LEU HG 1.0 1.65 6.55 1185 856 A 142 TRP HE1 A 141 GLN HA 1.0 1.65 5.81 1186 857 A 26 LEU HG A 85 CYS H 1.0 1.75 5.37 1187 858 A 88 ILE H A 85 CYS H 1.0 2.15 5.08 1188 859 A 30 MET H A 26 LEU HA 1.0 1.95 3.97 1189 860 A 120 SER H A 123 GLN HE2x 1.0 2.35 6.19 1190 860 A 120 SER H A 123 GLN HE2y 1.0 2.35 6.19 1191 861 A 135 ALA H A 136 HIS HD2 1.0 2.05 4.79 1192 862 A 125 VAL HG1% A 122 LEU HG 1.0 1.75 6.14 1193 863 A 35 GLY H A 39 GLU H 1.0 1.65 5.61 1194 864 A 23 GLU H A 19 ARG HBy 1.0 1.85 4.43 1195 864 A 19 ARG HBx A 23 GLU H 1.0 1.85 4.43 1196 865 A 97 ILE HD1% A 94 GLY H 1.0 1.75 5.55 1197 866 A 81 LEU H A 84 VAL H 1.0 1.75 4.64 1198 867 A 97 ILE HD1% A 101 ARG H 1.0 1.95 6.60 1199 868 A 117 LEU H A 120 SER H 1.0 1.95 4.38 1200 869 A 30 MET H A 26 LEU H 1.0 2.35 5.85 1201 870 A 97 ILE HD1% A 96 ALA H 1.0 1.75 5.51 1202 871 A 40 ALA H A 111 VAL HA 1.0 1.65 5.40 1203 872 A 88 ILE HG2% A 125 VAL H 1.0 1.65 8.58 1204 873 A 97 ILE HD1% A 100 PHE HZ 1.0 1.65 9.17 1205 874 A 99 ARG H A 104 LEU H 1.0 1.65 7.75 1206 875 A 126 LEU HA A 124 GLU H 1.0 1.65 6.46 1207 876 A 29 LEU H A 33 LEU H 1.0 1.95 5.83 1208 877 A 118 PHE H A 120 SER H 1.0 1.85 3.74 1209 878 A 86 VAL H A 82 GLU HA 1.0 1.95 3.86 1210 879 A 88 ILE H A 84 VAL HA 1.0 2.15 5.16 1211 880 A 41 GLU H A 37 MET HGx 1.0 1.75 5.15 1212 880 A 37 MET HGy A 41 GLU H 1.0 1.75 5.15 1213 881 A 123 GLN H A 119 ARG H 1.0 1.85 5.85 1214 882 A 77 GLU H A 76 ILE HD1% 1.0 2.15 4.08 1215 883 A 50 ALA H A 54 VAL HB 1.0 1.95 7.19 1216 884 A 101 ARG HA A 103 LEU H 1.0 1.85 4.15 1217 885 A 92 TYR H A 96 ALA H 1.0 2.45 6.32 1218 886 A 58 VAL HG1% A 62 TRP H 1.0 1.65 8.28 1219 887 A 157 ALA H A 156 GLU HGx 1.0 1.65 3.94 1220 887 A 157 ALA H A 156 GLU HGy 1.0 1.65 3.94 1221 888 A 34 THR H A 38 ARG H 1.0 2.05 5.81 1222 889 A 115 SER H A 112 GLN H 1.0 1.75 4.97 1223 890 A 37 MET HE% A 115 SER HA 1.0 1.75 4.00 1224 891 A 89 HIS H A 88 ILE HB 1.0 1.95 4.02 1225 892 A 78 ARG H A 74 SER HA 1.0 1.85 5.07 1226 893 A 160 ASP H A 159 ILE HB 1.0 1.85 3.83 1227 894 A 74 SER H A 78 ARG H 1.0 2.25 4.50 1228 895 A 72 ASP H A 74 SER H 1.0 2.35 5.36 1229 896 A 37 MET HA A 33 LEU HA 1.0 2.05 5.70 1230 897 A 37 MET HA A 73 LEU HBx 1.0 1.95 8.41 1231 897 A 37 MET HA A 73 LEU HBy 1.0 1.95 8.41 1232 898 A 110 GLU H A 112 GLN HE2x 1.0 2.55 5.59 1233 898 A 110 GLU H A 112 GLN HE2y 1.0 2.55 5.59 1234 899 A 47 ARG HDx A 49 ASN HD2x 1.0 1.65 7.36 1235 899 A 47 ARG HDy A 49 ASN HD2x 1.0 1.65 7.36 1236 899 A 49 ASN HD2y A 47 ARG HDx 1.0 1.65 7.36 1237 899 A 49 ASN HD2y A 47 ARG HDy 1.0 1.65 7.36 1238 900 A 51 VAL H A 52 ARG H 1.0 1.65 2.75 1239 901 A 120 SER H A 119 ARG HDx 1.0 1.75 4.95 1240 901 A 120 SER H A 119 ARG HDy 1.0 1.75 4.95 1241 902 A 126 LEU HG A 123 GLN HE2x 1.0 2.25 4.88 1242 902 A 126 LEU HG A 123 GLN HE2y 1.0 2.25 4.88 1243 903 A 23 GLU H A 19 ARG HGx 1.0 1.85 5.09 1244 903 A 23 GLU H A 19 ARG HGy 1.0 1.85 5.09 1245 904 A 22 ALA HB% A 86 VAL HB 1.0 2.15 4.45 1246 905 A 115 SER H A 116 GLN HE2x 1.0 3.05 5.90 1247 905 A 115 SER H A 116 GLN HE2y 1.0 3.05 5.90 1248 906 A 40 ALA H A 111 VAL HG2% 1.0 1.65 5.14 1249 907 A 79 LEU H A 78 ARG HDx 1.0 2.05 5.03 1250 908 A 85 CYS HBx A 81 LEU HD1% 1.0 2.45 5.79 1251 908 A 81 LEU HD1% A 85 CYS HBy 1.0 2.45 5.79 1252 909 A 104 LEU H A 117 LEU HD2% 1.0 1.85 4.93 1253 910 A 30 MET HE% A 82 GLU HA 1.0 1.65 4.50 1254 911 A 62 TRP HE1 A 63 LEU HG 1.0 1.65 4.81 1255 912 A 110 GLU HBx A 112 GLN HE2x 1.0 1.65 3.06 1256 912 A 110 GLU HBy A 112 GLN HE2x 1.0 1.65 3.06 1257 912 A 112 GLN HE2y A 110 GLU HBx 