data_nef_c34013_5lci save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5LCI stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 15 GLY start . false 2 A 16 ILE middle . . 3 A 17 ASP middle . . 4 A 18 PRO middle . false 5 A 19 PHE middle . . 6 A 20 THR middle . . 7 A 21 GLN middle . . 8 A 22 GLY middle . false 9 A 23 SER middle . . 10 A 24 ALA middle . . 11 A 25 GLY middle . false 12 A 26 SER middle . . 13 A 27 GLY middle . false 14 A 28 ALA middle . . 15 A 29 ILE middle . . 16 A 30 GLY middle . false 17 A 31 PRO middle . false 18 A 32 VAL middle . . 19 A 33 GLU middle . . 20 A 34 ALA middle . . 21 A 35 ALA middle . . 22 A 36 ILE middle . . 23 A 37 ARG middle . . 24 A 38 THR middle . . 25 A 39 LYS middle . . 26 A 40 LEU middle . . 27 A 41 GLU middle . . 28 A 42 GLU middle . . 29 A 43 ALA middle . . 30 A 44 LEU middle . . 31 A 45 SER middle . . 32 A 46 PRO middle . false 33 A 47 GLU middle . . 34 A 48 VAL middle . . 35 A 49 LEU middle . . 36 A 50 GLU middle . . 37 A 51 LEU middle . . 38 A 52 ARG middle . . 39 A 53 ASN middle . . 40 A 54 GLU middle . . 41 A 55 SER middle . . 42 A 56 GLY middle . false 43 A 57 GLY middle . false 44 A 58 HIS middle . . 45 A 59 ALA middle . . 46 A 60 VAL middle . . 47 A 61 PRO middle . false 48 A 62 PRO middle . false 49 A 63 GLY middle . false 50 A 64 SER middle . . 51 A 65 GLU middle . . 52 A 66 THR middle . . 53 A 67 HIS middle . . 54 A 68 PHE middle . . 55 A 69 ARG middle . . 56 A 70 VAL middle . . 57 A 71 ALA middle . . 58 A 72 VAL middle . . 59 A 73 VAL middle . . 60 A 74 SER middle . . 61 A 75 SER middle . . 62 A 76 ARG middle . . 63 A 77 PHE middle . . 64 A 78 GLU middle . . 65 A 79 GLY middle . false 66 A 80 LEU middle . . 67 A 81 SER middle . . 68 A 82 PRO middle . false 69 A 83 LEU middle . . 70 A 84 GLN middle . . 71 A 85 ARG middle . . 72 A 86 HIS middle . . 73 A 87 ARG middle . . 74 A 88 LEU middle . . 75 A 89 VAL middle . . 76 A 90 HIS middle . . 77 A 91 ALA middle . . 78 A 92 ALA middle . . 79 A 93 LEU middle . . 80 A 94 ALA middle . . 81 A 95 GLU middle . . 82 A 96 GLU middle . . 83 A 97 LEU middle . . 84 A 98 GLY middle . false 85 A 99 GLY middle . false 86 A 100 PRO middle . false 87 A 101 VAL middle . . 88 A 102 HIS middle . . 89 A 103 ALA middle . . 90 A 104 LEU middle . . 91 A 105 ALA middle . . 92 A 106 ILE middle . . 93 A 107 GLN middle . . 94 A 108 ALA middle . . 95 A 109 ARG middle . . 96 A 110 THR middle . . 97 A 111 PRO middle . false 98 A 112 ALA middle . . 99 A 113 GLN middle . . 100 A 114 TRP middle . . 101 A 115 ARG middle . . 102 A 116 GLU middle . . 103 A 117 ASN middle . . 104 A 118 SER middle . . 105 A 119 GLN middle . . 106 A 120 LEU middle . . 107 A 121 ASP middle . . 108 A 122 THR middle . . 109 A 123 SER middle . . 110 A 124 PRO middle . false 111 A 125 PRO middle . false 112 A 126 CYS middle . . 113 A 127 LEU middle . . 114 A 128 GLY middle . false 115 A 129 GLY middle . false 116 A 130 ASN middle . . 117 A 131 LYS middle . . 118 A 132 LYS middle . . 119 A 133 THR middle . . 120 A 134 LEU middle . . 121 A 135 GLY middle . false 122 A 136 THR middle . . 123 A 137 PRO end . false stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 16 ILE HA H 1 4.057 0.020 A 16 ILE HB H 1 1.675 0.020 A 16 ILE HD1% H 1 0.730 0.020 A 16 ILE HG1y H 1 1.306 0.020 A 16 ILE HG1x H 1 1.040 0.020 A 16 ILE HG2% H 1 0.748 0.020 A 16 ILE C C 13 174.726 0.300 A 16 ILE CA C 13 59.836 0.300 A 16 ILE CB C 13 37.905 0.300 A 16 ILE CD1 C 13 11.706 0.300 A 16 ILE CG1 C 13 25.858 0.300 A 16 ILE CG2 C 13 16.071 0.300 A 17 ASP H H 1 8.400 0.020 A 17 ASP HA H 1 4.774 0.020 A 17 ASP HBy H 1 2.669 0.020 A 17 ASP HBx H 1 2.471 0.020 A 17 ASP C C 13 173.934 0.300 A 17 ASP CA C 13 50.978 0.300 A 17 ASP CB C 13 40.278 0.300 A 17 ASP N N 15 126.240 0.300 A 18 PRO HA H 1 4.196 0.020 A 18 PRO HBx H 1 1.508 0.020 A 18 PRO HBy H 1 2.018 0.020 A 18 PRO HDy H 1 3.774 0.020 A 18 PRO HDx H 1 3.666 0.020 A 18 PRO HGy H 1 1.804 0.020 A 18 PRO HGx H 1 1.634 0.020 A 18 PRO C C 13 176.142 0.300 A 18 PRO CA C 13 62.616 0.300 A 18 PRO CB C 13 30.783 0.300 A 18 PRO CD C 13 49.848 0.300 A 18 PRO CG C 13 25.475 0.300 A 19 PHE H H 1 8.208 0.020 A 19 PHE HA H 1 4.483 0.020 A 19 PHE HBy H 1 3.084 0.020 A 19 PHE HBx H 1 3.022 0.020 A 19 PHE HD1 H 1 7.160 0.020 A 19 PHE HD2 H 1 7.160 0.020 A 19 PHE C C 13 175.435 0.300 A 19 PHE CA C 13 57.284 0.300 A 19 PHE CB C 13 37.760 0.300 A 19 PHE N N 15 118.391 0.300 A 20 THR H H 1 7.750 0.020 A 20 THR HA H 1 4.193 0.020 A 20 THR HB H 1 4.113 0.020 A 20 THR HG2% H 1 1.098 0.020 A 20 THR C C 13 173.551 0.300 A 20 THR CA C 13 61.056 0.300 A 20 THR CB C 13 68.842 0.300 A 20 THR CG2 C 13 20.490 0.300 A 20 THR N N 15 114.115 0.300 A 21 GLN H H 1 8.164 0.020 A 21 GLN HA H 1 4.208 0.020 A 21 GLN HB2 H 1 1.934 0.020 A 21 GLN HB3 H 1 1.934 0.020 A 21 GLN HE21 H 1 7.225 0.020 A 21 GLN HE22 H 1 6.906 0.020 A 21 GLN HGy H 1 2.258 0.020 A 21 GLN HGx H 1 2.084 0.020 A 21 GLN C C 13 175.444 0.300 A 21 GLN CA C 13 55.171 0.300 A 21 GLN CB C 13 28.307 0.300 A 21 GLN CG C 13 32.329 0.300 A 21 GLN N N 15 122.223 0.300 A 21 GLN NE2 N 15 110.517 0.300 A 22 GLY H H 1 8.323 0.020 A 22 GLY HAy H 1 3.872 0.020 A 22 GLY HAx H 1 3.835 0.020 A 22 GLY C C 13 173.200 0.300 A 22 GLY CA C 13 44.198 0.300 A 22 GLY N N 15 109.739 0.300 A 23 SER H H 1 8.163 0.020 A 23 SER HA H 1 4.361 0.020 A 23 SER HBy H 1 3.764 0.020 A 23 SER HBx H 1 3.674 0.020 A 23 SER C C 13 173.602 0.300 A 23 SER CA C 13 57.280 0.300 A 23 SER CB C 13 62.845 0.300 A 23 SER N N 15 115.460 0.300 A 24 ALA H H 1 8.361 0.020 A 24 ALA HA H 1 4.229 0.020 A 24 ALA HB% H 1 1.283 0.020 A 24 ALA C C 13 177.285 0.300 A 24 ALA CA C 13 51.814 0.300 A 24 ALA CB C 13 17.928 0.300 A 24 ALA N N 15 125.644 0.300 A 25 GLY H H 1 8.273 0.020 A 25 GLY HA2 H 1 3.868 0.020 A 25 GLY HA3 H 1 3.868 0.020 A 25 GLY C C 13 173.430 0.300 A 25 GLY CA C 13 44.217 0.300 A 25 GLY N N 15 107.826 0.300 A 26 SER H H 1 8.211 0.020 A 26 SER HA H 1 4.349 0.020 A 26 SER HBy H 1 3.841 0.020 A 26 SER HBx H 1 3.800 0.020 A 26 SER C C 13 174.147 0.300 A 26 SER CA C 13 57.633 0.300 A 26 SER CB C 13 62.845 0.300 A 26 SER N N 15 115.460 0.300 A 27 GLY H H 1 8.414 0.020 A 27 GLY HAy H 1 3.884 0.020 A 27 GLY HAx H 1 3.832 0.020 A 27 GLY C C 13 172.603 0.300 A 27 GLY CA C 13 44.194 0.300 A 27 GLY N N 15 110.804 0.300 A 28 ALA H H 1 8.011 0.020 A 28 ALA HA H 1 4.269 0.020 A 28 ALA HB% H 1 1.223 0.020 A 28 ALA C C 13 176.295 0.300 A 28 ALA CA C 13 51.227 0.300 A 28 ALA CB C 13 18.371 0.300 A 28 ALA N N 15 123.552 0.300 A 29 ILE H H 1 8.023 0.020 A 29 ILE HA H 1 4.078 0.020 A 29 ILE HB H 1 1.685 0.020 A 29 ILE HD1% H 1 0.725 0.020 A 29 ILE HG1x H 1 1.120 0.020 A 29 ILE HG1y H 1 1.417 0.020 A 29 ILE HG2% H 1 0.863 0.020 A 29 ILE C C 13 175.432 0.300 A 29 ILE CA C 13 60.032 0.300 A 29 ILE CB C 13 38.049 0.300 A 29 ILE CD1 C 13 11.702 0.300 A 29 ILE CG1 C 13 25.514 0.300 A 29 ILE CG2 C 13 16.077 0.300 A 29 ILE N N 15 120.372 0.300 A 30 GLY H H 1 8.237 0.020 A 30 GLY HA2 H 1 3.845 0.020 A 30 GLY HA3 H 1 3.845 0.020 A 30 GLY C C 13 170.367 0.300 A 30 GLY CA C 13 44.199 0.300 A 30 GLY N N 15 114.980 0.300 A 31 PRO HA H 1 4.241 0.020 A 31 PRO HBy H 1 2.194 0.020 A 31 PRO HBx H 1 1.829 0.020 A 31 PRO HDy H 1 3.686 0.020 A 31 PRO HDx H 1 3.561 0.020 A 31 PRO HGy H 1 1.906 0.020 A 31 PRO HGx H 1 1.830 0.020 A 31 PRO C C 13 179.833 0.300 A 31 PRO CA C 13 63.567 0.300 A 31 PRO CB C 13 30.720 0.300 A 31 PRO CD C 13 48.535 0.300 A 31 PRO CG C 13 26.081 0.300 A 32 VAL H H 1 10.135 0.020 A 32 VAL HA H 1 3.576 0.020 A 32 VAL HB H 1 1.868 0.020 A 32 VAL HG1% H 1 0.925 0.020 A 32 VAL HG2% H 1 0.654 0.020 A 32 VAL C C 13 176.373 0.300 A 32 VAL CA C 13 65.416 0.300 A 32 VAL CB C 13 29.707 0.300 A 32 VAL CG1 C 13 21.716 0.300 A 32 VAL CG2 C 13 19.840 0.300 A 32 VAL N N 15 126.023 0.300 A 33 GLU H H 1 9.082 0.020 A 33 GLU HA H 1 3.011 0.020 A 33 GLU HBy H 1 2.211 0.020 A 33 GLU HBx H 1 2.009 0.020 A 33 GLU HGy H 1 2.277 0.020 A 33 GLU HGx H 1 2.036 0.020 A 33 GLU C C 13 177.086 0.300 A 33 GLU CA C 13 59.002 0.300 A 33 GLU CB C 13 28.143 0.300 A 33 GLU CG C 13 35.485 0.300 A 33 GLU N N 15 123.469 0.300 A 34 ALA H H 1 8.234 0.020 A 34 ALA HA H 1 3.804 0.020 A 34 ALA HB% H 1 1.249 0.020 A 34 ALA C C 13 179.077 0.300 A 34 ALA CA C 13 54.093 0.300 A 34 ALA CB C 13 17.029 0.300 A 34 ALA N N 15 118.414 0.300 A 35 ALA H H 1 7.473 0.020 A 35 ALA HA H 1 3.980 0.020 A 35 ALA HB% H 1 1.340 0.020 A 35 ALA C C 13 178.502 0.300 A 35 ALA CA C 13 54.091 0.300 A 35 ALA CB C 13 17.117 0.300 A 35 ALA N N 15 121.991 0.300 A 36 ILE H H 1 8.331 0.020 A 36 ILE HA H 1 3.192 0.020 A 36 ILE HB H 1 1.418 0.020 A 36 ILE HD1% H 1 -0.335 0.020 A 36 ILE HG1y H 1 1.533 0.020 A 36 ILE HG1x H 1 0.429 0.020 A 36 ILE HG2% H 1 0.428 0.020 A 36 ILE C C 13 176.731 0.300 A 36 ILE CA C 13 64.220 0.300 A 36 ILE CB C 13 36.271 0.300 A 36 ILE CD1 C 13 11.718 0.300 A 36 ILE CG1 C 13 26.732 0.300 A 36 ILE CG2 C 13 16.099 0.300 A 36 ILE N N 15 117.133 0.300 A 37 ARG H H 1 8.001 0.020 A 37 ARG HA H 1 3.472 0.020 A 37 ARG HB2 H 1 1.679 0.020 A 37 ARG HB3 H 1 1.679 0.020 A 37 ARG HDy H 1 3.187 0.020 A 37 ARG HDx H 1 2.998 0.020 A 37 ARG HGy H 1 1.416 0.020 A 37 ARG HGx H 1 1.308 0.020 A 37 ARG C C 13 176.737 0.300 A 37 ARG CA C 13 59.835 0.300 A 37 ARG CB C 13 28.373 0.300 A 37 ARG CD C 13 41.703 0.300 A 37 ARG CG C 13 26.138 0.300 A 37 ARG N N 15 117.741 0.300 A 38 THR H H 1 7.939 0.020 A 38 THR HA H 1 3.746 0.020 A 38 THR HB H 1 4.009 0.020 A 38 THR HG2% H 1 1.107 0.020 A 38 THR C C 13 175.906 