1.0 1.65 3.06 1258 912 A 112 GLN HE2y A 110 GLU HBy 1.0 1.65 3.06 1259 913 A 99 ARG H A 103 LEU H 1.0 1.85 5.81 1260 914 A 115 SER H A 111 VAL HA 1.0 1.75 3.93 1261 915 A 79 LEU H A 78 ARG HDy 1.0 1.85 4.44 1262 915 A 79 LEU H A 78 ARG HDx 1.0 1.85 4.44 1263 916 A 76 ILE HD1% A 77 GLU HBx 1.0 2.35 5.28 1264 916 A 76 ILE HD1% A 77 GLU HBy 1.0 2.35 5.28 1265 917 A 92 TYR H A 94 GLY H 1.0 1.65 4.23 1266 918 A 58 VAL H A 56 THR HB 1.0 1.75 5.84 1267 919 A 76 ILE H A 79 LEU H 1.0 1.95 4.66 1268 920 A 83 ASP H A 79 LEU HA 1.0 2.25 4.04 1269 921 A 59 ASP H A 58 VAL HB 1.0 2.05 4.01 1270 922 A 39 GLU H A 37 MET HGx 1.0 1.75 6.08 1271 922 A 39 GLU H A 37 MET HGy 1.0 1.75 6.08 1272 923 A 78 ARG H A 76 ILE HD1% 1.0 2.05 5.96 1273 924 A 93 CYS H A 88 ILE HB 1.0 2.75 6.43 1274 925 A 158 GLU HA A 159 ILE H 1.0 1.75 2.40 1275 926 A 22 ALA H A 24 MET HE% 1.0 2.45 5.28 1276 927 A 51 VAL H A 52 ARG HDx 1.0 2.25 5.95 1277 927 A 51 VAL H A 52 ARG HDy 1.0 2.25 5.95 1278 928 A 93 CYS H A 125 VAL HG1% 1.0 1.65 6.71 1279 929 A 129 MET HE% A 126 LEU H 1.0 1.65 5.16 1280 930 A 111 VAL H A 110 GLU H 1.0 1.75 3.45 1281 931 A 138 LEU HD1% A 141 GLN HE2y 1.0 1.75 5.36 1282 931 A 138 LEU HD1% A 141 GLN HE2x 1.0 1.75 5.36 1283 932 A 118 PHE HE% A 31 MET H 1.0 2.05 6.32 1284 933 A 37 MET H A 111 VAL HG2% 1.0 1.75 5.39 1285 934 A 141 GLN HE2y A 144 LEU HBx 1.0 1.85 4.85 1286 934 A 141 GLN HE2x A 144 LEU HBx 1.0 1.85 4.85 1287 934 A 144 LEU HBy A 141 GLN HE2x 1.0 1.85 4.85 1288 934 A 141 GLN HE2y A 144 LEU HBy 1.0 1.85 4.85 1289 935 A 110 GLU HA A 112 GLN HE2x 1.0 1.75 3.65 1290 935 A 110 GLU HA A 112 GLN HE2y 1.0 1.75 3.65 1291 936 A 140 ARG HA A 141 GLN HE2x 1.0 1.95 6.55 1292 936 A 141 GLN HE2y A 140 ARG HA 1.0 1.95 6.55 1293 937 A 160 ASP H A 159 ILE HG1y 1.0 1.95 3.90 1294 937 A 160 ASP H A 159 ILE HG1x 1.0 1.95 3.90 1295 938 A 122 LEU HD1% A 126 LEU HD1% 1.0 1.75 4.82 1296 939 A 83 ASP H A 79 LEU HG 1.0 2.05 4.20 1297 940 A 52 ARG HA A 54 VAL H 1.0 2.25 4.64 1298 941 A 29 LEU HG A 33 LEU H 1.0 1.85 5.77 1299 942 A 47 ARG HGy A 49 ASN HD2x 1.0 1.95 6.50 1300 942 A 47 ARG HGx A 49 ASN HD2x 1.0 1.95 6.50 1301 942 A 49 ASN HD2y A 47 ARG HGx 1.0 1.95 6.50 1302 942 A 49 ASN HD2y A 47 ARG HGy 1.0 1.95 6.50 1303 943 A 150 LEU HA A 151 ALA H 1.0 1.95 3.26 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 26 LEU H A 22 ALA O 1.0 1.7 2.3 2 2 A 22 ALA O A 26 LEU N 1.0 2.7 3.3 3 3 A 27 GLU H A 23 GLU O 1.0 1.7 2.3 4 4 A 23 GLU O A 27 GLU N 1.0 2.7 3.3 5 5 A 28 THR H A 24 MET O 1.0 1.7 2.3 6 6 A 24 MET O A 28 THR N 1.0 2.7 3.3 7 7 A 29 LEU H A 25 VAL O 1.0 1.7 2.3 8 8 A 25 VAL O A 29 LEU N 1.0 2.7 3.3 9 9 A 30 MET H A 26 LEU O 1.0 1.7 2.3 10 10 A 26 LEU O A 30 MET N 1.0 2.7 3.3 11 11 A 31 MET H A 27 GLU O 1.0 1.7 2.3 12 12 A 27 GLU O A 31 MET N 1.0 2.7 3.3 13 13 A 32 GLU H A 28 THR O 1.0 1.7 2.3 14 14 A 28 THR O A 32 GLU N 1.0 2.7 3.3 15 15 A 33 LEU H A 29 LEU O 1.0 1.7 2.3 16 16 A 29 LEU O A 33 LEU N 1.0 2.7 3.3 17 17 A 34 THR H A 30 MET O 1.0 1.7 2.3 18 18 A 30 MET O A 34 THR N 1.0 2.7 3.3 19 19 A 35 GLY H A 31 MET O 1.0 1.7 2.3 20 20 A 31 MET O A 35 GLY N 1.0 2.7 3.3 21 21 A 36 GLN H A 32 GLU O 1.0 1.7 2.3 22 22 A 32 GLU O A 36 GLN N 1.0 2.7 3.3 23 23 A 37 MET H A 33 LEU O 1.0 1.7 2.3 24 24 A 33 LEU O A 37 MET N 1.0 2.7 3.3 25 25 A 38 ARG H A 34 THR O 1.0 1.7 2.3 26 26 A 34 THR O A 38 ARG N 1.0 2.7 3.3 27 27 A 39 GLU H A 35 GLY O 1.0 1.7 2.3 28 28 A 35 GLY O A 39 GLU N 1.0 2.7 3.3 29 29 A 40 ALA H A 36 GLN O 1.0 1.7 2.3 30 30 A 36 GLN O A 40 ALA N 1.0 2.7 3.3 31 31 A 41 GLU H A 37 MET O 1.0 1.7 2.3 32 32 A 37 MET O A 41 GLU N 1.0 2.7 3.3 33 33 A 42 ARG H A 38 ARG O 1.0 1.7 2.3 34 34 A 38 ARG O A 42 ARG N 1.0 2.7 3.3 35 35 A 43 GLN H A 39 GLU O 1.0 1.7 2.3 36 36 A 39 GLU O A 43 GLN N 1.0 2.7 3.3 37 37 A 44 GLN H A 40 ALA O 1.0 1.7 2.3 38 38 A 40 ALA O A 44 GLN N 1.0 2.7 3.3 39 39 A 45 ARG H A 41 GLU O 1.0 1.7 2.3 40 40 A 41 GLU O A 45 ARG N 1.0 2.7 3.3 41 41 A 46 GLU H A 42 ARG O 1.0 1.7 2.3 42 42 A 42 ARG O A 46 GLU N 1.0 2.7 3.3 43 43 A 47 ARG H A 43 GLN O 1.0 1.7 2.3 44 44 A 43 GLN O A 47 ARG N 1.0 2.7 3.3 45 45 A 48 SER H A 44 GLN O 1.0 1.7 2.3 46 46 A 44 GLN O A 48 SER N 1.0 2.7 3.3 47 47 A 49 ASN H A 45 ARG O 1.0 1.7 2.3 48 48 A 45 ARG O A 49 ASN N 1.0 2.7 3.3 49 49 A 50 ALA H A 46 GLU O 1.0 1.7 2.3 50 50 A 46 GLU O A 50 ALA N 1.0 2.7 3.3 51 51 A 51 VAL H A 47 ARG O 1.0 1.7 2.3 52 52 A 47 ARG O A 51 VAL N 1.0 2.7 3.3 53 53 A 79 LEU H A 75 PRO O 1.0 1.7 2.3 54 54 A 75 PRO O A 79 LEU N 1.0 2.7 3.3 55 55 A 80 GLN H A 76 ILE O 1.0 1.7 2.3 56 56 A 76 ILE O A 80 GLN N 1.0 2.7 3.3 57 57 A 81 LEU H A 77 GLU O 1.0 1.7 2.3 58 58 A 77 GLU O A 81 LEU N 1.0 2.7 3.3 59 59 A 82 GLU H A 78 ARG O 1.0 1.7 2.3 60 60 A 78 ARG O A 82 GLU N 1.0 2.7 3.3 61 61 A 83 ASP H A 79 LEU O 1.0 1.7 2.3 62 62 A 79 LEU O A 83 ASP N 1.0 2.7 3.3 63 63 A 84 VAL H A 80 GLN O 1.0 1.7 2.3 64 64 A 80 GLN O A 84 VAL N 1.0 2.7 3.3 65 65 A 85 CYS H A 81 LEU O 1.0 1.7 2.3 66 66 A 81 LEU O A 85 CYS N 1.0 2.7 3.3 67 67 A 86 VAL H A 82 GLU O 1.0 1.7 2.3 68 68 A 82 GLU O A 86 VAL N 1.0 2.7 3.3 69 69 A 87 LYS H A 83 ASP O 1.0 1.7 2.3 70 70 A 83 ASP O A 87 LYS N 1.0 2.7 3.3 71 71 A 96 ALA H A 92 TYR O 1.0 1.7 2.3 72 72 A 92 TYR O A 96 ALA N 1.0 2.7 3.3 73 73 A 97 ILE H A 93 CYS O 1.0 1.7 2.3 74 74 A 93 CYS O A 97 ILE N 1.0 2.7 3.3 75 75 A 98 LEU H A 94 GLY O 1.0 1.7 2.3 76 76 A 94 GLY O A 98 LEU N 1.0 2.7 3.3 77 77 A 99 ARG H A 95 PRO O 1.0 1.7 2.3 78 78 A 95 PRO O A 99 ARG N 1.0 2.7 3.3 79 79 A 100 PHE H A 96 ALA O 1.0 1.7 2.3 80 80 A 96 ALA O A 100 PHE N 1.0 2.7 3.3 81 81 A 101 ARG H A 97 ILE O 1.0 1.7 2.3 82 82 A 97 ILE O A 101 ARG N 1.0 2.7 3.3 83 83 A 102 GLN H A 98 LEU O 1.0 1.7 2.3 84 84 A 98 LEU O A 102 GLN N 1.0 2.7 3.3 85 85 A 103 LEU H A 99 ARG O 1.0 1.7 2.3 86 86 A 99 ARG O A 103 LEU N 1.0 2.7 3.3 87 87 A 104 LEU H A 100 PHE O 1.0 1.7 2.3 88 88 A 100 PHE O A 104 LEU N 1.0 2.7 3.3 89 89 A 105 ALA H A 101 ARG O 1.0 1.7 2.3 90 90 A 101 ARG O A 105 ALA N 1.0 2.7 3.3 91 91 A 106 GLU H A 102 GLN O 1.0 1.7 2.3 92 92 A 102 GLN O A 106 GLU N 1.0 2.7 3.3 93 93 A 107 GLN H A 103 LEU O 1.0 1.7 2.3 94 94 A 103 LEU O A 107 GLN N 1.0 2.7 3.3 95 95 A 115 SER H A 111 VAL O 1.0 1.7 2.3 96 96 A 111 VAL O A 115 SER N 1.0 2.7 3.3 97 97 A 116 GLN H A 112 GLN O 1.0 1.7 2.3 98 98 A 112 GLN O A 116 GLN N 1.0 2.7 3.3 99 99 A 117 LEU H A 113 GLU O 1.0 1.7 2.3 100 100 A 113 GLU O A 117 LEU N 1.0 2.7 3.3 101 101 A 118 PHE H A 114 VAL O 1.0 1.7 2.3 102 102 A 114 VAL O A 118 PHE N 1.0 2.7 3.3 103 103 A 119 ARG H A 115 SER O 1.0 1.7 2.3 104 104 A 115 SER O A 119 ARG N 1.0 2.7 3.3 105 105 A 120 SER H A 116 GLN O 1.0 1.7 2.3 106 106 A 116 GLN O A 120 SER N 1.0 2.7 3.3 107 107 A 121 VAL H A 117 LEU O 1.0 1.7 2.3 108 108 A 117 LEU O A 121 VAL N 1.0 2.7 3.3 109 109 A 122 LEU H A 118 PHE O 1.0 1.7 2.3 110 110 A 118 PHE O A 122 LEU N 1.0 2.7 3.3 111 111 A 123 GLN H A 119 ARG O 1.0 1.7 2.3 112 112 A 119 ARG O A 123 GLN N 1.0 2.7 3.3 113 113 A 124 GLU H A 120 SER O 1.0 1.7 2.3 114 114 A 120 SER O A 124 GLU N 1.0 2.7 3.3 115 115 A 125 VAL H A 121 VAL O 1.0 1.7 2.3 116 116 A 121 VAL O A 125 VAL N 1.0 2.7 