0.300 A 38 THR CA C 13 65.596 0.300 A 38 THR CB C 13 68.035 0.300 A 38 THR CG2 C 13 20.464 0.300 A 38 THR N N 15 114.140 0.300 A 39 LYS H H 1 8.371 0.020 A 39 LYS HA H 1 3.917 0.020 A 39 LYS HB2 H 1 1.531 0.020 A 39 LYS HB3 H 1 1.531 0.020 A 39 LYS HD2 H 1 1.459 0.020 A 39 LYS HD3 H 1 1.459 0.020 A 39 LYS HEy H 1 2.910 0.020 A 39 LYS HEx H 1 2.748 0.020 A 39 LYS HGy H 1 1.284 0.020 A 39 LYS HGx H 1 1.273 0.020 A 39 LYS C C 13 180.050 0.300 A 39 LYS CA C 13 58.868 0.300 A 39 LYS CB C 13 32.020 0.300 A 39 LYS CD C 13 27.972 0.300 A 39 LYS CE C 13 41.093 0.300 A 39 LYS CG C 13 26.096 0.300 A 39 LYS N N 15 120.099 0.300 A 40 LEU H H 1 8.385 0.020 A 40 LEU HA H 1 3.958 0.020 A 40 LEU HBy H 1 1.933 0.020 A 40 LEU HBx H 1 0.950 0.020 A 40 LEU HD1% H 1 0.671 0.020 A 40 LEU HD2% H 1 0.602 0.020 A 40 LEU HG H 1 2.003 0.020 A 40 LEU C C 13 178.264 0.300 A 40 LEU CA C 13 56.674 0.300 A 40 LEU CB C 13 40.290 0.300 A 40 LEU CD1 C 13 21.055 0.300 A 40 LEU CD2 C 13 26.007 0.300 A 40 LEU CG C 13 25.390 0.300 A 40 LEU N N 15 117.945 0.300 A 41 GLU H H 1 8.393 0.020 A 41 GLU HA H 1 3.610 0.020 A 41 GLU HBy H 1 2.083 0.020 A 41 GLU HBx H 1 1.872 0.020 A 41 GLU HGy H 1 2.267 0.020 A 41 GLU HGx H 1 2.024 0.020 A 41 GLU C C 13 178.614 0.300 A 41 GLU CA C 13 58.750 0.300 A 41 GLU CB C 13 27.968 0.300 A 41 GLU CG C 13 35.464 0.300 A 41 GLU N N 15 120.995 0.300 A 42 GLU H H 1 7.822 0.020 A 42 GLU HA H 1 3.883 0.020 A 42 GLU HBy H 1 1.956 0.020 A 42 GLU HBx H 1 1.892 0.020 A 42 GLU HGy H 1 2.304 0.020 A 42 GLU HGx H 1 2.148 0.020 A 42 GLU C C 13 177.441 0.300 A 42 GLU CA C 13 57.904 0.300 A 42 GLU CB C 13 28.608 0.300 A 42 GLU CG C 13 34.867 0.300 A 42 GLU N N 15 117.476 0.300 A 43 ALA H H 1 7.833 0.020 A 43 ALA HA H 1 4.149 0.020 A 43 ALA HB% H 1 1.313 0.020 A 43 ALA C C 13 178.857 0.300 A 43 ALA CA C 13 53.390 0.300 A 43 ALA CB C 13 18.731 0.300 A 43 ALA N N 15 116.856 0.300 A 44 LEU H H 1 7.858 0.020 A 44 LEU HA H 1 4.306 0.020 A 44 LEU HBy H 1 1.586 0.020 A 44 LEU HBx H 1 0.965 0.020 A 44 LEU HD1% H 1 0.743 0.020 A 44 LEU HD2% H 1 0.487 0.020 A 44 LEU HG H 1 1.410 0.020 A 44 LEU C C 13 175.119 0.300 A 44 LEU CA C 13 52.723 0.300 A 44 LEU CB C 13 42.702 0.300 A 44 LEU CD1 C 13 26.661 0.300 A 44 LEU CD2 C 13 21.703 0.300 A 44 LEU CG C 13 26.658 0.300 A 44 LEU N N 15 111.370 0.300 A 45 SER H H 1 7.707 0.020 A 45 SER HA H 1 4.171 0.020 A 45 SER HBy H 1 3.826 0.020 A 45 SER HBx H 1 3.659 0.020 A 45 SER CA C 13 56.912 0.300 A 45 SER CB C 13 61.651 0.300 A 45 SER N N 15 114.206 0.300 A 46 PRO HA H 1 4.169 0.020 A 46 PRO HBy H 1 2.240 0.020 A 46 PRO HBx H 1 1.811 0.020 A 46 PRO HDy H 1 3.776 0.020 A 46 PRO HDx H 1 3.661 0.020 A 46 PRO HG2 H 1 1.913 0.020 A 46 PRO HG3 H 1 1.913 0.020 A 46 PRO C C 13 176.000 0.300 A 46 PRO CA C 13 61.821 0.300 A 46 PRO CB C 13 32.042 0.300 A 46 PRO CD C 13 49.829 0.300 A 46 PRO CG C 13 25.965 0.300 A 47 GLU H H 1 8.227 0.020 A 47 GLU HA H 1 4.033 0.020 A 47 GLU HBy H 1 1.769 0.020 A 47 GLU HBx H 1 1.524 0.020 A 47 GLU HGy H 1 2.159 0.020 A 47 GLU HGx H 1 2.140 0.020 A 47 GLU C C 13 175.673 0.300 A 47 GLU CA C 13 57.093 0.300 A 47 GLU CB C 13 29.578 0.300 A 47 GLU CG C 13 35.472 0.300 A 47 GLU N N 15 121.230 0.300 A 48 VAL H H 1 6.860 0.020 A 48 VAL HA H 1 3.842 0.020 A 48 VAL HB H 1 0.914 0.020 A 48 VAL HG1% H 1 0.464 0.020 A 48 VAL HG2% H 1 0.182 0.020 A 48 VAL C C 13 172.596 0.300 A 48 VAL CA C 13 60.453 0.300 A 48 VAL CB C 13 34.761 0.300 A 48 VAL CG1 C 13 19.246 0.300 A 48 VAL CG2 C 13 18.700 0.300 A 48 VAL N N 15 115.049 0.300 A 49 LEU H H 1 8.698 0.020 A 49 LEU HA H 1 4.790 0.020 A 49 LEU HBy H 1 1.719 0.020 A 49 LEU HBx H 1 0.995 0.020 A 49 LEU HD1% H 1 0.783 0.020 A 49 LEU HD2% H 1 0.687 0.020 A 49 LEU HG H 1 1.418 0.020 A 49 LEU C C 13 172.945 0.300 A 49 LEU CA C 13 53.512 0.300 A 49 LEU CB C 13 42.548 0.300 A 49 LEU CD1 C 13 26.051 0.300 A 49 LEU CD2 C 13 23.931 0.300 A 49 LEU CG C 13 25.189 0.300 A 49 LEU N N 15 128.551 0.300 A 50 GLU H H 1 9.050 0.020 A 50 GLU HA H 1 4.619 0.020 A 50 GLU HBy H 1 1.872 0.020 A 50 GLU HBx H 1 1.808 0.020 A 50 GLU HGy H 1 2.098 0.020 A 50 GLU HGx H 1 1.995 0.020 A 50 GLU C C 13 173.306 0.300 A 50 GLU CA C 13 53.702 0.300 A 50 GLU CB C 13 30.797 0.300 A 50 GLU CG C 13 34.213 0.300 A 50 GLU N N 15 127.498 0.300 A 51 LEU H H 1 8.719 0.020 A 51 LEU HA H 1 5.190 0.020 A 51 LEU HBy H 1 1.464 0.020 A 51 LEU HBx H 1 1.344 0.020 A 51 LEU HD1% H 1 0.664 0.020 A 51 LEU HD2% H 1 0.672 0.020 A 51 LEU HG H 1 1.414 0.020 A 51 LEU C C 13 174.494 0.300 A 51 LEU CA C 13 52.591 0.300 A 51 LEU CB C 13 44.625 0.300 A 51 LEU CD1 C 13 26.181 0.300 A 51 LEU CD2 C 13 24.223 0.300 A 51 LEU CG C 13 25.811 0.300 A 51 LEU N N 15 126.748 0.300 A 52 ARG H H 1 8.933 0.020 A 52 ARG HA H 1 4.699 0.020 A 52 ARG HBy H 1 1.683 0.020 A 52 ARG HBx H 1 1.654 0.020 A 52 ARG HDy H 1 3.162 0.020 A 52 ARG HDx H 1 3.080 0.020 A 52 ARG HG2 H 1 1.525 0.020 A 52 ARG HG3 H 1 1.525 0.020 A 52 ARG C C 13 173.668 0.300 A 52 ARG CA C 13 53.505 0.300 A 52 ARG CB C 13 32.712 0.300 A 52 ARG CD C 13 42.283 0.300 A 52 ARG CG C 13 25.699 0.300 A 52 ARG N N 15 122.217 0.300 A 53 ASN H H 1 9.374 0.020 A 53 ASN HA H 1 4.118 0.020 A 53 ASN HBy H 1 3.173 0.020 A 53 ASN HBx H 1 2.555 0.020 A 53 ASN HD21 H 1 7.444 0.020 A 53 ASN HD22 H 1 8.173 0.020 A 53 ASN C C 13 175.204 0.300 A 53 ASN CA C 13 51.909 0.300 A 53 ASN CB C 13 36.522 0.300 A 53 ASN N N 15 124.501 0.300 A 53 ASN ND2 N 15 111.903 0.300 A 54 GLU H H 1 8.678 0.020 A 54 GLU HA H 1 4.522 0.020 A 54 GLU HB2 H 1 2.133 0.020 A 54 GLU HB3 H 1 2.133 0.020 A 54 GLU HGy H 1 2.032 0.020 A 54 GLU HGx H 1 1.883 0.020 A 54 GLU C C 13 176.074 0.300 A 54 GLU CA C 13 54.254 0.300 A 54 GLU CB C 13 28.582 0.300 A 54 GLU CG C 13 35.478 0.300 A 54 GLU N N 15 127.890 0.300 A 55 SER H H 1 8.502 0.020 A 55 SER HA H 1 3.971 0.020 A 55 SER HB2 H 1 3.632 0.020 A 55 SER HB3 H 1 3.632 0.020 A 55 SER C C 13 173.664 0.300 A 55 SER CA C 13 61.090 0.300 A 55 SER CB C 13 62.028 0.300 A 55 SER N N 15 118.067 0.300 A 56 GLY H H 1 8.590 0.020 A 56 GLY HA2 H 1 3.663 0.020 A 56 GLY HA3 H 1 3.663 0.020 A 56 GLY C C 13 173.686 0.300 A 56 GLY CA C 13 44.980 0.300 A 56 GLY N N 15 106.234 0.300 A 57 GLY H H 1 7.713 0.020 A 57 GLY HAy H 1 3.957 0.020 A 57 GLY HAx H 1 3.517 0.020 A 57 GLY C C 13 172.606 0.300 A 57 GLY CA C 13 43.611 0.300 A 57 GLY N N 15 107.120 0.300 A 58 HIS H H 1 7.744 0.020 A 58 HIS HA H 1 4.409 0.020 A 58 HIS HBy H 1 2.800 0.020 A 58 HIS HBx H 1 2.498 0.020 A 58 HIS HD2 H 1 6.640 0.020 A 58 HIS HE1 H 1 7.770 0.020 A 58 HIS C C 13 173.448 0.300 A 58 HIS CA C 13 54.679 0.300 A 58 HIS CB C 13 30.513 0.300 A 58 HIS N N 15 118.651 0.300 A 58 HIS ND1 N 15 205.549 0.300 A 58 HIS NE2 N 15 177.860 0.300 A 59 ALA H H 1 8.537 0.020 A 59 ALA HA H 1 4.336 0.020 A 59 ALA HB% H 1 1.225 0.020 A 59 ALA C C 13 175.322 0.300 A 59 ALA CA C 13 50.991 0.300 A 59 ALA CB C 13 15.432 0.300 A 59 ALA N N 15 125.186 0.300 A 60 VAL H H 1 7.735 0.020 A 60 VAL HA H 1 4.641 0.020 A 60 VAL HB H 1 2.182 0.020 A 60 VAL HG1% H 1 0.886 0.020 A 60 VAL HG2% H 1 0.714 0.020 A 60 VAL C C 13 173.310 0.300 A 60 VAL CA C 13 57.666 0.300 A 60 VAL CB C 13 31.348 0.300 A 60 VAL CG1 C 13 20.477 0.300 A 60 VAL CG2 C 13 17.346 0.300 A 60 VAL N N 15 115.770 0.300 A 62 PRO HA H 1 4.322 0.020 A 62 PRO HBy H 1 2.238 0.020 A 62 PRO HBx H 1 1.722 0.020 A 62 PRO HD2 H 1 3.535 0.020 A 62 PRO HD3 H 1 3.535 0.020 A 62 PRO HG2 H 1 1.810 0.020 A 62 PRO HG3 H 1 1.810 0.020 A 62 PRO C C 13 176.386 0.300 A 62 PRO CA C 13 62.813 0.300 A 62 PRO CB C 13 30.503 0.300 A 62 PRO CD C 13 49.964 0.300 A 62 PRO CG C 13 26.125 0.300 A 63 GLY H H 1 8.673 0.020 A 63 GLY HAy H 1 4.046 0.020 A 63 GLY HAx H 1 3.675 0.020 A 63 GLY C C 13 174.131 0.300 A 63 GLY CA C 13 44.279 0.300 A 63 GLY N N 15 111.675 0.300 A 64 SER H H 1 7.656 0.020 A 64 SER HA H 1 4.238 0.020 A 64 SER HBy H 1 3.881 0.020 A 64 SER HBx H 1 3.764 0.020 A 64 SER C C 13 172.134 0.300 A 64 SER CA C 13 59.868 0.300 A 64 SER CB C 13 63.952 0.300 A 64 SER N N 15 115.703 0.300 A 65 GLU H H 1 8.983 0.020 A 65 GLU HA H 1 4.152 0.020 A 65 GLU HBy H 1 2.177 0.020 A 65 GLU HBx H 1 2.025 0.020 A 65 GLU HG2 H 1 2.149 0.020 A 65 GLU HG3 H 1 2.149 0.020 A 65 GLU C C 13 171.660 0.300 A 65 GLU CA C 13 54.581 0.300 A 65 GLU CB C 13 30.254 0.300 A 65 GLU CG C 13 34.869 0.300 A 65 GLU N N 15 125.121 0.300 A 66 THR H H 1 7.702 0.020 A 66 THR HA H 1 4.500 0.020 A 66 THR HB H 1 3.250 0.020 A 66 THR HG2% H 1 0.849 0.020 A 66 THR C C 13 175.091 0.300 A 66 THR CA C 13 61.256 0.300 A 66 THR CB C 13 68.314 0.300 A 66 THR CG2 C 13 22.608 0.300 A 66 THR N N 15 106.975 0.300 A 67 HIS H H 1 7.678 0.020 A 67 HIS HA H 1 5.147 0.020 A 67 HIS HBx H 1 2.052 0.020 A 67 HIS HBy H 1 2.615 0.020 A 67 HIS HD2 H 1 6.292 0.020 A 67 HIS HE1 H 1 7.236 0.020 A 67 HIS C C 13 173.076 0.300 A 67 HIS CA C 13 55.492 0.300 A 67 HIS CB C 13 31.593 0.300 A 67 HIS N N 15 121.942 0.300 A 67 HIS ND1 N 15 217.336 0.300 A 67 HIS NE2 N 15 175.652 0.300 A 68 PHE H H 1 8.093 0.020 A 68 PHE HA H 1 5.357 0.020 A 68 PHE HBy H 1 2.562 0.020 A 68 PHE HBx H 1 2.372 0.020 A 68 PHE HD1 H 1 6.710 0.020 A 68 PHE HD2 H 1 6.710 0.020 A 68 PHE HE1 H 1 7.050 0.020 A 68 PHE HE2 H 1 7.050 0.020 A 68 PHE C C 13 174.024 0.300 A 68 PHE CA C 13 55.481 0.300 A 68 PHE CB C 13 44.183 0.300 A 68 PHE N N 15 117.310 0.300 A 69 ARG H H 1 9.149 0.020 A 69 ARG HA H 1 5.079 0.020 A 69 ARG HB2 H 1 1.617 0.020 A 69 ARG HB3 H 1 1.617 0.020 A 69 ARG HDy H 1 3.122 0.020 A 69 ARG HDx H 1 2.874 0.020 A 69 ARG HG2 H 1 1.309 0.020 A 69 ARG HG3 H 1 1.309 0.020 