3.3 117 117 A 126 LEU H A 122 LEU O 1.0 1.7 2.3 118 118 A 122 LEU O A 126 LEU N 1.0 2.7 3.3 119 119 A 127 GLU H A 123 GLN O 1.0 1.7 2.3 120 120 A 123 GLN O A 127 GLU N 1.0 2.7 3.3 121 121 A 128 ARG H A 124 GLU O 1.0 1.7 2.3 122 122 A 124 GLU O A 128 ARG N 1.0 2.7 3.3 123 123 A 129 MET H A 125 VAL O 1.0 1.7 2.3 124 124 A 125 VAL O A 129 MET N 1.0 2.7 3.3 125 125 A 130 LYS H A 126 LEU O 1.0 1.7 2.3 126 126 A 126 LEU O A 130 LYS N 1.0 2.7 3.3 127 127 A 131 GLN H A 127 GLU O 1.0 1.7 2.3 128 128 A 127 GLU O A 131 GLN N 1.0 2.7 3.3 129 129 A 132 GLU H A 128 ARG O 1.0 1.7 2.3 130 130 A 128 ARG O A 132 GLU N 1.0 2.7 3.3 131 131 A 133 GLU H A 129 MET O 1.0 1.7 2.3 132 132 A 129 MET O A 133 GLU N 1.0 2.7 3.3 133 133 A 134 GLU H A 130 LYS O 1.0 1.7 2.3 134 134 A 130 LYS O A 134 GLU N 1.0 2.7 3.3 135 135 A 135 ALA H A 131 GLN O 1.0 1.7 2.3 136 136 A 131 GLN O A 135 ALA N 1.0 2.7 3.3 137 137 A 136 HIS H A 132 GLU O 1.0 1.7 2.3 138 138 A 132 GLU O A 136 HIS N 1.0 2.7 3.3 139 139 A 137 LYS H A 133 GLU O 1.0 1.7 2.3 140 140 A 133 GLU O A 137 LYS N 1.0 2.7 3.3 141 141 A 138 LEU H A 134 GLU O 1.0 1.7 2.3 142 142 A 134 GLU O A 138 LEU N 1.0 2.7 3.3 143 143 A 139 THR H A 135 ALA O 1.0 1.7 2.3 144 144 A 135 ALA O A 139 THR N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 18 ALA C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -94.08 -54.08 PHI 2 2 A 19 ARG N A 19 ARG CA A 19 ARG C A 20 SER N 1.0 120.92 169.42 PSI 3 3 A 19 ARG C A 20 SER N A 20 SER CA A 20 SER C 1.0 -90.64 -50.64 PHI 4 4 A 20 SER N A 20 SER CA A 20 SER C A 21 PRO N 1.0 134.03 174.03 PSI 5 5 A 21 PRO N A 21 PRO CA A 21 PRO C A 22 ALA N 1.0 -56.66 -16.66 PSI 6 6 A 21 PRO C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -86.69 -46.69 PHI 7 7 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 GLU N 1.0 -58.01 -18.01 PSI 8 8 A 22 ALA C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -87.68 -47.68 PHI 9 9 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 MET N 1.0 -58.08 -18.08 PSI 10 10 A 23 GLU C A 24 MET N A 24 MET CA A 24 MET C 1.0 -85.81 -45.81 PHI 11 11 A 24 MET N A 24 MET CA A 24 MET C A 25 VAL N 1.0 -61.61 -21.61 PSI 12 12 A 24 MET C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -83.94 -43.94 PHI 13 13 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 LEU N 1.0 -64.76 -24.76 PSI 14 14 A 25 VAL C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -81.83 -41.83 PHI 15 15 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 GLU N 1.0 -63.75 -23.75 PSI 16 16 A 26 LEU C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -84.35 -44.35 PHI 17 17 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 THR N 1.0 -61.33 -21.33 PSI 18 18 A 27 GLU C A 28 THR N A 28 THR CA A 28 THR C 1.0 -86.30 -46.30 PHI 19 19 A 28 THR N A 28 THR CA A 28 THR C A 29 LEU N 1.0 -63.55 -23.55 PSI 20 20 A 28 THR C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -84.35 -44.35 PHI 21 21 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 MET N 1.0 -61.51 -21.51 PSI 22 22 A 29 LEU C A 30 MET N A 30 MET CA A 30 MET C 1.0 -85.69 -45.69 PHI 23 23 A 30 MET N A 30 MET CA A 30 MET C A 31 MET N 1.0 -57.11 -17.11 PSI 24 24 A 30 MET C A 31 MET N A 31 MET CA A 31 MET C 1.0 -86.18 -46.18 PHI 25 25 A 31 MET N A 31 MET CA A 31 MET C A 32 GLU N 1.0 -63.07 -23.07 PSI 26 26 A 31 MET C A 32 GLU N A 32 GLU CA A 32 GLU C 1.0 -84.24 -44.24 PHI 27 27 A 32 GLU C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -84.26 -44.26 PHI 28 28 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 THR N 1.0 -63.17 -23.17 PSI 29 29 A 33 LEU C A 34 THR N A 34 THR CA A 34 THR C 1.0 -83.95 -43.95 PHI 30 30 A 34 THR N A 34 THR CA A 34 THR C A 35 GLY N 1.0 -62.06 -22.06 PSI 31 31 A 34 THR C A 35 GLY N A 35 GLY CA A 35 GLY C 1.0 -82.88 -42.88 PHI 32 32 A 35 GLY N A 35 GLY CA A 35 GLY C A 36 GLN N 1.0 -61.79 -21.79 PSI 33 33 A 35 GLY C A 36 GLN N A 36 GLN CA A 36 GLN C 1.0 -87.69 -47.69 PHI 34 34 A 36 GLN N A 36 GLN CA A 36 GLN C A 37 MET N 1.0 -57.07 -17.07 PSI 35 35 A 36 GLN C A 37 MET N A 37 MET CA A 37 MET C 1.0 -85.06 -45.06 PHI 36 36 A 37 MET N A 37 MET CA A 37 MET C A 38 ARG N 1.0 -64.72 -24.72 PSI 37 37 A 37 MET C A 38 ARG N A 38 ARG CA A 38 ARG C 1.0 -83.85 -43.85 PHI 38 38 A 38 ARG N A 38 ARG CA A 38 ARG C A 39 GLU N 1.0 -59.52 -19.52 PSI 39 39 A 38 ARG C A 39 GLU N A 39 GLU CA A 39 GLU C 1.0 -85.50 -45.50 PHI 40 40 A 39 GLU N A 39 GLU CA A 39 GLU C A 40 ALA N 1.0 -61.04 -21.04 PSI 41 41 A 39 GLU C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -84.45 -44.45 PHI 42 42 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 GLU N 1.0 -55.36 -15.36 PSI 43 43 A 40 ALA C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -84.94 -44.94 PHI 44 44 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 ARG N 1.0 -49.01 -9.01 PSI 45 45 A 45 ARG C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -79.59 -39.59 PHI 46 46 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 ARG N 1.0 -53.92 -13.92 PSI 47 47 A 46 GLU C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -87.41 -47.41 PHI 48 48 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 SER N 1.0 -55.11 -15.11 PSI 49 49 A 47 ARG C A 48 SER N A 48 SER CA A 48 SER C 1.0 -88.94 -48.94 PHI 50 50 A 48 SER N A 48 SER CA A 48 SER C A 49 ASN N 1.0 -55.31 -15.31 PSI 51 51 A 48 SER C A 49 ASN N A 49 ASN CA A 49 ASN C 1.0 -88.13 -48.13 PHI 52 52 A 49 ASN N A 49 ASN CA A 49 ASN C A 50 ALA N 1.0 -54.52 -14.52 PSI 53 53 A 49 ASN C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -88.33 -48.33 PHI 54 54 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 VAL N 1.0 -46.77 -6.77 PSI 55 55 A 68 ASP C A 69 SER N A 69 SER CA A 69 SER C 1.0 -113.59 -37.11 PHI 56 56 A 69 SER N A 69 SER CA A 69 SER C A 70 THR N 1.0 110.73 170.73 PSI 57 57 A 69 SER C A 70 THR N A 70 THR CA A 70 THR C 1.0 -156.10 -88.08 PHI 58 58 A 70 THR N A 70 THR CA A 70 THR C A 71 TYR N 1.0 113.32 171.80 PSI 59 59 A 70 THR C A 71 TYR N A 71 TYR CA A 71 TYR C 1.0 -105.88 -48.64 PHI 60 60 A 71 TYR N A 71 TYR CA A 71 TYR C A 72 ASP N 1.0 111.12 151.12 PSI 61 61 A 71 TYR C A 72 ASP N A 72 ASP CA A 72 ASP C 1.0 -158.76 -82.22 PHI 62 62 A 72 ASP N A 72 ASP CA A 72 ASP C A 73 LEU N 1.0 106.04 173.86 PSI 63 63 A 72 ASP C A 73 LEU N A 73 LEU CA A 73 LEU C 1.0 -103.63 -49.53 PHI 64 64 A 74 SER N A 74 SER CA A 74 SER C A 75 PRO N 1.0 131.76 174.76 PSI 65 65 A 75 PRO N A 75 PRO CA A 75 PRO C A 76 ILE N 1.0 -57.90 -17.90 PSI 66 66 A 75 PRO C A 76 ILE N A 76 ILE CA A 76 ILE C 1.0 -86.69 -46.69 PHI 67 67 A 76 ILE N A 76 ILE CA A 76 ILE C A 77 GLU N 1.0 -58.51 -18.51 PSI 68 68 A 76 ILE C A 77 GLU N A 77 GLU CA A 77 GLU C 1.0 -88.87 -48.87 PHI 69 69 A 77 GLU N A 77 GLU CA A 77 GLU C A 78 ARG N 1.0 -59.44 -19.44 PSI 70 70 A 77 GLU C A 78 ARG N A 78 ARG CA A 78 ARG C 1.0 -82.65 -42.65 PHI 71 71 A 78 ARG N A 78 ARG CA A 78 ARG C A 79 LEU N 1.0 -61.51 -21.51 PSI 72 72 A 78 ARG C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -83.77 -43.77 PHI 73 73 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 GLN N 1.0 -63.63 -23.63 PSI 74 74 A 79 LEU C A 80 GLN N A 80 GLN CA A 80 GLN