A 69 ARG C C 13 173.430 0.300 A 69 ARG CA C 13 53.900 0.300 A 69 ARG CB C 13 31.816 0.300 A 69 ARG CD C 13 41.717 0.300 A 69 ARG CG C 13 26.098 0.300 A 69 ARG N N 15 123.132 0.300 A 70 VAL H H 1 9.131 0.020 A 70 VAL HA H 1 4.980 0.020 A 70 VAL HB H 1 1.683 0.020 A 70 VAL HG1% H 1 0.621 0.020 A 70 VAL HG2% H 1 0.627 0.020 A 70 VAL C C 13 171.420 0.300 A 70 VAL CA C 13 58.075 0.300 A 70 VAL CB C 13 34.604 0.300 A 70 VAL CG1 C 13 20.461 0.300 A 70 VAL CG2 C 13 19.222 0.300 A 70 VAL N N 15 124.694 0.300 A 71 ALA H H 1 8.968 0.020 A 71 ALA HA H 1 5.290 0.020 A 71 ALA HB% H 1 1.200 0.020 A 71 ALA C C 13 174.318 0.300 A 71 ALA CA C 13 49.540 0.300 A 71 ALA CB C 13 18.959 0.300 A 71 ALA N N 15 131.532 0.300 A 72 VAL H H 1 8.722 0.020 A 72 VAL HA H 1 4.802 0.020 A 72 VAL HB H 1 1.815 0.020 A 72 VAL HG1% H 1 0.841 0.020 A 72 VAL HG2% H 1 0.910 0.020 A 72 VAL C C 13 171.774 0.300 A 72 VAL CA C 13 57.503 0.300 A 72 VAL CB C 13 33.692 0.300 A 72 VAL CG1 C 13 20.475 0.300 A 72 VAL CG2 C 13 17.967 0.300 A 72 VAL N N 15 119.833 0.300 A 73 VAL H H 1 8.270 0.020 A 73 VAL HA H 1 5.232 0.020 A 73 VAL HB H 1 1.344 0.020 A 73 VAL HG1% H 1 0.447 0.020 A 73 VAL HG2% H 1 -0.102 0.020 A 73 VAL C C 13 175.080 0.300 A 73 VAL CA C 13 58.359 0.300 A 73 VAL CB C 13 31.887 0.300 A 73 VAL CG1 C 13 19.189 0.300 A 73 VAL CG2 C 13 17.965 0.300 A 73 VAL N N 15 128.896 0.300 A 74 SER H H 1 8.037 0.020 A 74 SER HA H 1 5.054 0.020 A 74 SER HBy H 1 2.997 0.020 A 74 SER HBx H 1 2.061 0.020 A 74 SER C C 13 175.041 0.300 A 74 SER CA C 13 54.874 0.300 A 74 SER CB C 13 63.109 0.300 A 74 SER N N 15 116.427 0.300 A 75 SER H H 1 9.723 0.020 A 75 SER HA H 1 4.546 0.020 A 75 SER HBy H 1 3.939 0.020 A 75 SER HBx H 1 3.856 0.020 A 75 SER CA C 13 60.248 0.300 A 75 SER CB C 13 61.623 0.300 A 75 SER N N 15 128.555 0.300 A 76 ARG H H 1 8.243 0.020 A 76 ARG HA H 1 4.009 0.020 A 76 ARG HBy H 1 1.482 0.020 A 76 ARG HBx H 1 1.186 0.020 A 76 ARG HD2 H 1 3.025 0.020 A 76 ARG HD3 H 1 3.025 0.020 A 76 ARG HG2 H 1 1.437 0.020 A 76 ARG HG3 H 1 1.437 0.020 A 76 ARG C C 13 175.497 0.300 A 76 ARG CA C 13 55.962 0.300 A 76 ARG CB C 13 27.764 0.300 A 76 ARG CD C 13 41.107 0.300 A 76 ARG CG C 13 25.774 0.300 A 76 ARG N N 15 121.216 0.300 A 77 PHE H H 1 6.903 0.020 A 77 PHE HA H 1 4.608 0.020 A 77 PHE HBy H 1 3.055 0.020 A 77 PHE HBx H 1 2.927 0.020 A 77 PHE HD1 H 1 7.152 0.020 A 77 PHE HD2 H 1 7.152 0.020 A 77 PHE HE1 H 1 7.280 0.020 A 77 PHE HE2 H 1 7.280 0.020 A 77 PHE HZ H 1 6.737 0.020 A 77 PHE C C 13 174.604 0.300 A 77 PHE CA C 13 53.305 0.300 A 77 PHE CB C 13 36.565 0.300 A 77 PHE N N 15 111.783 0.300 A 78 GLU H H 1 7.364 0.020 A 78 GLU HA H 1 3.858 0.020 A 78 GLU HBy H 1 2.059 0.020 A 78 GLU HBx H 1 1.960 0.020 A 78 GLU HG2 H 1 2.230 0.020 A 78 GLU HG3 H 1 2.230 0.020 A 78 GLU C C 13 176.136 0.300 A 78 GLU CA C 13 57.290 0.300 A 78 GLU CB C 13 28.038 0.300 A 78 GLU CG C 13 34.850 0.300 A 78 GLU N N 15 120.646 0.300 A 79 GLY H H 1 8.940 0.020 A 79 GLY HAy H 1 4.114 0.020 A 79 GLY HAx H 1 3.614 0.020 A 79 GLY C C 13 172.765 0.300 A 79 GLY CA C 13 44.406 0.300 A 79 GLY N N 15 114.223 0.300 A 80 LEU H H 1 7.821 0.020 A 80 LEU HA H 1 4.688 0.020 A 80 LEU HBy H 1 1.730 0.020 A 80 LEU HBx H 1 1.373 0.020 A 80 LEU HD1% H 1 0.841 0.020 A 80 LEU HD2% H 1 0.736 0.020 A 80 LEU HG H 1 1.533 0.020 A 80 LEU C C 13 177.334 0.300 A 80 LEU CA C 13 52.507 0.300 A 80 LEU CB C 13 42.139 0.300 A 80 LEU CD1 C 13 24.782 0.300 A 80 LEU CD2 C 13 21.735 0.300 A 80 LEU CG C 13 26.414 0.300 A 80 LEU N N 15 119.935 0.300 A 81 SER H H 1 9.220 0.020 A 81 SER HA H 1 4.568 0.020 A 81 SER HBy H 1 3.773 0.020 A 81 SER HBx H 1 3.674 0.020 A 81 SER C C 13 171.879 0.300 A 81 SER CA C 13 55.672 0.300 A 81 SER CB C 13 61.421 0.300 A 81 SER N N 15 122.783 0.300 A 83 LEU HA H 1 3.778 0.020 A 83 LEU HBy H 1 1.496 0.020 A 83 LEU HBx H 1 1.402 0.020 A 83 LEU C C 13 178.680 0.300 A 83 LEU CA C 13 57.248 0.300 A 83 LEU CB C 13 40.924 0.300 A 84 GLN H H 1 7.502 0.020 A 84 GLN HA H 1 3.746 0.020 A 84 GLN HB2 H 1 2.323 0.020 A 84 GLN HB3 H 1 2.323 0.020 A 84 GLN HE21 H 1 7.510 0.020 A 84 GLN HE22 H 1 6.870 0.020 A 84 GLN HG2 H 1 2.360 0.020 A 84 GLN HG3 H 1 2.360 0.020 A 84 GLN C C 13 178.742 0.300 A 84 GLN CA C 13 57.851 0.300 A 84 GLN CB C 13 28.325 0.300 A 84 GLN CG C 13 33.919 0.300 A 84 GLN N N 15 117.533 0.300 A 84 GLN NE2 N 15 111.997 0.300 A 85 ARG H H 1 8.387 0.020 A 85 ARG HA H 1 3.637 0.020 A 85 ARG HB2 H 1 1.665 0.020 A 85 ARG HB3 H 1 1.665 0.020 A 85 ARG HD2 H 1 2.741 0.020 A 85 ARG HD3 H 1 2.741 0.020 A 85 ARG HG2 H 1 1.622 0.020 A 85 ARG HG3 H 1 1.622 0.020 A 85 ARG C C 13 176.738 0.300 A 85 ARG CA C 13 58.623 0.300 A 85 ARG CB C 13 28.588 0.300 A 85 ARG CD C 13 42.354 0.300 A 85 ARG CG C 13 26.138 0.300 A 85 ARG N N 15 119.090 0.300 A 86 HIS H H 1 8.168 0.020 A 86 HIS HA H 1 3.743 0.020 A 86 HIS HBy H 1 2.999 0.020 A 86 HIS HBx H 1 2.737 0.020 A 86 HIS HD2 H 1 6.326 0.020 A 86 HIS HE1 H 1 7.650 0.020 A 86 HIS C C 13 176.620 0.300 A 86 HIS CA C 13 58.476 0.300 A 86 HIS CB C 13 28.854 0.300 A 86 HIS N N 15 117.679 0.300 A 86 HIS ND1 N 15 216.185 0.300 A 86 HIS NE2 N 15 193.886 0.300 A 87 ARG H H 1 8.134 0.020 A 87 ARG HA H 1 3.862 0.020 A 87 ARG HB2 H 1 1.790 0.020 A 87 ARG HB3 H 1 1.790 0.020 A 87 ARG HDy H 1 3.051 0.020 A 87 ARG HDx H 1 2.751 0.020 A 87 ARG HG2 H 1 1.745 0.020 A 87 ARG HG3 H 1 1.745 0.020 A 87 ARG C C 13 177.898 0.300 A 87 ARG CA C 13 58.676 0.300 A 87 ARG CB C 13 28.595 0.300 A 87 ARG CD C 13 42.341 0.300 A 87 ARG CG C 13 26.105 0.300 A 87 ARG N N 15 117.884 0.300 A 88 LEU H H 1 7.445 0.020 A 88 LEU HA H 1 4.022 0.020 A 88 LEU HBy H 1 1.928 0.020 A 88 LEU HBx H 1 1.597 0.020 A 88 LEU HD1% H 1 0.739 0.020 A 88 LEU HD2% H 1 0.753 0.020 A 88 LEU HG H 1 1.726 0.020 A 88 LEU C C 13 178.767 0.300 A 88 LEU CA C 13 57.075 0.300 A 88 LEU CB C 13 41.621 0.300 A 88 LEU CD1 C 13 23.625 0.300 A 88 LEU CD2 C 13 22.342 0.300 A 88 LEU CG C 13 25.480 0.300 A 88 LEU N N 15 119.378 0.300 A 89 VAL H H 1 7.278 0.020 A 89 VAL HA H 1 3.268 0.020 A 89 VAL HB H 1 2.119 0.020 A 89 VAL HG1% H 1 0.928 0.020 A 89 VAL HG2% H 1 0.661 0.020 A 89 VAL C C 13 175.798 0.300 A 89 VAL CA C 13 65.790 0.300 A 89 VAL CB C 13 30.221 0.300 A 89 VAL CG1 C 13 20.813 0.300 A 89 VAL CG2 C 13 20.453 0.300 A 89 VAL N N 15 118.781 0.300 A 90 HIS H H 1 8.539 0.020 A 90 HIS HA H 1 3.755 0.020 A 90 HIS HBy H 1 2.927 0.020 A 90 HIS HBx H 1 2.870 0.020 A 90 HIS HD2 H 1 6.431 0.020 A 90 HIS HE1 H 1 7.597 0.020 A 90 HIS C C 13 177.574 0.300 A 90 HIS CA C 13 58.305 0.300 A 90 HIS CB C 13 29.490 0.300 A 90 HIS N N 15 117.136 0.300 A 90 HIS ND1 N 15 223.905 0.300 A 90 HIS NE2 N 15 187.512 0.300 A 91 ALA H H 1 8.211 0.020 A 91 ALA HA H 1 3.984 0.020 A 91 ALA HB% H 1 1.374 0.020 A 91 ALA C C 13 179.541 0.300 A 91 ALA CA C 13 53.809 0.300 A 91 ALA CB C 13 16.933 0.300 A 91 ALA N N 15 119.713 0.300 A 92 ALA H H 1 7.250 0.020 A 92 ALA HA H 1 4.114 0.020 A 92 ALA HB% H 1 1.189 0.020 A 92 ALA C C 13 177.662 0.300 A 92 ALA CA C 13 52.911 0.300 A 92 ALA CB C 13 16.811 0.300 A 92 ALA N N 15 119.064 0.300 A 93 LEU H H 1 7.199 0.020 A 93 LEU HA H 1 4.789 0.020 A 93 LEU HBy H 1 1.556 0.020 A 93 LEU HBx H 1 1.441 0.020 A 93 LEU HD1% H 1 0.636 0.020 A 93 LEU HD2% H 1 0.617 0.020 A 93 LEU C C 13 175.249 0.300 A 93 LEU CA C 13 51.539 0.300 A 93 LEU CB C 13 40.365 0.300 A 93 LEU CD1 C 13 22.608 0.300 A 93 LEU CD2 C 13 22.193 0.300 A 93 LEU CG C 13 26.106 0.300 A 93 LEU N N 15 115.332 0.300 A 94 ALA H H 1 6.918 0.020 A 94 ALA HA H 1 3.768 0.020 A 94 ALA HB% H 1 1.312 0.020 A 94 ALA C C 13 179.890 0.300 A 94 ALA CA C 13 55.090 0.300 A 94 ALA CB C 13 17.766 0.300 A 94 ALA N N 15 122.148 0.300 A 95 GLU H H 1 8.568 0.020 A 95 GLU HA H 1 3.798 0.020 A 95 GLU HB2 H 1 1.683 0.020 A 95 GLU HB3 H 1 1.683 0.020 A 95 GLU HG2 H 1 2.149 0.020 A 95 GLU HG3 H 1 2.149 0.020 A 95 GLU C C 13 177.905 0.300 A 95 GLU CA C 13 58.077 0.300 A 95 GLU CB C 13 28.039 0.300 A 95 GLU CG C 13 34.833 0.300 A 95 GLU N N 15 116.600 0.300 A 96 GLU H H 1 8.336 0.020 A 96 GLU HA H 1 3.765 0.020 A 96 GLU HBy H 1 2.175 0.020 A 96 GLU HBx H 1 1.434 0.020 A 96 GLU HGy H 1 2.074 0.020 A 96 GLU HGx H 1 1.944 0.020 A 96 GLU C C 13 178.024 0.300 A 96 GLU CA C 13 60.591 0.300 A 96 GLU CB C 13 26.884 0.300 A 96 GLU CG C 13 36.726 0.300 A 96 GLU N N 15 121.755 0.300 A 97 LEU H H 1 8.466 0.020 A 97 LEU HA H 1 4.238 0.020 A 97 LEU HBy H 1 1.462 0.020 A 97 LEU HBx H 1 1.332 0.020 A 97 LEU HD1% H 1 0.483 0.020 A 97 LEU HD2% H 1 0.490 0.020 A 97 LEU HG H 1 1.562 0.020 A 97 LEU C C 13 176.864 0.300 A 97 LEU CA C 13 55.064 0.300 A 97 LEU CB C 13 39.790 0.300 A 97 LEU CD1 C 13 24.418 0.300 A 97 LEU CD2 C 13 24.835 0.300 A 97 LEU CG C 13 27.983 0.300 A 97 LEU N N 15 118.659 0.300 A 98 GLY H H 1 7.467 0.020 A 98 GLY HAy H 1 4.080 0.020 A 98 GLY HAx H 1 3.583 0.020 A 98 GLY C C 13 172.969 0.300 A 98 GLY CA C 13 43.917 0.300 A 98 GLY N N 15 105.634 0.300 A 99 GLY H H 1 7.057 0.020 A 99 GLY HA2 H 1 3.796 0.020 A 99 GLY HA3 H 1 3.796 0.020 A 99 GLY C C 13 171.768 0.300 A 99 GLY CA C 13 44.220 0.300 A 99 GLY N N 15 106.934 0.300 A 100 PRO HA H 1 4.242 0.020 A 100 PRO HBy H 1 2.299 0.020 A 100 PRO HBx H 1 1.932 0.020 A 100 PRO HDy H 1 4.040 0.020 A 100 PRO HDx H 1 3.554 0.020 A 100 PRO HG2 H 1 2.103 0.020 A 100 PRO HG3 H 1 2.103 0.020 A 100 PRO C C 13 175.554 0.300 A 100 PRO CA C 13 63.576 0.300 A 100 PRO CB C 13 31.691 0.300 A 100 PRO CD C 13 50.502 0.300 A 100 PRO CG C 13 26.100 0.300 A 101 VAL H H 1 7.773 0.020 A 101 VAL HA H 1 3.887 0.020 A 101 VAL HB H 1 1.552 0.020 A 101 