C 1.0 -83.38 -43.38 PHI 75 75 A 80 GLN N A 80 GLN CA A 80 GLN C A 81 LEU N 1.0 -63.10 -23.10 PSI 76 76 A 80 GLN C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -86.88 -46.88 PHI 77 77 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 GLU N 1.0 -60.84 -20.84 PSI 78 78 A 81 LEU C A 82 GLU N A 82 GLU CA A 82 GLU C 1.0 -80.88 -40.88 PHI 79 79 A 82 GLU N A 82 GLU CA A 82 GLU C A 83 ASP N 1.0 -62.17 -22.17 PSI 80 80 A 82 GLU C A 83 ASP N A 83 ASP CA A 83 ASP C 1.0 -86.24 -46.24 PHI 81 81 A 83 ASP N A 83 ASP CA A 83 ASP C A 84 VAL N 1.0 -57.82 -17.82 PSI 82 82 A 83 ASP C A 84 VAL N A 84 VAL CA A 84 VAL C 1.0 -86.16 -46.16 PHI 83 83 A 84 VAL N A 84 VAL CA A 84 VAL C A 85 CYS N 1.0 -62.71 -22.71 PSI 84 84 A 84 VAL C A 85 CYS N A 85 CYS CA A 85 CYS C 1.0 -81.03 -41.03 PHI 85 85 A 85 CYS N A 85 CYS CA A 85 CYS C A 86 VAL N 1.0 -58.29 -18.29 PSI 86 86 A 85 CYS C A 86 VAL N A 86 VAL CA A 86 VAL C 1.0 -91.27 -51.27 PHI 87 87 A 86 VAL N A 86 VAL CA A 86 VAL C A 87 LYS N 1.0 -36.76 3.24 PSI 88 88 A 86 VAL C A 87 LYS N A 87 LYS CA A 87 LYS C 1.0 -108.74 -68.74 PHI 89 89 A 87 LYS N A 87 LYS CA A 87 LYS C A 88 ILE N 1.0 -28.69 11.31 PSI 90 90 A 87 LYS C A 88 ILE N A 88 ILE CA A 88 ILE C 1.0 -100.07 -40.07 PHI 91 91 A 88 ILE N A 88 ILE CA A 88 ILE C A 89 HIS N 1.0 86.51 193.79 PSI 92 92 A 88 ILE C A 89 HIS N A 89 HIS CA A 89 HIS C 1.0 -99.78 -25.74 PHI 93 93 A 89 HIS N A 89 HIS CA A 89 HIS C A 90 PRO N 1.0 115.95 160.95 PSI 94 94 A 90 PRO C A 91 SER N A 91 SER CA A 91 SER C 1.0 -82.92 -42.92 PHI 95 95 A 91 SER N A 91 SER CA A 91 SER C A 92 TYR N 1.0 -49.22 -9.22 PSI 96 96 A 91 SER C A 92 TYR N A 92 TYR CA A 92 TYR C 1.0 -119.27 -56.75 PHI 97 97 A 92 TYR N A 92 TYR CA A 92 TYR C A 93 CYS N 1.0 -44.69 24.01 PSI 98 98 A 92 TYR C A 93 CYS N A 93 CYS CA A 93 CYS C 1.0 -81.79 -41.79 PHI 99 99 A 93 CYS N A 93 CYS CA A 93 CYS C A 94 GLY N 1.0 -63.50 -23.50 PSI 100 100 A 93 CYS C A 94 GLY N A 94 GLY CA A 94 GLY C 1.0 -78.47 -38.47 PHI 101 101 A 94 GLY N A 94 GLY CA A 94 GLY C A 95 PRO N 1.0 -72.55 -32.55 PSI 102 102 A 95 PRO N A 95 PRO CA A 95 PRO C A 96 ALA N 1.0 -57.52 -17.52 PSI 103 103 A 95 PRO C A 96 ALA N A 96 ALA CA A 96 ALA C 1.0 -86.83 -46.83 PHI 104 104 A 96 ALA N A 96 ALA CA A 96 ALA C A 97 ILE N 1.0 -59.70 -19.70 PSI 105 105 A 96 ALA C A 97 ILE N A 97 ILE CA A 97 ILE C 1.0 -86.00 -46.00 PHI 106 106 A 97 ILE N A 97 ILE CA A 97 ILE C A 98 LEU N 1.0 -60.91 -20.91 PSI 107 107 A 97 ILE C A 98 LEU N A 98 LEU CA A 98 LEU C 1.0 -84.34 -44.34 PHI 108 108 A 98 LEU N A 98 LEU CA A 98 LEU C A 99 ARG N 1.0 -51.31 -11.31 PSI 109 109 A 103 LEU C A 104 LEU N A 104 LEU CA A 104 LEU C 1.0 -84.28 -44.28 PHI 110 110 A 104 LEU N A 104 LEU CA A 104 LEU C A 105 ALA N 1.0 -59.21 -19.21 PSI 111 111 A 104 LEU C A 105 ALA N A 105 ALA CA A 105 ALA C 1.0 -88.96 -48.96 PHI 112 112 A 105 ALA N A 105 ALA CA A 105 ALA C A 106 GLU N 1.0 -58.13 -18.13 PSI 113 113 A 105 ALA C A 106 GLU N A 106 GLU CA A 106 GLU C 1.0 -89.45 -49.45 PHI 114 114 A 106 GLU N A 106 GLU CA A 106 GLU C A 107 GLN N 1.0 -49.88 -9.88 PSI 115 115 A 106 GLU C A 107 GLN N A 107 GLN CA A 107 GLN C 1.0 -105.97 -63.43 PHI 116 116 A 107 GLN N A 107 GLN CA A 107 GLN C A 108 GLU N 1.0 -41.57 4.75 PSI 117 117 A 109 PRO N A 109 PRO CA A 109 PRO C A 110 GLU N 1.0 120.61 180.61 PSI 118 118 A 110 GLU N A 110 GLU CA A 110 GLU C A 111 VAL N 1.0 97.36 174.88 PSI 119 119 A 110 GLU C A 111 VAL N A 111 VAL CA A 111 VAL C 1.0 -79.11 -39.11 PHI 120 120 A 111 VAL N A 111 VAL CA A 111 VAL C A 112 GLN N 1.0 -54.81 -14.81 PSI 121 121 A 111 VAL C A 112 GLN N A 112 GLN CA A 112 GLN C 1.0 -86.68 -46.68 PHI 122 122 A 112 GLN N A 112 GLN CA A 112 GLN C A 113 GLU N 1.0 -43.64 -3.64 PSI 123 123 A 112 GLN C A 113 GLU N A 113 GLU CA A 113 GLU C 1.0 -119.08 -79.08 PHI 124 124 A 113 GLU N A 113 GLU CA A 113 GLU C A 114 VAL N 1.0 -46.27 42.11 PSI 125 125 A 113 GLU C A 114 VAL N A 114 VAL CA A 114 VAL C 1.0 -78.48 -38.48 PHI 126 126 A 114 VAL N A 114 VAL CA A 114 VAL C A 115 SER N 1.0 -64.89 -24.89 PSI 127 127 A 114 VAL C A 115 SER N A 115 SER CA A 115 SER C 1.0 -83.10 -43.10 PHI 128 128 A 115 SER N A 115 SER CA A 115 SER C A 116 GLN N 1.0 -60.49 -20.49 PSI 129 129 A 115 SER C A 116 GLN N A 116 GLN CA A 116 GLN C 1.0 -85.43 -45.43 PHI 130 130 A 116 GLN N A 116 GLN CA A 116 GLN C A 117 LEU N 1.0 -60.12 -20.12 PSI 131 131 A 116 GLN C A 117 LEU N A 117 LEU CA A 117 LEU C 1.0 -84.63 -44.63 PHI 132 132 A 117 LEU N A 117 LEU CA A 117 LEU C A 118 PHE N 1.0 -63.80 -23.80 PSI 133 133 A 117 LEU C A 118 PHE N A 118 PHE CA A 118 PHE C 1.0 -83.14 -43.14 PHI 134 134 A 118 PHE N A 118 PHE CA A 118 PHE C A 119 ARG N 1.0 -62.77 -22.77 PSI 135 135 A 118 PHE C A 119 ARG N A 119 ARG CA A 119 ARG C 1.0 -82.01 -42.01 PHI 136 136 A 119 ARG N A 119 ARG CA A 119 ARG C A 120 SER N 1.0 -61.27 -21.27 PSI 137 137 A 119 ARG C A 120 SER N A 120 SER CA A 120 SER C 1.0 -84.89 -44.89 PHI 138 138 A 120 SER N A 120 SER CA A 120 SER C A 121 VAL N 1.0 -58.65 -18.65 PSI 139 139 A 120 SER C A 121 VAL N A 121 VAL CA A 121 VAL C 1.0 -85.73 -45.73 PHI 140 140 A 121 VAL N A 121 VAL CA A 121 VAL C A 122 LEU N 1.0 -63.72 -23.72 PSI 141 141 A 121 VAL C A 122 LEU N A 122 LEU CA A 122 LEU C 1.0 -83.75 -43.75 PHI 142 142 A 122 LEU N A 122 LEU CA A 122 LEU C A 123 GLN N 1.0 -60.76 -20.76 PSI 143 143 A 122 LEU C A 123 GLN N A 123 GLN CA A 123 GLN C 1.0 -83.79 -43.79 PHI 144 144 A 123 GLN N A 123 GLN CA A 123 GLN C A 124 GLU N 1.0 -60.24 -20.24 PSI 145 145 A 123 GLN C A 124 GLU N A 124 GLU CA A 124 GLU C 1.0 -87.69 -47.69 PHI 146 146 A 124 GLU N A 124 GLU CA A 124 GLU C A 125 VAL N 1.0 -61.67 -21.67 PSI 147 147 A 124 GLU C A 125 VAL N A 125 VAL CA A 125 VAL C 1.0 -83.89 -43.89 PHI 148 148 A 125 VAL N A 125 VAL CA A 125 VAL C A 126 LEU N 1.0 -61.88 -21.88 PSI 149 149 A 125 VAL C A 126 LEU N A 126 LEU CA A 126 LEU C 1.0 -83.67 -43.67 PHI 150 150 A 126 LEU N A 126 LEU CA A 126 LEU C A 127 GLU N 1.0 -56.27 -16.27 PSI 151 151 A 128 ARG C A 129 MET N A 129 MET CA A 129 MET C 1.0 -82.55 -42.55 PHI 152 152 A 129 MET N A 129 MET CA A 129 MET C A 130 LYS N 1.0 -62.74 -22.74 PSI 153 153 A 129 MET C A 130 LYS N A 130 LYS CA A 130 LYS C 1.0 -85.64 -45.64 PHI 154 154 A 130 LYS N A 130 LYS CA A 130 LYS C A 131 GLN N 1.0 -56.25 -16.25 PSI 155 155 A 130 LYS C A 131 GLN N A 131 GLN CA A 131 GLN C 1.0 -85.94 -45.94 PHI 156 156 A 131 GLN N A 131 GLN CA A 131 GLN C A 132 GLU N 1.0 -64.11 -24.11 PSI 157 157 A 131 GLN C A 132 GLU N A 132 GLU CA A 132 GLU C 1.0 -86.64 -46.64 PHI 158 158 A 132 GLU N A 132 GLU CA A 132 GLU C A 133 GLU N 1.0 -56.94 -16.94 PSI 159 159 A 132 GLU C A 133 GLU N A 133 GLU CA A 133 GLU C 1.0 -85.71 -45.71 PHI 160 160 A 133 GLU N A 133 GLU CA A 133 GLU C A 134 GLU N 1.0 -62.77 -22.77 PSI 161 161 A 133 GLU C A 134 GLU N A 134 GLU CA A 134 GLU C 1.0 -85.26 -45.26 PHI 162 162 A 134 GLU N A 134 GLU CA A 134 GLU C A 135 ALA N 1.0 -59.80 -19.80 PSI 163 163 A 134 GLU C A 135 ALA N A 135 ALA CA A 135 ALA C 1.0 -85.81 -45.81 PHI 164 164 A 135 ALA N A 135 ALA CA A 135 ALA C A 136 HIS N 1.0 -57.65 -17.65 PSI 165 165 A 135 ALA C A 136 HIS N A 136 HIS CA A 136 HIS C 