VAL HG1% H 1 0.606 0.020 A 101 VAL HG2% H 1 0.609 0.020 A 101 VAL C C 13 174.261 0.300 A 101 VAL CA C 13 62.021 0.300 A 101 VAL CB C 13 30.827 0.300 A 101 VAL CG1 C 13 22.355 0.300 A 101 VAL CG2 C 13 20.993 0.300 A 101 VAL N N 15 115.198 0.300 A 102 HIS H H 1 9.754 0.020 A 102 HIS HA H 1 4.287 0.020 A 102 HIS HBy H 1 2.659 0.020 A 102 HIS HBx H 1 2.097 0.020 A 102 HIS HD2 H 1 6.809 0.020 A 102 HIS HE1 H 1 7.876 0.020 A 102 HIS C C 13 174.963 0.300 A 102 HIS CA C 13 55.128 0.300 A 102 HIS CB C 13 30.112 0.300 A 102 HIS N N 15 127.691 0.300 A 102 HIS ND1 N 15 205.591 0.300 A 102 HIS NE2 N 15 178.301 0.300 A 103 ALA H H 1 7.409 0.020 A 103 ALA HA H 1 4.351 0.020 A 103 ALA HB% H 1 1.130 0.020 A 103 ALA C C 13 173.067 0.300 A 103 ALA CA C 13 51.133 0.300 A 103 ALA CB C 13 21.733 0.300 A 103 ALA N N 15 119.219 0.300 A 104 LEU H H 1 8.423 0.020 A 104 LEU HA H 1 4.984 0.020 A 104 LEU HBy H 1 1.367 0.020 A 104 LEU HBx H 1 1.055 0.020 A 104 LEU HD1% H 1 0.544 0.020 A 104 LEU HD2% H 1 0.505 0.020 A 104 LEU HG H 1 1.163 0.020 A 104 LEU C C 13 173.722 0.300 A 104 LEU CA C 13 51.730 0.300 A 104 LEU CB C 13 44.606 0.300 A 104 LEU CD1 C 13 25.899 0.300 A 104 LEU CD2 C 13 24.190 0.300 A 104 LEU CG C 13 25.484 0.300 A 104 LEU N N 15 121.313 0.300 A 105 ALA H H 1 8.515 0.020 A 105 ALA HA H 1 4.658 0.020 A 105 ALA HB% H 1 1.254 0.020 A 105 ALA C C 13 175.445 0.300 A 105 ALA CA C 13 50.114 0.300 A 105 ALA CB C 13 18.469 0.300 A 105 ALA N N 15 130.665 0.300 A 106 ILE H H 1 8.556 0.020 A 106 ILE HA H 1 4.517 0.020 A 106 ILE HB H 1 0.877 0.020 A 106 ILE HD1% H 1 0.520 0.020 A 106 ILE HG1y H 1 1.329 0.020 A 106 ILE HG1x H 1 0.318 0.020 A 106 ILE HG2% H 1 0.349 0.020 A 106 ILE C C 13 174.022 0.300 A 106 ILE CA C 13 59.641 0.300 A 106 ILE CB C 13 40.240 0.300 A 106 ILE CD1 C 13 13.594 0.300 A 106 ILE CG1 C 13 26.701 0.300 A 106 ILE CG2 C 13 16.724 0.300 A 106 ILE N N 15 122.850 0.300 A 107 GLN H H 1 8.714 0.020 A 107 GLN HA H 1 4.554 0.020 A 107 GLN HB2 H 1 1.873 0.020 A 107 GLN HB3 H 1 1.873 0.020 A 107 GLN HG2 H 1 2.028 0.020 A 107 GLN HG3 H 1 2.028 0.020 A 107 GLN C C 13 172.481 0.300 A 107 GLN CA C 13 54.095 0.300 A 107 GLN CB C 13 29.636 0.300 A 107 GLN CG C 13 35.460 0.300 A 107 GLN N N 15 127.476 0.300 A 108 ALA H H 1 9.147 0.020 A 108 ALA HA H 1 5.080 0.020 A 108 ALA HB% H 1 0.319 0.020 A 108 ALA C C 13 175.433 0.300 A 108 ALA CA C 13 49.350 0.300 A 108 ALA CB C 13 19.027 0.300 A 108 ALA N N 15 129.743 0.300 A 109 ARG H H 1 8.813 0.020 A 109 ARG HA H 1 4.984 0.020 A 109 ARG HBy H 1 2.056 0.020 A 109 ARG HBx H 1 1.642 0.020 A 109 ARG HDy H 1 3.119 0.020 A 109 ARG HDx H 1 3.010 0.020 A 109 ARG HG2 H 1 1.728 0.020 A 109 ARG HG3 H 1 1.728 0.020 A 109 ARG C C 13 174.377 0.300 A 109 ARG CA C 13 52.526 0.300 A 109 ARG CB C 13 34.055 0.300 A 109 ARG CD C 13 41.725 0.300 A 109 ARG CG C 13 26.087 0.300 A 109 ARG N N 15 123.798 0.300 A 110 THR H H 1 9.109 0.020 A 110 THR HA H 1 4.789 0.020 A 110 THR HB H 1 4.775 0.020 A 110 THR HG2% H 1 1.252 0.020 A 110 THR C C 13 173.431 0.300 A 110 THR CA C 13 58.872 0.300 A 110 THR CB C 13 66.689 0.300 A 110 THR CG2 C 13 21.104 0.300 A 110 THR N N 15 112.445 0.300 A 111 PRO HA H 1 4.017 0.020 A 111 PRO HB2 H 1 2.429 0.020 A 111 PRO HB3 H 1 2.429 0.020 A 111 PRO HDy H 1 3.916 0.020 A 111 PRO HDx H 1 3.353 0.020 A 111 PRO HG2 H 1 2.146 0.020 A 111 PRO HG3 H 1 2.146 0.020 A 111 PRO C C 13 177.445 0.300 A 111 PRO CA C 13 65.409 0.300 A 111 PRO CB C 13 30.692 0.300 A 111 PRO CD C 13 48.603 0.300 A 111 PRO CG C 13 27.305 0.300 A 112 ALA H H 1 8.472 0.020 A 112 ALA HA H 1 3.961 0.020 A 112 ALA HB% H 1 1.306 0.020 A 112 ALA C C 13 179.749 0.300 A 112 ALA CA C 13 54.399 0.300 A 112 ALA CB C 13 17.308 0.300 A 112 ALA N N 15 118.756 0.300 A 113 GLN H H 1 7.719 0.020 A 113 GLN HA H 1 4.631 0.020 A 113 GLN HB2 H 1 2.327 0.020 A 113 GLN HB3 H 1 2.327 0.020 A 113 GLN HG2 H 1 2.195 0.020 A 113 GLN HG3 H 1 2.195 0.020 A 113 GLN C C 13 178.148 0.300 A 113 GLN CA C 13 57.631 0.300 A 113 GLN CB C 13 29.408 0.300 A 113 GLN CG C 13 32.418 0.300 A 113 GLN N N 15 116.999 0.300 A 114 TRP H H 1 8.393 0.020 A 114 TRP HA H 1 4.302 0.020 A 114 TRP HBy H 1 3.284 0.020 A 114 TRP HBx H 1 2.914 0.020 A 114 TRP HD1 H 1 7.060 0.020 A 114 TRP HE1 H 1 10.159 0.020 A 114 TRP HE3 H 1 7.934 0.020 A 114 TRP HH2 H 1 6.960 0.020 A 114 TRP HZ2 H 1 7.310 0.020 A 114 TRP HZ3 H 1 6.810 0.020 A 114 TRP C C 13 176.385 0.300 A 114 TRP CA C 13 58.041 0.300 A 114 TRP CB C 13 29.546 0.300 A 114 TRP N N 15 121.072 0.300 A 114 TRP NE1 N 15 129.348 0.300 A 115 ARG H H 1 7.919 0.020 A 115 ARG HA H 1 3.739 0.020 A 115 ARG HB2 H 1 1.733 0.020 A 115 ARG HB3 H 1 1.733 0.020 A 115 ARG HDy H 1 3.115 0.020 A 115 ARG HDx H 1 3.047 0.020 A 115 ARG HGy H 1 1.733 0.020 A 115 ARG HGx H 1 1.473 0.020 A 115 ARG C C 13 176.964 0.300 A 115 ARG CA C 13 57.270 0.300 A 115 ARG CB C 13 29.236 0.300 A 115 ARG CD C 13 42.323 0.300 A 115 ARG CG C 13 26.484 0.300 A 115 ARG N N 15 116.773 0.300 A 116 GLU H H 1 7.453 0.020 A 116 GLU HA H 1 3.962 0.020 A 116 GLU HB2 H 1 1.936 0.020 A 116 GLU HB3 H 1 1.936 0.020 A 116 GLU HG2 H 1 2.148 0.020 A 116 GLU HG3 H 1 2.148 0.020 A 116 GLU C C 13 175.899 0.300 A 116 GLU CA C 13 56.673 0.300 A 116 GLU CB C 13 28.768 0.300 A 116 GLU CG C 13 34.837 0.300 A 116 GLU N N 15 117.776 0.300 A 117 ASN H H 1 7.746 0.020 A 117 ASN HA H 1 4.391 0.020 A 117 ASN HBy H 1 2.655 0.020 A 117 ASN HBx H 1 2.509 0.020 A 117 ASN HD21 H 1 7.336 0.020 A 117 ASN HD22 H 1 6.712 0.020 A 117 ASN C C 13 173.658 0.300 A 117 ASN CA C 13 52.736 0.300 A 117 ASN CB C 13 37.896 0.300 A 117 ASN N N 15 116.747 0.300 A 117 ASN ND2 N 15 111.657 0.300 A 118 SER H H 1 7.986 0.020 A 118 SER HA H 1 3.722 0.020 A 118 SER HBy H 1 3.318 0.020 A 118 SER HBx H 1 3.213 0.020 A 118 SER C C 13 173.562 0.300 A 118 SER CA C 13 56.849 0.300 A 118 SER CB C 13 61.758 0.300 A 118 SER N N 15 116.427 0.300 A 119 GLN H H 1 7.860 0.020 A 119 GLN HA H 1 4.107 0.020 A 119 GLN HB2 H 1 1.863 0.020 A 119 GLN HB3 H 1 1.863 0.020 A 119 GLN HE21 H 1 7.391 0.020 A 119 GLN HE22 H 1 6.703 0.020 A 119 GLN HGy H 1 2.270 0.020 A 119 GLN HGx H 1 2.186 0.020 A 119 GLN C C 13 175.022 0.300 A 119 GLN CA C 13 54.787 0.300 A 119 GLN CB C 13 28.046 0.300 A 119 GLN CG C 13 32.341 0.300 A 119 GLN N N 15 120.572 0.300 A 119 GLN NE2 N 15 112.341 0.300 A 120 LEU H H 1 8.146 0.020 A 120 LEU HA H 1 4.264 0.020 A 120 LEU HBy H 1 1.554 0.020 A 120 LEU HBx H 1 1.453 0.020 A 120 LEU HD1% H 1 0.808 0.020 A 120 LEU HD2% H 1 0.746 0.020 A 120 LEU HG H 1 1.525 0.020 A 120 LEU C C 13 176.022 0.300 A 120 LEU CA C 13 54.009 0.300 A 120 LEU CB C 13 41.436 0.300 A 120 LEU CD1 C 13 23.617 0.300 A 120 LEU CD2 C 13 22.338 0.300 A 120 LEU CG C 13 25.464 0.300 A 120 LEU N N 15 123.345 0.300 A 121 ASP H H 1 8.348 0.020 A 121 ASP HA H 1 4.505 0.020 A 121 ASP HBy H 1 2.607 0.020 A 121 ASP HBx H 1 2.507 0.020 A 121 ASP C C 13 175.439 0.300 A 121 ASP CA C 13 53.333 0.300 A 121 ASP CB C 13 40.029 0.300 A 121 ASP N N 15 121.556 0.300 A 122 THR H H 1 7.997 0.020 A 122 THR HA H 1 4.200 0.020 A 122 THR HB H 1 4.147 0.020 A 122 THR HG2% H 1 1.089 0.020 A 122 THR C C 13 173.595 0.300 A 122 THR CA C 13 60.451 0.300 A 122 THR CB C 13 68.313 0.300 A 122 THR CG2 C 13 20.477 0.300 A 122 THR N N 15 113.351 0.300 A 123 SER H H 1 8.209 0.020 A 123 SER HA H 1 4.590 0.020 A 123 SER HB2 H 1 3.678 0.020 A 123 SER HB3 H 1 3.678 0.020 A 123 SER C C 13 170.899 0.300 A 123 SER CA C 13 55.910 0.300 A 123 SER CB C 13 62.004 0.300 A 123 SER N N 15 119.459 0.300 A 125 PRO HA H 1 4.286 0.020 A 125 PRO HBy H 1 2.137 0.020 A 125 PRO HBx H 1 1.736 0.020 A 125 PRO HDy H 1 3.694 0.020 A 125 PRO HDx H 1 3.552 0.020 A 125 PRO HG2 H 1 1.907 0.020 A 125 PRO HG3 H 1 1.907 0.020 A 125 PRO C C 13 175.629 0.300 A 125 PRO CA C 13 62.057 0.300 A 125 PRO CB C 13 30.865 0.300 A 125 PRO CD C 13 49.206 0.300 A 125 PRO CG C 13 26.103 0.300 A 126 CYS H H 1 8.365 0.020 A 126 CYS HA H 1 4.362 0.020 A 126 CYS HB2 H 1 2.745 0.020 A 126 CYS HB3 H 1 2.745 0.020 A 126 CYS C C 13 173.792 0.300 A 126 CYS CA C 13 57.275 0.300 A 126 CYS CB C 13 26.700 0.300 A 126 CYS N N 15 119.277 0.300 A 127 LEU H H 1 8.368 0.020 A 127 LEU HA H 1 4.235 0.020 A 127 LEU HB2 H 1 1.487 0.020 A 127 LEU HB3 H 1 1.487 0.020 A 127 LEU HD1% H 1 0.808 0.020 A 127 LEU HD2% H 1 0.740 0.020 A 127 LEU HG H 1 1.525 0.020 A 127 LEU C C 13 176.782 0.300 A 127 LEU CA C 13 54.293 0.300 A 127 LEU CB C 13 41.207 0.300 A 127 LEU CD1 C 13 23.581 0.300 A 127 LEU CD2 C 13 22.351 0.300 A 127 LEU CG C 13 25.464 0.300 A 127 LEU N N 15 125.444 0.300 A 128 GLY H H 1 8.381 0.020 A 128 GLY HA2 H 1 3.810 0.020 A 128 GLY HA3 H 1 3.810 0.020 A 128 GLY C C 13 173.635 0.300 A 128 GLY CA C 13 44.284 0.300 A 128 GLY N N 15 109.598 0.300 A 129 GLY H H 1 8.174 0.020 A 129 GLY HA2 H 1 3.810 0.020 A 129 GLY HA3 H 1 3.810 0.020 A 129 GLY C C 13 172.969 0.300 A 129 GLY CA C 13 44.187 0.300 A 129 GLY N N 15 108.342 0.300 A 130 ASN H H 1 8.277 0.020 A 130 ASN HA H 1 4.550 0.020 A 130 ASN HBy H 1 2.709 0.020 A 130 ASN HBx H 1 2.652 0.020 A 130 ASN HD21 H 1 6.830 0.020 A 130 ASN HD22 H 1 7.508 0.020 A 130 ASN C C 13 174.272 0.300 A 130 ASN CA C 13 52.118 0.300 A 130 ASN CB C 13 37.768 0.300 A 130 ASN N N 15 118.356 0.300 A 130 ASN ND2 N 15 112.619 0.300 A 131 LYS H H 1 8.223 0.020 A 131 LYS HA H 1 4.144 0.020 A 131 LYS HBy H 1 1.725 0.020 A 131 LYS HBx H 1 1.656 0.020 A 131 LYS HD2 H 1 1.562 0.020 A 131 LYS HD3 H 1 1.562 0.020 A 131 LYS HE2 H 1 2.876 0.020 A 131 LYS HE3 H 1 2.876 0.020 A 131 LYS HGy H 1 1.335 0.020 A 131 LYS HGx H 1 1.288 0.020 A 131 LYS C C 13 175.552 0.300 A 131 LYS CA C 13 55.559 0.300 A 131 LYS CB C 13 31.861 0.300 A 131 LYS CD C 13 27.900 0.300 A 131 LYS CE C 13 41.093 0.300 A 131 LYS CG C 13 23.601 0.300 A 131 LYS N N 15 121.335 0.300 A 132 LYS H H 1 8.257 0.020 A 132 LYS HA H 1 4.216 0.020 A 132 LYS HB2 H 1 1.652 0.020 A 132 LYS HB3 H 1 1.652 0.020 A 132 LYS HD2 H 1 1.562 0.020 A 132 LYS HD3 H 1 1.562 0.020 A 132 LYS HE2 H 1 2.874 0.020 A 132 LYS HE3 H 1 2.874 0.020 A 132 LYS HG2 H 1 1.562 0.020 A 132 LYS HG3 H 1 1.562 0.020 A 132 LYS C C 13 175.666 0.300 A 132 LYS CA C 13 55.477 0.300 A 132 LYS CB C 13 31.904 0.300 A 132 LYS CD C 13 27.935 0.300 A 132 LYS CE C 13 41.089 0.300 A 132 LYS CG C 13 23.594 0.300 A 132 LYS N N 15 122.264 0.300 A 133 THR H H 1 8.096 0.020 A 133 THR HA H 1 4.176 0.020 A 133 THR HB H 1 4.074 0.020 A 133 THR HG2% H 1 1.090 0.020 A 133 THR C C 13 173.435 0.300 A 133 THR CA C 13 60.729 0.300 A 133 THR CB C 13 68.602 0.300 A 133 THR CG2 C 13 20.781 0.300 A 133 THR N N 15 115.813 0.300 A 134 LEU H H 1 8.258 0.020 A 134 LEU HA H 1 4.212 0.020 A 134 LEU HBy H 1 1.499 0.020 A 134 LEU HBx H 1 1.443 0.020 A 134 LEU HD1% H 1 1.517 0.020 A 134 LEU HD2% H 1 0.788 0.020 A 134 LEU HG H 1 1.510 0.020 A 134 LEU C C 13 176.728 0.300 A 134 LEU CA C 13 54.384 0.300 A 134 LEU CB C 13 41.221 0.300 A 134 LEU CD1 C 13 23.632 0.300 A 134 LEU CD2 C 13 22.349 0.300 A 134 LEU CG C 13 25.479 0.300 A 134 LEU N N 15 124.632 0.300 A 135 GLY H H 1 8.342 0.020 A 135 GLY HA2 H 1 3.831 0.020 A 135 GLY HA3 H 1 3.831 0.020 A 135 GLY C C 13 172.846 0.300 A 135 GLY CA C 13 44.086 0.300 A 135 GLY N N 15 109.662 0.300 A 136 THR H H 1 7.877 0.020 A 136 THR HA H 1 4.507 0.020 A 136 THR HB H 1 4.040 0.020 A 136 THR HG2% H 1 1.139 0.020 A 136 THR C C 13 171.187 0.300 A 136 THR CA C 13 58.490 0.300 A 136 THR CB C 13 68.748 0.300 A 136 THR CG2 C 13 19.848 0.300 A 136 THR N N 15 115.983 0.300 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 31 PRO HBx A 32 VAL H 1.0 . 3.78 2 2 A 66 THR HG2% A 102 HIS H 1.0 . 5.44 3 3 A 102 HIS H A 102 HIS HBx 1.0 . 4.18 4 4 A 44 LEU HD1% A 75 SER H 1.0 . 5.24 5 5 A 75 SER H A 76 ARG H 1.0 . 5.02 6 6 A 53 ASN H A 54 GLU H 1.0 . 5.40 7 7 A 53 ASN H A 68 PHE HE% 1.0 . 5.50 8 8 A 53 ASN H A 52 ARG HA 1.0 . 3.15 9 9 A 53 ASN H A 53 ASN HBy 1.0 . 3.64 10 10 A 53 ASN H A 53 ASN HBx 1.0 . 3.89 11 11 A 53 ASN H A 51 LEU HG 1.0 . 5.39 12 12 A 81 SER H A 85 ARG H 1.0 . 5.31 13 13 A 81 SER H A 84 GLN HE21 1.0 . 4.65 14 14 A 81 SER H A 80 LEU HA 1.0 . 3.24 15 15 A 81 SER H A 81 SER HBy 1.0 . 3.98 16 16 A 81 SER H A 84 GLN HB2 1.0 . 3.59 17 16 A 81 SER H A 84 GLN HB3 1.0 . 3.59 18 17 A 81 SER H A 80 LEU HBy 1.0 . 4.70 19 18 A 81 SER H A 80 LEU HBx 1.0 . 4.58 20 19 A 81 SER H A 80 LEU HD1% 1.0 . 5.40 21 20 A 81 SER H A 80 LEU HG 1.0 . 5.50 22 21 A 52 ARG H A 69 ARG H 1.0 . 4.20 23 22 A 69 ARG H A 68 PHE HA 1.0 . 3.30 24 23 A 69 ARG H A 53 ASN HA 1.0 . 4.87 25 24 A 69 ARG H A 69 ARG HG2 1.0 . 4.91 26 24 A 69 ARG H A 69 ARG HG3 1.0 . 4.91 27 25 A 106 ILE HD1% A 108 ALA H 1.0 . 5.04 28 26 A 109 ARG HA A 110 THR H 1.0 . 3.35 29 27 A 110 THR H A 73 VAL HG2% 1.0 . 5.50 30 27 A 110 THR H A 73 VAL HG1% 1.0 . 5.50 31 28 A 33 GLU H A 33 GLU HBx 1.0 . 3.33 32 29 A 32 VAL H A 33 GLU H 1.0 . 3.83 33 30 A 33 GLU H A 34 ALA H 1.0 . 3.86 34 31 A 33 GLU H A 68 PHE HZ 1.0 . 4.68 35 32 A 33 GLU H A 33 GLU HGy 1.0 . 3.91 36 33 A 49 LEU HA A 50 GLU H 1.0 . 3.06 37 34 A 50 GLU H A 50 GLU HBy 1.0 . 3.76 38 35 A 50 GLU H A 50 GLU HBx 1.0 . 3.78 39 36 A 50 GLU H A 71 ALA HB% 1.0 . 4.01 40 37 A 50 GLU H A 49 LEU HBx 1.0 . 4.65 41 38 A 50 GLU H A 48 VAL HG1% 1.0 . 4.78 42 39 A 70 VAL HA A 71 ALA H 1.0 . 2.99 43 40 A 71 ALA H A 72 VAL HA 1.0 . 4.92 44 41 A 64 SER HA A 65 GLU H 1.0 . 3.28 45 42 A 66 THR HG2% A 65 GLU H 1.0 . 4.79 46 43 A 71 ALA H A 70 VAL HG2% 1.0 . 3.82 47 43 A 71 ALA H A 70 VAL HG1% 1.0 . 3.82 48 44 A 71 ALA H A 50 GLU HA 1.0 . 5.01 49 45 A 65 GLU H A 64 SER HBy 1.0 . 4.58 50 46 A 52 ARG H A 68 PHE HD% 1.0 . 4.91 51 47 A 52 ARG H A 51 LEU HA 1.0 . 3.07 52 48 A 52 ARG H A 51 LEU HBy 1.0 . 4.49 53 49 A 73 VAL HA A 109 ARG H 1.0 . 3.93 54 50 A 109 ARG H A 108 ALA HA 1.0 . 3.06 55 51 A 109 ARG H A 72 VAL HG2% 1.0 . 4.75 56 52 A 109 ARG H A 108 ALA HB% 1.0 . 4.24 57 53 A 109 ARG H A 73 VAL HG2% 1.0 . 4.98 58 53 A 73 VAL HG1% A 109 ARG H 1.0 . 4.98 59 54 A 71 ALA HA A 72 VAL H 1.0 . 3.10 60 55 A 108 ALA HA A 72 VAL H 1.0 . 4.05 61 56 A 72 VAL HG2% A 72 VAL H 1.0 . 3.60 62 57 A 72 VAL H A 73 VAL HG2% 1.0 . 5.50 63 57 A 73 VAL HG1% A 72 VAL H 1.0 . 5.50 64 58 A 106 ILE HA A 107 GLN H 1.0 . 2.98 65 59 A 50 GLU HGy A 51 LEU H 1.0 . 4.38 66 60 A 106 ILE HD1% A 107 GLN H 1.0 . 5.05 67 61 A 50 GLU HA A 51 LEU H 1.0 . 3.09 68 62 A 51 LEU HBy A 51 LEU H 1.0 . 4.07 69 63 A 51 LEU H A 51 LEU HBx 1.0 . 3.58 70 64 A 48 VAL H A 49 LEU H 1.0 . 4.58 71 65 A 49 LEU H A 48 VAL HA 1.0 . 2.83 72 66 A 54 GLU H A 53 ASN HBy 1.0 . 5.24 73 67 A 54 GLU H A 53 ASN HBx 1.0 . 4.49 74 68 A 49 LEU HBx A 49 LEU H 1.0 . 4.01 75 69 A 49 LEU H A 49 LEU HD2% 1.0 . 4.99 76 70 A 48 VAL HG1% A 49 LEU H 1.0 . 3.59 77 71 A 49 LEU H A 48 VAL HG2% 1.0 . 4.55 78 72 A 54 GLU H A 68 PHE HD% 1.0 . 4.97 79 73 A 54 GLU H A 53 ASN HA 1.0 . 3.39 80 74 A 94 ALA H A 95 GLU H 1.0 . 3.80 81 75 A 95 GLU H A 93 LEU HA 1.0 . 4.66 82 76 A 95 GLU H A 95 GLU HB2 1.0 . 3.10 83 76 A 95 GLU H A 95 GLU HB3 1.0 . 3.10 84 77 A 106 ILE H A 106 ILE HG1x 1.0 . 3.44 85 77 A 106 ILE H A 106 ILE HG1y 1.0 . 3.44 86 78 A 106 ILE H A 106 ILE HG2% 1.0 . 4.18 87 79 A 89 VAL H A 90 HIS H 1.0 . 3.64 88 80 A 90 HIS H A 90 HIS HBy 1.0 . 3.38 89 81 A 90 HIS H A 90 HIS HBx 1.0 . 3.62 90 82 A 90 HIS H A 89 VAL HB 1.0 . 3.61 91 83 A 90 HIS H A 89 VAL HG2% 1.0 . 4.40 92 84 A 106 ILE HD1% A 106 ILE H 1.0 . 3.76 93 85 A 70 VAL H A 105 ALA H 1.0 . 4.93 94 86 A 105 ALA H A 104 LEU HA 1.0 . 3.29 95 87 A 105 ALA H A 105 ALA HB% 1.0 . 3.60 96 88 A 105 ALA H A 104 LEU HG 1.0 . 5.00 97 89 A 54 GLU H A 55 SER H 1.0 . 3.76 98 90 A 55 SER H A 67 HIS H 1.0 . 4.82 99 91 A 53 ASN HA A 55 SER H 1.0 . 4.48 100 92 A 55 SER H A 55 SER HB2 1.0 . 3.98 101 92 A 55 SER H A 55 SER HB3 1.0 . 3.98 102 93 A 53 ASN HBx A 55 SER H 1.0 . 5.15 103 94 A 55 SER H A 54 GLU HB2 1.0 . 4.97 104 94 A 55 SER H A 54 GLU HB3 1.0 . 4.97 105 95 A 112 ALA H A 113 GLN H 1.0 . 4.46 106 96 A 112 ALA H A 111 PRO HDx 1.0 . 4.86 107 97 A 97 LEU H A 97 LEU HBx 1.0 . 2.84 108 98 A 112 ALA H A 111 PRO HG2 1.0 . 4.00 109 98 A 112 ALA H A 111 PRO HG3 1.0 . 4.00 110 99 A 97 LEU H A 93 LEU HBx 1.0 . 3.15 111 100 A 97 LEU H A 40 LEU HD2% 1.0 . 5.47 112 101 A 103 ALA HA A 104 LEU H 1.0 . 3.01 113 102 A 104 LEU H A 104 LEU HBy 1.0 . 3.87 114 103 A 104 LEU H A 104 LEU HD2% 1.0 . 4.45 115 103 A 104 LEU H A 104 LEU HD1% 1.0 . 4.45 116 104 A 114 TRP H A 114 TRP HBy 1.0 . 3.73 117 105 A 114 TRP H A 114 TRP HBx 1.0 . 3.39 118 106 A 41 GLU H A 41 GLU HGy 1.0 . 4.20 119 107 A 114 TRP H A 73 VAL HG2% 1.0 . 4.84 120 107 A 73 VAL HG1% A 114 TRP H 1.0 . 4.84 121 108 A 38 THR HB A 39 LYS H 1.0 . 3.48 122 109 A 40 LEU H A 40 LEU HBy 1.0 . 3.07 123 110 A 40 LEU H A 40 LEU HBx 1.0 . 4.13 124 111 A 39 LYS H A 39 LYS HB2 1.0 . 3.22 125 111 A 39 LYS H A 39 LYS HB3 1.0 . 3.22 126 112 A 127 LEU H A 127 LEU HB2 1.0 . 3.56 127 112 A 127 LEU H A 127 LEU HB3 1.0 . 3.56 128 113 A 39 LYS H A 39 LYS HGy 1.0 . 4.06 129 113 A 39 LYS H A 39 LYS HGx 1.0 . 4.06 130 114 A 39 LYS H A 38 THR HG2% 1.0 . 4.48 131 115 A 94 ALA H A 96 GLU H 1.0 . 5.05 132 116 A 120 LEU HA A 121 ASP H 1.0 . 3.19 133 117 A 95 GLU H A 96 GLU H 1.0 . 3.90 134 118 A 93 LEU HA A 96 GLU H 1.0 . 4.40 135 119 A 121 ASP H A 121 ASP HBy 1.0 . 4.07 136 120 A 121 ASP H A 121 ASP HBx 1.0 . 3.89 137 121 A 96 GLU H A 96 GLU HBy 1.0 . 3.58 138 122 A 96 GLU H A 96 GLU HGy 1.0 . 4.31 139 123 A 22 GLY H A 21 GLN HB2 1.0 . 3.75 140 123 A 21 GLN HB3 A 22 GLY H 1.0 . 3.75 141 124 A 96 GLU H A 95 GLU HB2 1.0 . 3.48 142 124 A 95 GLU HB3 A 96 GLU H 1.0 . 3.48 143 125 A 96 GLU H A 96 GLU HBx 1.0 . 3.06 144 126 A 96 GLU H A 93 LEU HD1% 1.0 . 4.51 145 127 A 96 GLU H A 98 GLY H 1.0 . 3.69 146 128 A 72 VAL HA A 73 VAL H 1.0 . 3.18 147 129 A 73 VAL H A 73 VAL HB 1.0 . 3.96 148 130 A 73 VAL H A 73 VAL HG2% 1.0 . 4.30 149 130 A 73 VAL HG1% A 73 VAL H 1.0 . 4.30 150 131 A 73 VAL H A 72 VAL HB 1.0 . 4.19 151 132 A 48 VAL HG1% A 73 VAL H 1.0 . 4.56 152 133 A 47 GLU H A 74 SER HBy 1.0 . 3.65 153 134 A 32 VAL H A 34 ALA H 1.0 . 4.98 154 135 A 34 ALA H A 35 ALA H 1.0 . 3.91 155 136 A 33 GLU HBx A 34 ALA H 1.0 . 3.76 156 137 A 34 ALA H A 34 ALA HB% 1.0 . 3.27 157 138 A 29 ILE HG2% A 30 GLY H 1.0 . 4.00 158 139 A 44 LEU HD1% A 76 ARG H 1.0 . 4.88 159 140 A 90 HIS H A 91 ALA H 1.0 . 4.20 160 141 A 91 ALA H A 92 ALA H 1.0 . 3.42 161 142 A 90 HIS HBy A 91 ALA H 1.0 . 3.63 162 143 A 90 HIS HBx A 91 ALA H 1.0 . 4.03 163 144 A 76 ARG H A 75 SER HA 1.0 . 3.46 164 145 A 30 GLY H A 31 PRO HDy 1.0 . 4.08 165 146 A 53 ASN HD22 A 65 GLU HA 1.0 . 4.33 166 147 A 53 ASN HD22 A 65 GLU HG2 1.0 . 5.13 167 147 A 53 ASN HD22 A 65 GLU HG3 1.0 . 5.13 168 148 A 86 HIS H A 86 HIS HBy 1.0 . 3.37 169 149 A 86 HIS H A 86 HIS HBx 1.0 . 3.66 170 150 A 86 HIS H A 85 ARG HB2 1.0 . 3.83 171 150 A 86 HIS H A 85 ARG HB3 1.0 . 3.83 172 151 A 108 ALA HB% A 86 HIS H 1.0 . 4.90 173 152 A 119 GLN HA A 120 LEU H 1.0 . 3.15 174 153 A 86 HIS HBy A 87 ARG H 1.0 . 3.66 175 154 A 120 LEU H A 120 LEU HBy 1.0 . 3.46 176 155 A 120 LEU H A 120 LEU HD2% 1.0 . 4.74 177 155 A 120 LEU H A 120 LEU HD1% 1.0 . 4.74 178 156 A 67 HIS HA A 68 PHE H 1.0 . 