1.0 -86.79 -46.79 PHI 166 166 A 136 HIS N A 136 HIS CA A 136 HIS C A 137 LYS N 1.0 -56.56 -16.56 PSI 167 167 A 136 HIS C A 137 LYS N A 137 LYS CA A 137 LYS C 1.0 -86.85 -46.85 PHI 168 168 A 137 LYS N A 137 LYS CA A 137 LYS C A 138 LEU N 1.0 -57.92 -17.92 PSI 169 169 A 137 LYS C A 138 LEU N A 138 LEU CA A 138 LEU C 1.0 -90.21 -50.21 PHI 170 170 A 138 LEU N A 138 LEU CA A 138 LEU C A 139 THR N 1.0 -54.12 -14.12 PSI 171 171 A 138 LEU C A 139 THR N A 139 THR CA A 139 THR C 1.0 -91.85 -51.85 PHI 172 172 A 139 THR N A 139 THR CA A 139 THR C A 140 ARG N 1.0 -59.70 3.98 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_6 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_6 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 20 SER H A 20 SER N 1.0 . . . 2 2 A 22 ALA H A 22 ALA N 1.0 . . . 3 3 A 23 GLU H A 23 GLU N 1.0 . . . 4 4 A 24 MET H A 24 MET N 1.0 . . . 5 5 A 25 VAL H A 25 VAL N 1.0 . . . 6 6 A 27 GLU H A 27 GLU N 1.0 . . . 7 7 A 28 THR H A 28 THR N 1.0 . . . 8 8 A 29 LEU H A 29 LEU N 1.0 . . . 9 9 A 30 MET H A 30 MET N 1.0 . . . 10 10 A 31 MET H A 31 MET N 1.0 . . . 11 11 A 33 LEU H A 33 LEU N 1.0 . . . 12 12 A 34 THR H A 34 THR N 1.0 . . . 13 13 A 35 GLY H A 35 GLY N 1.0 . . . 14 14 A 36 GLN H A 36 GLN N 1.0 . . . 15 15 A 37 MET H A 37 MET N 1.0 . . . 16 16 A 38 ARG H A 38 ARG N 1.0 . . . 17 17 A 39 GLU H A 39 GLU N 1.0 . . . 18 18 A 40 ALA H A 40 ALA N 1.0 . . . 19 19 A 41 GLU H A 41 GLU N 1.0 . . . 20 20 A 47 ARG H A 47 ARG N 1.0 . . . 21 21 A 48 SER H A 48 SER N 1.0 . . . 22 22 A 49 ASN H A 49 ASN N 1.0 . . . 23 23 A 50 ALA H A 50 ALA N 1.0 . . . 24 24 A 51 VAL H A 51 VAL N 1.0 . . . 25 25 A 76 ILE H A 76 ILE N 1.0 . . . 26 26 A 77 GLU H A 77 GLU N 1.0 . . . 27 27 A 78 ARG H A 78 ARG N 1.0 . . . 28 28 A 79 LEU H A 79 LEU N 1.0 . . . 29 29 A 80 GLN H A 80 GLN N 1.0 . . . 30 30 A 81 LEU H A 81 LEU N 1.0 . . . 31 31 A 82 GLU H A 82 GLU N 1.0 . . . 32 32 A 83 ASP H A 83 ASP N 1.0 . . . 33 33 A 84 VAL H A 84 VAL N 1.0 . . . 34 34 A 85 CYS H A 85 CYS N 1.0 . . . 35 35 A 86 VAL H A 86 VAL N 1.0 . . . 36 36 A 87 LYS H A 87 LYS N 1.0 . . . 37 37 A 88 ILE H A 88 ILE N 1.0 . . . 38 38 A 89 HIS H A 89 HIS N 1.0 . . . 39 39 A 91 SER H A 91 SER N 1.0 . . . 40 40 A 92 TYR H A 92 TYR N 1.0 . . . 41 41 A 93 CYS H A 93 CYS N 1.0 . . . 42 42 A 94 GLY H A 94 GLY N 1.0 . . . 43 43 A 96 ALA H A 96 ALA N 1.0 . . . 44 44 A 97 ILE H A 97 ILE N 1.0 . . . 45 45 A 98 LEU H A 98 LEU N 1.0 . . . 46 46 A 103 LEU H A 103 LEU N 1.0 . . . 47 47 A 104 LEU H A 104 LEU N 1.0 . . . 48 48 A 105 ALA H A 105 ALA N 1.0 . . . 49 49 A 106 GLU H A 106 GLU N 1.0 . . . 50 50 A 107 GLN H A 107 GLN N 1.0 . . . 51 51 A 110 GLU H A 110 GLU N 1.0 . . . 52 52 A 111 VAL H A 111 VAL N 1.0 . . . 53 53 A 112 GLN H A 112 GLN N 1.0 . . . 54 54 A 114 VAL H A 114 VAL N 1.0 . . . 55 55 A 115 SER H A 115 SER N 1.0 . . . 56 56 A 116 GLN H A 116 GLN N 1.0 . . . 57 57 A 117 LEU H A 117 LEU N 1.0 . . . 58 58 A 118 PHE H A 118 PHE N 1.0 . . . 59 59 A 119 ARG H A 119 ARG N 1.0 . . . 60 60 A 120 SER H A 120 SER N 1.0 . . . 61 61 A 121 VAL H A 121 VAL N 1.0 . . . 62 62 A 122 LEU H A 122 LEU N 1.0 . . . 63 63 A 123 GLN H A 123 GLN N 1.0 . . . 64 64 A 124 GLU H A 124 GLU N 1.0 . . . 65 65 A 126 LEU H A 126 LEU N 1.0 . . . 66 66 A 129 MET H A 129 MET N 1.0 . . . 67 67 A 132 GLU H A 132 GLU N 1.0 . . . 68 68 A 133 GLU H A 133 GLU N 1.0 . . . 69 69 A 134 GLU H A 134 GLU N 1.0 . . . 70 70 A 136 HIS H A 136 HIS N 1.0 . . . 71 71 A 138 LEU H A 138 LEU N 1.0 . . . 72 72 A 139 THR H A 139 THR N 1.0 . . . stop_ save_