3.25 179 157 A 104 LEU HA A 68 PHE H 1.0 . 4.35 180 158 A 68 PHE H A 67 HIS HBy 1.0 . 4.13 181 159 A 68 PHE H A 104 LEU HD2% 1.0 . 5.06 182 159 A 104 LEU HD1% A 68 PHE H 1.0 . 5.06 183 160 A 69 ARG H A 68 PHE H 1.0 . 5.22 184 161 A 74 SER H A 77 PHE H 1.0 . 5.27 185 162 A 109 ARG H A 74 SER H 1.0 . 5.37 186 163 A 74 SER H A 77 PHE HE% 1.0 . 4.68 187 164 A 74 SER H A 77 PHE HD% 1.0 . 3.72 188 165 A 73 VAL HA A 74 SER H 1.0 . 3.11 189 166 A 74 SER H A 110 THR HA 1.0 . 4.16 190 167 A 74 SER H A 74 SER HBx 1.0 . 4.11 191 168 A 74 SER H A 73 VAL HG2% 1.0 . 4.90 192 168 A 73 VAL HG1% A 74 SER H 1.0 . 4.90 193 169 A 121 ASP H A 122 THR H 1.0 . 3.74 194 170 A 33 GLU HA A 37 ARG H 1.0 . 4.63 195 171 A 29 ILE H A 29 ILE HG1x 1.0 . 3.77 196 171 A 29 ILE H A 29 ILE HG1y 1.0 . 3.77 197 172 A 37 ARG H A 36 ILE HD1% 1.0 . 5.40 198 173 A 121 ASP HBy A 122 THR H 1.0 . 4.97 199 174 A 121 ASP HBx A 122 THR H 1.0 . 5.16 200 175 A 38 THR HB A 38 THR H 1.0 . 3.27 201 176 A 136 THR H A 135 GLY HA2 1.0 . 3.41 202 176 A 135 GLY HA3 A 136 THR H 1.0 . 3.41 203 177 A 38 THR HG2% A 38 THR H 1.0 . 4.12 204 178 A 114 TRP HBy A 115 ARG H 1.0 . 4.04 205 179 A 114 TRP HBx A 115 ARG H 1.0 . 4.08 206 180 A 115 ARG H A 116 GLU HB2 1.0 . 4.66 207 180 A 115 ARG H A 116 GLU HB3 1.0 . 4.66 208 181 A 115 ARG H A 115 ARG HB2 1.0 . 3.09 209 181 A 115 ARG H A 115 ARG HB3 1.0 . 3.09 210 182 A 115 ARG H A 113 GLN HG2 1.0 . 4.54 211 182 A 115 ARG H A 113 GLN HG3 1.0 . 4.54 212 183 A 44 LEU H A 44 LEU HG 1.0 . 2.95 213 184 A 41 GLU H A 42 GLU H 1.0 . 3.43 214 185 A 42 GLU H A 42 GLU HGy 1.0 . 3.84 215 186 A 81 SER H A 80 LEU H 1.0 . 5.13 216 187 A 80 LEU H A 79 GLY H 1.0 . 4.92 217 188 A 80 LEU HBy A 80 LEU H 1.0 . 3.46 218 189 A 80 LEU HG A 80 LEU H 1.0 . 3.76 219 190 A 80 LEU HD1% A 80 LEU H 1.0 . 4.28 220 191 A 44 LEU HD1% A 44 LEU H 1.0 . 4.34 221 192 A 102 HIS H A 101 VAL H 1.0 . 5.30 222 193 A 101 VAL H A 100 PRO HG2 1.0 . 5.50 223 193 A 101 VAL H A 100 PRO HG3 1.0 . 5.50 224 194 A 101 VAL H A 101 VAL HB 1.0 . 3.35 225 195 A 101 VAL H A 101 VAL HG2% 1.0 . 4.47 226 195 A 101 VAL H A 101 VAL HG1% 1.0 . 4.47 227 196 A 101 VAL H A 104 LEU HD2% 1.0 . 5.11 228 196 A 104 LEU HD1% A 101 VAL H 1.0 . 5.11 229 197 A 59 ALA HA A 60 VAL H 1.0 . 3.08 230 198 A 60 VAL H A 59 ALA HB% 1.0 . 4.17 231 199 A 60 VAL H A 60 VAL HG1% 1.0 . 4.23 232 200 A 60 VAL H A 60 VAL HG2% 1.0 . 3.60 233 201 A 110 THR H A 113 GLN H 1.0 . 4.53 234 202 A 113 GLN H A 114 TRP H 1.0 . 3.57 235 203 A 44 LEU H A 45 SER H 1.0 . 3.20 236 204 A 45 SER H A 45 SER HA 1.0 . 2.87 237 205 A 45 SER H A 46 PRO HDx 1.0 . 3.35 238 206 A 65 GLU H A 66 THR H 1.0 . 5.08 239 207 A 66 THR HG2% A 66 THR H 1.0 . 4.19 240 208 A 86 HIS HE1 A 106 ILE HG1x 1.0 . 4.75 241 208 A 106 ILE HG1y A 86 HIS HE1 1.0 . 4.75 242 209 A 106 ILE H A 86 HIS HE1 1.0 . 4.89 243 210 A 67 HIS H A 67 HIS HD2 1.0 . 5.29 244 211 A 106 ILE HD1% A 86 HIS HE1 1.0 . 5.29 245 212 A 63 GLY H A 64 SER H 1.0 . 5.17 246 213 A 64 SER H A 62 PRO HA 1.0 . 4.65 247 214 A 64 SER H A 60 VAL HB 1.0 . 5.01 248 215 A 86 HIS HBy A 90 HIS HE1 1.0 . 5.37 249 216 A 86 HIS HBx A 90 HIS HE1 1.0 . 4.63 250 217 A 106 ILE HD1% A 90 HIS HE1 1.0 . 4.25 251 218 A 85 ARG H A 84 GLN H 1.0 . 3.79 252 219 A 84 GLN H A 84 GLN HB2 1.0 . 3.04 253 219 A 84 GLN HB3 A 84 GLN H 1.0 . 3.04 254 220 A 35 ALA H A 35 ALA HB% 1.0 . 3.21 255 221 A 35 ALA H A 32 VAL HA 1.0 . 3.53 256 222 A 35 ALA H A 34 ALA HB% 1.0 . 3.64 257 223 A 35 ALA H A 32 VAL HG2% 1.0 . 5.35 258 224 A 97 LEU H A 98 GLY H 1.0 . 3.75 259 225 A 53 ASN HD21 A 65 GLU HG2 1.0 . 3.85 260 225 A 65 GLU HG3 A 53 ASN HD21 1.0 . 3.85 261 226 A 116 GLU H A 116 GLU HG2 1.0 . 4.10 262 226 A 116 GLU H A 116 GLU HG3 1.0 . 4.10 263 227 A 116 GLU H A 116 GLU HB2 1.0 . 2.92 264 227 A 116 GLU HB3 A 116 GLU H 1.0 . 2.92 265 228 A 89 VAL H A 88 LEU H 1.0 . 3.53 266 229 A 88 LEU H A 88 LEU HBx 1.0 . 3.40 267 230 A 88 LEU H A 88 LEU HD1% 1.0 . 4.52 268 231 A 67 HIS HA A 103 ALA H 1.0 . 4.02 269 232 A 103 ALA H A 101 VAL HA 1.0 . 4.41 270 233 A 102 HIS HBx A 103 ALA H 1.0 . 4.26 271 234 A 119 GLN HA A 119 GLN HE21 1.0 . 4.61 272 235 A 119 GLN HE21 A 113 GLN HB2 1.0 . 4.55 273 235 A 119 GLN HE21 A 113 GLN HB3 1.0 . 4.55 274 236 A 117 ASN HA A 117 ASN HD21 1.0 . 5.43 275 237 A 48 VAL HG1% A 114 TRP HZ2 1.0 . 4.11 276 238 A 48 VAL HG2% A 114 TRP HZ2 1.0 . 4.36 277 239 A 109 ARG H A 77 PHE HE% 1.0 . 4.27 278 240 A 89 VAL H A 86 HIS HA 1.0 . 4.00 279 241 A 89 VAL H A 89 VAL HB 1.0 . 3.37 280 242 A 89 VAL H A 88 LEU HBy 1.0 . 3.57 281 243 A 72 VAL HB A 77 PHE HE% 1.0 . 3.90 282 244 A 89 VAL H A 88 LEU HBx 1.0 . 3.49 283 245 A 72 VAL HG2% A 77 PHE HE% 1.0 . 3.21 284 246 A 77 PHE HE% A 44 LEU HD2% 1.0 . 3.98 285 247 A 108 ALA HB% A 77 PHE HE% 1.0 . 3.91 286 248 A 108 ALA HA A 77 PHE HE% 1.0 . 3.91 287 249 A 89 VAL H A 85 ARG HA 1.0 . 4.34 288 250 A 74 SER HBy A 77 PHE HE% 1.0 . 4.32 289 251 A 92 ALA H A 92 ALA HB% 1.0 . 3.20 290 252 A 21 GLN HGy A 21 GLN HE21 1.0 . 3.52 291 253 A 68 PHE HZ A 36 ILE HD1% 1.0 . 5.35 292 254 A 19 PHE HA A 19 PHE HD% 1.0 . 4.11 293 255 A 93 LEU HD1% A 93 LEU H 1.0 . 4.37 294 256 A 93 LEU H A 93 LEU HD2% 1.0 . 4.37 295 257 A 114 TRP H A 114 TRP HE3 1.0 . 4.98 296 258 A 114 TRP HE3 A 114 TRP HA 1.0 . 3.59 297 259 A 114 TRP HBy A 114 TRP HE3 1.0 . 4.19 298 260 A 114 TRP HE3 A 73 VAL HG2% 1.0 . 4.19 299 260 A 73 VAL HG1% A 114 TRP HE3 1.0 . 4.19 300 261 A 109 ARG H A 77 PHE HD% 1.0 . 4.50 301 262 A 73 VAL HA A 77 PHE HD% 1.0 . 4.33 302 263 A 108 ALA HA A 77 PHE HD% 1.0 . 4.64 303 264 A 77 PHE HD% A 110 THR HA 1.0 . 4.76 304 265 A 77 PHE HD% A 77 PHE HA 1.0 . 3.35 305 266 A 77 PHE HD% A 74 SER HBx 1.0 . 3.98 306 267 A 77 PHE HD% A 76 ARG HBx 1.0 . 4.56 307 268 A 77 PHE HD% A 80 LEU HD2% 1.0 . 4.00 308 269 A 108 ALA HB% A 77 PHE HD% 1.0 . 4.49 309 270 A 98 GLY H A 99 GLY H 1.0 . 3.51 310 271 A 68 PHE HE% A 33 GLU H 1.0 . 4.90 311 272 A 68 PHE HE% A 53 ASN HBx 1.0 . 4.09 312 273 A 68 PHE HE% A 33 GLU HBy 1.0 . 3.62 313 274 A 68 PHE HE% A 36 ILE HD1% 1.0 . 4.52 314 275 A 114 TRP H A 114 TRP HD1 1.0 . 5.08 315 276 A 114 TRP HA A 114 TRP HD1 1.0 . 4.25 316 277 A 48 VAL HG1% A 114 TRP HD1 1.0 . 4.40 317 278 A 48 VAL HG2% A 114 TRP HD1 1.0 . 4.32 318 279 A 114 TRP HD1 A 73 VAL HG2% 1.0 . 4.44 319 279 A 73 VAL HG1% A 114 TRP HD1 1.0 . 4.44 320 280 A 71 ALA HB% A 114 TRP HH2 1.0 . 4.62 321 281 A 48 VAL HG1% A 114 TRP HH2 1.0 . 5.41 322 282 A 48 VAL HG2% A 114 TRP HH2 1.0 . 5.48 323 283 A 94 ALA H A 92 ALA HA 1.0 . 4.35 324 284 A 94 ALA H A 93 LEU HD1% 1.0 . 5.18 325 285 A 76 ARG H A 77 PHE H 1.0 . 3.59 326 286 A 77 PHE H A 78 GLU H 1.0 . 3.47 327 287 A 77 PHE H A 78 GLU HA 1.0 . 4.90 328 288 A 77 PHE H A 77 PHE HBy 1.0 . 3.77 329 289 A 77 PHE H A 77 PHE HBx 1.0 . 3.52 330 290 A 77 PHE H A 76 ARG HBx 1.0 . 3.84 331 291 A 81 SER H A 84 GLN HE22 1.0 . 5.50 332 292 A 48 VAL H A 47 GLU H 1.0 . 3.24 333 293 A 48 VAL H A 48 VAL HB 1.0 . 3.78 334 294 A 48 VAL HG1% A 48 VAL H 1.0 . 4.23 335 295 A 48 VAL H A 73 VAL HG2% 1.0 . 4.70 336 295 A 73 VAL HG1% A 48 VAL H 1.0 . 4.70 337 296 A 71 ALA HB% A 114 TRP HZ3 1.0 . 5.07 338 297 A 114 TRP HZ3 A 73 VAL HG2% 1.0 . 5.36 339 297 A 73 VAL HG1% A 114 TRP HZ3 1.0 . 5.36 340 298 A 102 HIS H A 102 HIS HD2 1.0 . 4.14 341 299 A 101 VAL HA A 102 HIS HD2 1.0 . 4.45 342 300 A 102 HIS HD2 A 66 THR HB 1.0 . 4.45 343 301 A 66 THR HG2% A 102 HIS HD2 1.0 . 4.15 344 302 A 102 HIS HD2 A 66 THR HA 1.0 . 4.77 345 303 A 72 VAL HB A 77 PHE HZ 1.0 . 4.86 346 304 A 72 VAL HG2% A 77 PHE HZ 1.0 . 3.50 347 305 A 44 LEU HD1% A 77 PHE HZ 1.0 . 3.61 348 306 A 44 LEU HD2% A 77 PHE HZ 1.0 . 4.66 349 307 A 108 ALA HB% A 77 PHE HZ 1.0 . 4.40 350 308 A 69 ARG H A 68 PHE HD% 1.0 . 4.33 351 309 A 68 PHE HD% A 68 PHE H 1.0 . 4.38 352 310 A 68 PHE HA A 68 PHE HD% 1.0 . 3.71 353 311 A 53 ASN HA A 68 PHE HD% 1.0 . 3.82 354 312 A 53 ASN HBy A 68 PHE HD% 1.0 . 5.03 355 313 A 53 ASN HBx A 68 PHE HD% 1.0 . 3.32 356 314 A 55 SER H A 58 HIS HD2 1.0 . 5.50 357 315 A 58 HIS HD2 A 57 GLY H 1.0 . 4.09 358 316 A 58 HIS HD2 A 55 SER HA 1.0 . 3.65 359 317 A 58 HIS HD2 A 57 GLY HAy 1.0 . 4.85 360 318 A 90 HIS H A 90 HIS HD2 1.0 . 3.98 361 319 A 89 VAL H A 90 HIS HD2 1.0 . 5.43 362 320 A 90 HIS HD2 A 90 HIS HA 1.0 . 3.35 363 321 A 89 VAL HB A 90 HIS HD2 1.0 . 4.48 364 322 A 90 HIS HD2 A 89 VAL HG1% 1.0 . 5.50 365 323 A 89 VAL HG2% A 90 HIS HD2 1.0 . 4.35 366 324 A 106 ILE HD1% A 90 HIS HD2 1.0 . 3.18 367 325 A 106 ILE HG2% A 90 HIS HD2 1.0 . 5.26 368 326 A 86 HIS H A 86 HIS HD2 1.0 . 3.72 369 327 A 86 HIS HA A 86 HIS HD2 1.0 . 3.26 370 328 A 86 HIS HD2 A 85 ARG HD2 1.0 . 4.03 371 328 A 86 HIS HD2 A 85 ARG HD3 1.0 . 4.03 372 329 A 106 ILE HD1% A 86 HIS HD2 1.0 . 4.02 373 330 A 67 HIS HD2 A 103 ALA H 1.0 . 5.40 374 331 A 67 HIS HA A 67 HIS HD2 1.0 . 4.49 375 332 A 67 HIS HBy A 67 HIS HD2 1.0 . 3.92 376 333 A 67 HIS HD2 A 103 ALA HB% 1.0 . 3.60 377 334 A 54 GLU H A 68 PHE HA 1.0 . 4.22 378 335 A 68 PHE HA A 67 HIS HBy 1.0 . 4.49 379 336 A 71 ALA HA A 107 GLN H 1.0 . 2.99 380 337 A 70 VAL HA A 71 ALA HA 1.0 . 5.12 381 338 A 71 ALA HA A 106 ILE HA 1.0 . 4.82 382 339 A 72 VAL HG2% A 71 ALA HA 1.0 . 4.94 383 340 A 71 ALA HA A 70 VAL HG2% 1.0 . 4.99 384 340 A 70 VAL HG1% A 71 ALA HA 1.0 . 4.99 385 341 A 71 ALA HA A 106 ILE HG2% 1.0 . 5.36 386 342 A 108 ALA HA A 71 ALA HA 1.0 . 5.08 387 343 A 73 VAL HA A 77 PHE HE% 1.0 . 5.07 388 344 A 73 VAL HA A 110 THR HA 1.0 . 4.69 389 345 A 73 VAL HA A 109 ARG HBy 1.0 . 4.69 390 346 A 73 VAL HA A 73 VAL HG2% 1.0 . 3.85 391 346 A 73 VAL HG1% A 73 VAL HA 1.0 . 3.85 392 347 A 73 VAL HA A 109 ARG HBx 1.0 . 4.25 393 348 A 70 VAL HA A 51 LEU HA 1.0 . 3.80 394 349 A 67 HIS HA A 101 VAL HG2% 1.0 . 4.80 395 349 A 67 HIS HA A 101 VAL HG1% 1.0 . 4.80 396 350 A 67 HIS HA A 104 LEU HD2% 1.0 . 5.50 397 350 A 104 LEU HD1% A 67 HIS HA 1.0 . 5.50 398 351 A 47 GLU HBy A 74 SER HA 1.0 . 4.64 399 352 A 47 GLU H A 74 SER HA 1.0 . 3.89 400 353 A 75 SER HA A 74 SER HA 1.0 . 4.56 401 354 A 48 VAL H A 74 SER HA 1.0 . 5.01 402 355 A 104 LEU HA A 68 PHE HBx 1.0 . 4.78 403 356 A 70 VAL HA A 51 LEU H 1.0 . 5.08 404 357 A 51 LEU HG A 70 VAL HA 1.0 . 4.50 405 358 A 109 ARG HA A 108 ALA HB% 1.0 . 5.50 406 359 A 49 LEU HA A 49 LEU HD2% 1.0 . 4.97 407 360 A 114 TRP HA A 73 VAL HG2% 1.0 . 4.95 408 360 A 73 VAL HG1% A 114 TRP HA 1.0 . 4.95 409 361 A 102 HIS HD2 A 102 HIS HA 1.0 . 4.09 410 362 A 44 LEU HD2% A 44 LEU HA 1.0 . 3.68 411 363 A 120 LEU HA A 120 LEU HD2% 1.0 . 3.26 412 363 A 120 LEU HA A 120 LEU HD1% 1.0 . 3.26 413 364 A 99 GLY H A 100 PRO HA 1.0 . 5.50 414 365 A 97 LEU HA A 97 LEU HD2% 1.0 . 4.39 415 366 A 100 PRO HA A 101 VAL HG2% 1.0 . 4.57 416 366 A 101 VAL HG1% A 100 PRO HA 1.0 . 4.57 417 367 A 66 THR HG2% A 64 SER HA 1.0 . 4.64 418 368 A 122 THR HA A 123 SER HA 1.0 . 4.25 419 369 A 122 THR HA A 122 THR HG2% 1.0 . 3.14 420 370 A 131 LYS HA A 131 LYS HD2 1.0 . 4.32 421 370 A 131 LYS HA A 131 LYS HD3 1.0 . 4.32 422 371 A 45 SER HA A 45 SER HBx 1.0 . 2.90 423 372 A 45 SER HA A 18 PRO HGy 1.0 . 3.69 424 373 A 68 PHE HA A 53 ASN HA 1.0 . 3.82 425 374 A 119 GLN HA A 119 GLN HGx 1.0 . 3.81 426 375 A 30 GLY H A 29 ILE HA 1.0 . 2.96 427 376 A 68 PHE HE% A 53 ASN HA 1.0 . 4.53 428 377 A 88 LEU HA A 88 LEU HD1% 1.0 . 4.53 429 378 A 47 GLU HA A 47 GLU HGy 1.0 . 3.54 430 379 A 78 GLU H A 76 ARG HA 1.0 . 5.07 431 380 A 115 ARG H A 111 PRO HA 1.0 . 4.16 432 381 A 112 ALA HA A 115 ARG HB2 1.0 . 3.68 433 381 A 115 ARG HB3 A 112 ALA HA 1.0 . 3.68 434 382 A 111 PRO HA A 73 VAL HG2% 1.0 . 5.10 435 382 A 73 VAL HG1% A 111 PRO HA 1.0 . 5.10 436 383 A 76 ARG HA A 78 GLU HG2 1.0 . 4.51 437 383 A 76 ARG HA A 78 GLU HG3 1.0 . 4.51 438 384 A 58 HIS HD2 A 57 GLY HAx 1.0 . 4.18 439 385 A 38 THR HG2% A 39 LYS HA 1.0 . 4.26 440 386 A 40 LEU HA A 43 ALA H 1.0 . 3.58 441 387 A 42 GLU HGy A 42 GLU HA 1.0 . 3.77 442 388 A 22 GLY HAx A 46 PRO HG2 1.0 . 3.16 443 388 A 22 GLY HAx A 46 PRO HG3 1.0 . 3.16 444 389 A 90 HIS H A 87 ARG HA 1.0 . 4.20 445 390 A 90 HIS HBy A 87 ARG HA 1.0 . 3.74 446 391 A 100 PRO HDy A 99 GLY HA2 1.0 . 3.02 447 391 A 99 GLY HA3 A 100 PRO HDy 1.0 . 3.02 448 392 A 81 SER HBx A 84 GLN HB2 1.0 . 3.09 449 392 A 84 GLN HB3 A 81 SER HBx 1.0 . 3.09 450 393 A 18 PRO HGy A 45 SER HBy 1.0 . 3.28 451 394 A 134 LEU HD2% A 135 GLY HA2 1.0 . 3.55 452 394 A 135 GLY HA3 A 134 LEU HD2% 1.0 . 3.55 453 395 A 38 THR HG2% A 38 THR HA 1.0 . 3.25 454 396 A 106 ILE HD1% A 86 HIS HA 1.0 . 3.02 455 397 A 115 ARG HA A 115 ARG HB2 1.0 . 3.01 456 397 A 115 ARG HB3 A 115 ARG HA 1.0 . 3.01 457 398 A 55 SER HA A 55 SER HB2 1.0 . 2.73 458 398 A 55 SER HB3 A 55 SER HA 1.0 . 2.73 459 399 A 67 HIS HBy A 55 SER HB2 1.0 . 2.40 460 399 A 55 SER HB3 A 67 HIS HBy 1.0 . 2.40 461 400 A 35 ALA HB% A 32 VAL HA 1.0 . 3.53 462 401 A 32 VAL HA A 32 VAL HG2% 1.0 . 3.92 463 402 A 37 ARG HA A 37 ARG HGy 1.0 . 3.69 464 403 A 37 ARG HA A 37 ARG HGx 1.0 . 3.89 465 404 A 37 ARG HA A 49 LEU HD1% 1.0 . 3.63 466 405 A 111 PRO HDx A 110 THR HA 1.0 . 3.67 467 406 A 114 TRP HBy A 73 VAL HG2% 1.0 . 4.81 468 406 A 73 VAL HG1% A 114 TRP HBy 1.0 . 4.81 469 407 A 102 HIS H A 66 THR HB 1.0 . 4.66 470 408 A 102 HIS HBx A 66 THR HB 1.0 . 3.73 471 409 A 92 ALA HB% A 89 VAL HA 1.0 . 3.89 472 410 A 89 VAL HG2% A 89 VAL HA 1.0 . 3.36 473 411 A 93 LEU HD2% A 89 VAL HA 1.0 . 4.77 474 412 A 52 ARG HA A 52 ARG HDy 1.0 . 4.28 475 413 A 105 ALA HB% A 69 ARG HDy 1.0 . 4.72 476 414 A 69 ARG HDy A 105 ALA HA 1.0 . 4.67 477 415 A 112 ALA HA A 115 ARG HDy 1.0 . 4.99 478 416 A 68 PHE HE% A 33 GLU HA 1.0 . 4.80 479 417 A 44 LEU HBy A 76 ARG HD2 1.0 . 4.01 480 417 A 44 LEU HBy A 76 ARG HD3 1.0 . 4.01 481 418 A 68 PHE HZ A 33 GLU HA 1.0 . 4.54 482 419 A 76 ARG HA A 76 ARG HD2 1.0 . 3.70 483 419 A 76 ARG HA A 76 ARG HD3 1.0 . 3.70 484 420 A 76 ARG HBx A 76 ARG HD2 1.0 . 4.14 485 420 A 76 ARG HBx A 76 ARG HD3 1.0 . 4.14 486 421 A 37 ARG HA A 37 ARG HDx 1.0 . 4.11 487 422 A 74 SER HBy A 73 VAL HG2% 1.0 . 5.50 488 422 A 73 VAL HG1% A 74 SER HBy 1.0 . 5.50 489 423 A 114 TRP HBx A 111 PRO HB2 1.0 . 4.63 490 423 A 114 TRP HBx A 111 PRO HB3 1.0 . 4.63 491 424 A 69 ARG HA A 69 ARG HDx 1.0 . 5.10 492 425 A 106 ILE HD1% A 86 HIS HBx 1.0 . 4.26 493 426 A 85 ARG HA A 85 ARG HD2 1.0 . 5.50 494 426 A 85 ARG HA A 85 ARG HD3 1.0 . 5.50 495 427 A 53 ASN HBx A 53 ASN HD21 1.0 . 3.32 496 428 A 117 ASN H A 117 ASN HBx 1.0 . 4.06 497 429 A 115 ARG HDy A 111 PRO HB2 1.0 . 3.69 498 429 A 115 ARG HDy A 111 PRO HB3 1.0 . 3.69 499 430 A 68 PHE HBx A 101 VAL HG2% 1.0 . 4.66 500 430 A 101 VAL HG1% A 68 PHE HBx 1.0 . 4.66 501 431 A 110 THR H A 113 GLN HB2 1.0 . 4.63 502 431 A 110 THR H A 113 GLN HB3 1.0 . 4.63 503 432 A 85 ARG H A 84 GLN HB2 1.0 . 4.18 504 432 A 85 ARG H A 84 GLN HB3 1.0 . 4.18 505 433 A 113 GLN HB3 A 119 GLN HB2 1.0 . 2.57 506 433 A 113 GLN HB2 A 119 GLN HB2 1.0 . 2.57 507 433 A 119 GLN HB3 A 113 GLN HB2 1.0 . 2.57 508 433 A 113 GLN HB3 A 119 GLN HB3 1.0 . 2.57 509 434 A 113 GLN HB2 A 113 GLN HG2 1.0 . 2.59 510 434 A 113 GLN HG3 A 113 GLN HB2 1.0 . 2.59 511 434 A 113 GLN HG3 A 113 GLN HB3 1.0 . 2.59 512 434 A 113 GLN HB3 A 113 GLN HG2 1.0 . 2.59 513 435 A 32 VAL H A 33 GLU HGy 1.0 . 5.44 514 436 A 47 GLU H A 47 GLU HGy 1.0 . 4.51 515 437 A 106 ILE HD1% A 89 VAL HB 1.0 . 4.08 516 438 A 102 HIS HBx A 67 HIS HD2 1.0 . 4.74 517 439 A 48 VAL HG1% A 47 GLU HGx 1.0 . 4.50 518 440 A 110 THR H A 109 ARG HBy 1.0 . 4.49 519 441 A 109 ARG HBy A 73 VAL HG2% 1.0 . 4.80 520 441 A 73 VAL HG1% A 109 ARG HBy 1.0 . 4.80 521 442 A 78 GLU H A 78 GLU HBy 1.0 . 3.53 522 443 A 95 GLU H A 96 GLU HGy 1.0 . 4.54 523 444 A 34 ALA H A 33 GLU HGx 1.0 . 4.47 524 445 A 68 PHE HE% A 33 GLU HGx 1.0 . 4.42 525 446 A 33 GLU HA A 33 GLU HGx 1.0 . 4.14 526 447 A 40 LEU H A 40 LEU HG 1.0 . 3.76 527 448 A 42 GLU H A 42 GLU HBy 1.0 . 3.38 528 449 A 78 GLU H A 78 GLU HBx 1.0 . 3.78 529 450 A 40 LEU HBy A 36 ILE HD1% 1.0 . 5.50 530 451 A 33 GLU H A 32 VAL HB 1.0 . 4.51 531 452 A 107 GLN H A 107 GLN HB2 1.0 . 3.61 532 452 A 107 GLN H A 107 GLN HB3 1.0 . 3.61 533 453 A 22 GLY HAx A 46 PRO HBx 1.0 . 3.52 534 454 A 74 SER HBy A 46 PRO HBx 1.0 . 3.69 535 455 A 50 GLU HBx A 71 ALA HB% 1.0 . 4.04 536 456 A 48 VAL HG2% A 47 GLU HBy 1.0 . 4.76 537 457 A 115 ARG HDx A 115 ARG HB2 1.0 . 3.42 538 457 A 115 ARG HB3 A 115 ARG HDx 1.0 . 3.42 539 458 A 88 LEU H A 87 ARG HB2 1.0 . 3.63 540 458 A 88 LEU H A 87 ARG HB3 1.0 . 3.63 541 459 A 29 ILE H A 29 ILE HB 1.0 . 4.08 542 460 A 89 VAL H A 88 LEU HG 1.0 . 5.29 543 461 A 114 TRP HE3 A 109 ARG HBx 1.0 . 4.42 544 462 A 85 ARG HB2 A 85 ARG HD2 1.0 . 4.16 545 462 A 85 ARG HB3 A 85 ARG HD2 1.0 . 4.16 546 462 A 85 ARG HD3 A 85 ARG HB2 1.0 . 4.16 547 462 A 85 ARG HB3 A 85 ARG HD3 1.0 . 4.16 548 463 A 34 ALA HB% A 29 ILE HB 1.0 . 3.74 549 464 A 109 ARG HBx A 73 VAL HG2% 1.0 . 4.42 550 464 A 73 VAL HG1% A 109 ARG HBx 1.0 . 4.42 551 465 A 133 THR H A 132 LYS HB2 1.0 . 4.61 552 465 A 132 LYS HB3 A 133 THR H 1.0 . 4.61 553 466 A 93 LEU HD1% A 93 LEU HBy 1.0 . 3.34 554 467 A 93 LEU HD2% A 93 LEU HBy 1.0 . 3.61 555 468 A 18 PRO HGx A 19 PHE H 1.0 . 4.63 556 469 A 52 ARG H A 69 ARG HB2 1.0 . 5.37 557 469 A 52 ARG H A 69 ARG HB3 1.0 . 5.37 558 470 A 132 LYS HE2 A 132 LYS HG2 1.0 . 3.52 559 470 A 132 LYS HE3 A 132 LYS HG2 1.0 . 3.52 560 470 A 132 LYS HG3 A 132 LYS HE2 1.0 . 3.52 561 470 A 132 LYS HG3 A 132 LYS HE3 1.0 . 3.52 562 471 A 101 VAL HB A 68 PHE HBx 1.0 . 4.20 563 472 A 36 ILE HD1% A 97 LEU HG 1.0 . 4.19 564 473 A 52 ARG HA A 52 ARG HG2 1.0 . 4.13 565 473 A 52 ARG HA A 52 ARG HG3 1.0 . 4.13 566 474 A 80 LEU HBy A 80 LEU HG 1.0 . 2.69 567 475 A 76 ARG HBy A 76 ARG HD2 1.0 . 3.41 568 475 A 76 ARG HD3 A 76 ARG HBy 1.0 . 3.41 569 476 A 97 LEU H A 97 LEU HBy 1.0 . 3.41 570 477 A 98 GLY H A 97 LEU HBy 1.0 . 4.26 571 478 A 76 ARG HA A 76 ARG HG2 1.0 . 3.50 572 478 A 76 ARG HA A 76 ARG HG3 1.0 . 3.50 573 479 A 37 ARG H A 36 ILE HB 1.0 . 3.79 574 480 A 51 LEU HG A 51 LEU H 1.0 . 4.72 575 481 A 38 THR HG2% A 39 LYS HD2 1.0 . 3.41 576 481 A 38 THR HG2% A 39 LYS HD3 1.0 . 3.41 577 482 A 51 LEU HG A 51 LEU HA 1.0 . 4.23 578 483 A 90 HIS HBx A 91 ALA HB% 1.0 . 4.93 579 484 A 80 LEU HBx A 84 GLN HG2 1.0 . 4.02 580 484 A 80 LEU HBx A 84 GLN HG3 1.0 . 4.02 581 485 A 80 LEU HBx A 80 LEU H 1.0 . 3.77 582 486 A 36 ILE HD1% A 35 ALA HB% 1.0 . 5.39 583 487 A 94 ALA H A 94 ALA HB% 1.0 . 3.08 584 488 A 106 ILE HG2% A 106 ILE HG1x 1.0 . 3.79 585 488 A 106 ILE HG1y A 106 ILE HG2% 1.0 . 3.79 586 489 A 97 LEU HBx A 96 GLU H 1.0 . 5.17 587 490 A 70 VAL H A 69 ARG HG2 1.0 . 3.97 588 490 A 69 ARG HG3 A 70 VAL H 1.0 . 3.97 589 491 A 69 ARG HA A 69 ARG HG2 1.0 . 3.30 590 491 A 69 ARG HG3 A 69 ARG HA 1.0 . 3.30 591 492 A 34 ALA HB% A 30 GLY H 1.0 . 3.28 592 493 A 39 LYS HA A 39 LYS HGy 1.0 . 3.88 593 493 A 39 LYS HGx A 39 LYS HA 1.0 . 3.88 594 494 A 34 ALA HB% A 29 ILE HG2% 1.0 . 4.75 595 495 A 110 THR H A 110 THR HG2% 1.0 . 4.08 596 496 A 77 PHE HD% A 110 THR HG2% 1.0 . 4.91 597 497 A 110 THR HG2% A 111 PRO HDy 1.0 . 3.59 598 498 A 77 PHE HBy A 110 THR HG2% 1.0 . 4.29 599 499 A 39 LYS HEy A 39 LYS HGy 1.0 . 3.80 600 499 A 39 LYS HGx A 39 LYS HEy 1.0 . 3.80 601 500 A 71 ALA HB% A 72 VAL H 1.0 . 3.82 602 501 A 77 PHE H A 110 THR HG2% 1.0 . 4.81 603 502 A 109 ARG HA A 110 THR HG2% 1.0 . 4.69 604 503 A 103 ALA HB% A 101 VAL HG2% 1.0 . 4.58 605 503 A 101 VAL HG1% A 103 ALA HB% 1.0 . 4.58 606 504 A 104 LEU HG A 104 LEU H 1.0 . 3.86 607 505 A 103 ALA H A 103 ALA HB% 1.0 . 3.96 608 506 A 67 HIS HA A 103 ALA HB% 1.0 . 4.31 609 507 A 67 HIS HBy A 103 ALA HB% 1.0 . 4.52 610 508 A 103 ALA HB% A 67 HIS HBx 1.0 . 4.76 611 509 A 136 THR H A 136 THR HG2% 1.0 . 4.15 612 510 A 68 PHE HBx A 104 LEU HBx 1.0 . 5.26 613 511 A 122 THR H A 122 THR HG2% 1.0 . 5.36 614 512 A 49 LEU HA A 48 VAL HB 1.0 . 5.36 615 513 A 48 VAL HB A 73 VAL HG2% 1.0 . 4.35 616 513 A 73 VAL HG1% A 48 VAL HB 1.0 . 4.35 617 514 A 90 HIS H A 89 VAL HG1% 1.0 . 3.91 618 515 A 89 VAL H A 89 VAL HG1% 1.0 . 4.30 619 516 A 89 VAL HG1% A 89 VAL HA 1.0 . 3.46 620 517 A 32 VAL HG1% A 36 ILE H 1.0 . 5.36 621 518 A 108 ALA HA A 72 VAL HG2% 1.0 . 3.87 622 519 A 72 VAL HA A 72 VAL HG2% 1.0 . 4.17 623 520 A 60 VAL HG1% A 58 HIS HBy 1.0 . 4.76 624 521 A 66 THR HG2% A 67 HIS H 1.0 . 4.42 625 522 A 66 THR HG2% A 66 THR HA 1.0 . 3.85 626 523 A 80 LEU HD1% A 78 GLU HA 1.0 . 4.11 627 524 A 72 VAL HA A 72 VAL HG1% 1.0 . 3.69 628 525 A 80 LEU HD1% A 77 PHE HBy 1.0 . 4.45 629 526 A 80 LEU HD1% A 77 PHE HD% 1.0 . 4.18 630 527 A 88 LEU HA A 88 LEU HD2% 1.0 . 3.84 631 528 A 88 LEU HBy A 88 LEU HD2% 1.0 . 3.68 632 529 A 85 ARG HA A 88 LEU HD2% 1.0 . 5.26 633 530 A 84 GLN HG2 A 88 LEU HD2% 1.0 . 5.02 634 530 A 84 GLN HG3 A 88 LEU HD2% 1.0 . 5.02 635 531 A 49 LEU HD1% A 24 ALA HA 1.0 . 4.58 636 532 A 49 LEU HD1% A 37 ARG HDx 1.0 . 4.71 637 533 A 49 LEU H A 49 LEU HD1% 1.0 . 5.35 638 534 A 134 LEU HD2% A 135 GLY H 1.0 . 4.75 639 535 A 49 LEU HA A 49 LEU HD1% 1.0 . 4.50 640 536 A 80 LEU HD2% A 84 GLN HG2 1.0 . 4.26 641 536 A 80 LEU HD2% A 84 GLN HG3 1.0 . 4.26 642 537 A 89 VAL H A 88 LEU HD1% 1.0 . 4.96 643 538 A 16 ILE HA A 16 ILE HG2% 1.0 . 3.29 644 539 A 44 LEU HD1% A 76 ARG HD2 1.0 . 3.98 645 539 A 44 LEU HD1% A 76 ARG HD3 1.0 . 3.98 646 540 A 52 ARG H A 51 LEU HD2% 1.0 . 4.27 647 541 A 40 LEU H A 40 LEU HD1% 1.0 . 4.43 648 542 A 49 LEU HD2% A 37 ARG H 1.0 . 4.39 649 543 A 51 LEU HA A 51 LEU HD2% 1.0 . 3.56 650 544 A 70 VAL HA A 51 LEU HD2% 1.0 . 4.64 651 545 A 40 LEU HA A 40 LEU HD1% 1.0 . 3.27 652 546 A 93 LEU HA A 93 LEU HD1% 1.0 . 3.45 653 547 A 70 VAL H A 70 VAL HG2% 1.0 . 3.97 654 547 A 70 VAL HG1% A 70 VAL H 1.0 . 3.97 655 548 A 106 ILE HA A 70 VAL HG2% 1.0 . 3.89 656 548 A 70 VAL HG1% A 106 ILE HA 1.0 . 3.89 657 549 A 70 VAL HA A 70 VAL HG2% 1.0 . 3.49 658 549 A 70 VAL HA A 70 VAL HG1% 1.0 . 3.49 659 550 A 67 HIS HBy A 101 VAL HG2% 1.0 . 4.63 660 550 A 67 HIS HBy A 101 VAL HG1% 1.0 . 4.63 661 551 A 102 HIS H A 101 VAL HG2% 1.0 . 4.49 662 551 A 102 HIS H A 101 VAL HG1% 1.0 . 4.49 663 552 A 103 ALA H A 101 VAL HG2% 1.0 . 4.00 664 552 A 101 VAL HG1% A 103 ALA H 1.0 . 4.00 665 553 A 68 PHE HD% A 101 VAL HG2% 1.0 . 4.09 666 553 A 68 PHE HD% A 101 VAL HG1% 1.0 . 4.09 667 554 A 106 ILE HD1% A 106 ILE HA 1.0 . 5.20 668 555 A 93 LEU HBx A 93 LEU HD2% 1.0 . 2.98 669 556 A 104 LEU HA A 104 LEU HD2% 1.0 . 3.88 670 556 A 104 LEU HA A 104 LEU HD1% 1.0 . 3.88 671 557 A 68 PHE HBx A 104 LEU HD2% 1.0 . 4.19 672 557 A 104 LEU HD1% A 68 PHE HBx 1.0 . 4.19 673 558 A 44 LEU HD2% A 44 LEU HBy 1.0 . 3.62 674 559 A 36 ILE HD1% A 104 LEU HD2% 1.0 . 4.63 675 559 A 104 LEU HD1% A 36 ILE HD1% 1.0 . 4.63 676 560 A 44 LEU H A 44 LEU HD2% 1.0 . 4.51 677 561 A 77 PHE HD% A 44 LEU HD2% 1.0 . 5.50 678 562 A 44 LEU HD2% A 76 ARG HD2 1.0 . 4.22 679 562 A 44 LEU HD2% A 76 ARG HD3 1.0 . 4.22 680 563 A 48 VAL HG1% A 114 TRP HE1 1.0 . 4.86 681 564 A 48 VAL HG1% A 48 VAL HA 1.0 . 3.42 682 565 A 48 VAL HG1% A 50 GLU HGx 1.0 . 4.36 683 566 A 49 LEU HA A 48 VAL HG1% 1.0 . 4.36 684 567 A 48 VAL HG1% A 114 TRP HE3 1.0 . 5.19 685 568 A 68 PHE HE% A 36 ILE HG2% 1.0 . 5.50 686 569 A 48 VAL HG1% A 114 TRP HBy 1.0 . 4.08 687 570 A 48 VAL HG1% A 114 TRP HBx 1.0 . 4.15 688 571 A 48 VAL HG1% A 47 GLU HGy 1.0 . 4.40 689 572 A 48 VAL HG1% A 47 GLU HBx 1.0 . 3.86 690 573 A 37 ARG H A 36 ILE HG2% 1.0 . 4.43 691 574 A 36 ILE HA A 36 ILE HG1x 1.0 . 3.52 692 574 A 36 ILE HA A 36 ILE HG1y 1.0 . 3.52 693 575 A 33 GLU HA A 36 ILE HG2% 1.0 . 4.78 694 576 A 40 LEU HG A 36 ILE HG1x 1.0 . 4.27 695 576 A 40 LEU HG A 36 ILE HG1y 1.0 . 4.27 696 577 A 40 LEU HD2% A 36 ILE HG1x 1.0 . 3.14 697 577 A 40 LEU HD2% A 36 ILE HG1y 1.0 . 3.14 698 578 A 106 ILE HA A 106 ILE HG2% 1.0 . 3.56 699 579 A 108 ALA HB% A 86 HIS HD2 1.0 . 4.01 700 580 A 108 ALA HB% A 77 PHE HBy 1.0 . 5.17 701 581 A 108 ALA HB% A 85 ARG HD2 1.0 . 4.50 702 581 A 108 ALA HB% A 85 ARG HD3 1.0 . 4.50 703 582 A 48 VAL HG2% A 114 TRP HE1 1.0 . 4.49 704 583 A 48 VAL HG2% A 47 GLU H 1.0 . 5.29 705 584 A 48 VAL H A 48 VAL HG2% 1.0 . 4.25 706 585 A 48 VAL HG2% A 47 GLU HA 1.0 . 5.02 707 586 A 48 VAL HA A 48 VAL HG2% 1.0 . 3.50 708 587 A 48 VAL HG2% A 47 GLU HGy 1.0 . 5.50 709 588 A 48 VAL HG2% A 73 VAL HG2% 1.0 . 4.17 710 588 A 73 VAL HG1% A 48 VAL HG2% 1.0 . 4.17 711 589 A 114 TRP HE1 A 73 VAL HG2% 1.0 . 5.50 712 589 A 73 VAL HG1% A 114 TRP HE1 1.0 . 5.50 713 590 A 110 THR HA A 73 VAL HG2% 1.0 . 5.15 714 590 A 73 VAL HG1% A 110 THR HA 1.0 . 5.15 715 591 A 114 TRP HBx A 73 VAL HG2% 1.0 . 4.20 716 591 A 73 VAL HG1% A 114 TRP HBx 1.0 . 4.20 717 592 A 48 VAL HG1% A 73 VAL HG2% 1.0 . 3.61 718 592 A 73 VAL HG1% A 48 VAL HG1% 1.0 . 3.61 719 593 A 68 PHE HD% A 36 ILE HD1% 1.0 . 4.74 720 594 A 36 ILE HD1% A 36 ILE HB 1.0 . 3.71 721 595 A 51 LEU HG A 71 ALA H 1.0 . 5.50 722 596 A 71 ALA H A 70 VAL HG1% 1.0 . 4.09 723 597 A 105 ALA H A 69 ARG HB2 1.0 . 5.50 724 597 A 105 ALA H A 69 ARG HB3 1.0 . 5.50 725 598 A 108 ALA H A 107 GLN H 1.0 . 5.50 726 599 A 108 ALA H A 107 GLN HB2 1.0 . 5.50 727 599 A 108 ALA H A 107 GLN HB3 1.0 . 5.50 728 600 A 114 TRP HA A 114 TRP HE1 1.0 . 5.50 729 601 A 115 ARG HA A 114 TRP HE1 1.0 . 5.50 730 602 A 75 SER H A 47 GLU HBx 1.0 . 5.50 731 603 A 72 VAL H A 73 VAL H 1.0 . 5.50 732 604 A 75 SER H A 47 GLU H 1.0 . 5.19 733 605 A 75 SER H A 74 SER HBy 1.0 . 5.50 734 606 A 49 LEU H A 49 LEU HBy 1.0 . 4.06 735 607 A 54 GLU H A 54 GLU HGy 1.0 . 5.15 736 608 A 102 HIS H A 66 THR HA 1.0 . 4.51 737 609 A 102 HIS H A 104 LEU HD2% 1.0 . 5.01 738 609 A 102 HIS H A 104 LEU HD1% 1.0 . 5.01 739 610 A 50 GLU H A 49 LEU H 1.0 . 4.59 740 611 A 50 GLU H A 70 VAL HA 1.0 . 5.38 741 612 A 50 GLU H A 49 LEU HG 1.0 . 5.50 742 613 A 107 GLN H A 106 ILE HB 1.0 . 5.09 743 614 A 16 ILE HA A 17 ASP H 1.0 . 3.55 744 615 A 17 ASP H A 17 ASP HBx 1.0 . 4.15 745 616 A 17 ASP H A 16 ILE HB 1.0 . 4.98 746 617 A 32 VAL H A 32 VAL HB 1.0 . 3.94 747 618 A 16 ILE HG2% A 17 ASP H 1.0 . 5.50 748 619 A 127 LEU H A 127 LEU HD2% 1.0 . 5.50 749 620 A 65 GLU H A 64 SER H 1.0 . 4.43 750 621 A 65 GLU H A 64 SER HBx 1.0 . 4.30 751 622 A 70 VAL H A 105 ALA HB% 1.0 . 4.55 752 623 A 70 VAL H A 70 VAL HG2% 1.0 . 4.20 753 624 A 51 LEU HBy A 70 VAL H 1.0 . 4.61 754 625 A 65 GLU H A 66 THR HA 1.0 . 5.50 755 626 A 53 ASN H A 68 PHE HD% 1.0 . 5.50 756 627 A 53 ASN H A 52 ARG HBx 1.0 . 4.50 757 628 A 110 THR H A 109 ARG H 1.0 . 5.50 758 629 A 109 ARG H A 107 GLN HB2 1.0 . 5.50 759 629 A 109 ARG H A 107 GLN HB3 1.0 . 5.50 760 630 A 109 ARG H A 109 ARG HBx 1.0 . 4.00 761 631 A 33 GLU H A 34 ALA HA 1.0 . 5.41 762 632 A 33 GLU H A 33 GLU HBy 1.0 . 4.01 763 633 A 33 GLU H A 51 LEU HD1% 1.0 . 4.97 764 634 A 33 GLU H A 53 ASN HD21 1.0 . 5.50 765 635 A 121 ASP H A 120 LEU H 1.0 . 4.45 766 636 A 120 LEU H A 119 GLN H 1.0 . 4.74 767 637 A 120 LEU H A 119 GLN HGx 1.0 . 5.07 768 638 A 120 LEU H A 119 GLN HB2 1.0 . 4.44 769 638 A 120 LEU H A 119 GLN HB3 1.0 . 4.44 770 639 A 27 GLY HAy A 28 ALA H 1.0 . 3.29 771 640 A 28 ALA H A 28 ALA HB% 1.0 . 3.51 772 641 A 68 PHE HE% A 69 ARG H 1.0 . 5.50 773 642 A 69 ARG H A 68 PHE HBx 1.0 . 4.61 774 643 A 69 ARG H A 69 ARG HB2 1.0 . 3.89 775 643 A 69 ARG H A 69 ARG HB3 1.0 . 3.89 776 644 A 69 ARG H A 70 VAL HG2% 1.0 . 5.18 777 645 A 81 SER H A 84 GLN H 1.0 . 4.57 778 646 A 81 SER H A 80 LEU HD2% 1.0 . 4.80 779 647 A 106 ILE H A 70 VAL H 1.0 . 5.50 780 648 A 106 ILE H A 105 ALA HA 1.0 . 3.33 781 649 A 106 ILE H A 106 ILE HB 1.0 . 3.75 782 650 A 53 ASN H A 52 ARG H 1.0 . 5.50 783 651 A 52 ARG H A 70 VAL HA 1.0 . 4.90 784 652 A 52 ARG H A 53 ASN HA 1.0 . 5.50 785 653 A 52 ARG H A 52 ARG HDx 1.0 . 5.50 786 654 A 53 ASN HBx A 52 ARG H 1.0 . 5.50 787 655 A 52 ARG H A 52 ARG HBx 1.0 . 3.95 788 656 A 51 LEU HG A 52 ARG H 1.0 . 4.31 789 657 A 52 ARG H A 51 LEU HD1% 1.0 . 4.44 790 658 A 94 ALA H A 93 LEU H 1.0 . 3.74 791 659 A 94 ALA H A 91 ALA HA 1.0 . 4.28 792 660 A 94 ALA H A 93 LEU HBy 1.0 . 4.36 793 661 A 21 GLN HGy A 21 GLN H 1.0 . 5.50 794 662 A 67 HIS H A 66 THR HB 1.0 . 5.50 795 663 A 67 HIS H A 67 HIS HBx 1.0 . 4.15 796 664 A 33 GLU H A 35 ALA H 1.0 . 5.42 797 665 A 96 GLU H A 96 GLU HGx 1.0 . 4.35 798 666 A 104 LEU H A 103 ALA HB% 1.0 . 3.88 799 667 A 76 ARG H A 76 ARG HBx 1.0 . 3.78 800 668 A 47 GLU H A 47 GLU HBy 1.0 . 3.79 801 669 A 76 ARG H A 76 ARG HBy 1.0 . 3.17 802 670 A 41 GLU H A 41 GLU HBx 1.0 . 3.61 803 671 A 41 GLU H A 41 GLU HBy 1.0 . 3.57 804 672 A 119 GLN H A 113 GLN HA 1.0 . 5.43 805 673 A 119 GLN HGx A 119 GLN H 1.0 . 4.63 806 674 A 78 GLU H A 76 ARG HG2 1.0 . 5.50 807 674 A 78 GLU H A 76 ARG HG3 1.0 . 5.50 808 675 A 40 LEU HD2% A 39 LYS H 1.0 . 5.19 809 676 A 29 ILE H A 28 ALA HA 1.0 . 2.90 810 677 A 29 ILE HG2% A 29 ILE H 1.0 . 4.34 811 678 A 39 LYS H A 36 ILE HA 1.0 . 5.18 812 679 A 80 LEU H A 78 GLU HA 1.0 . 4.31 813 680 A 71 ALA H A 72 VAL H 1.0 . 5.50 814 681 A 72 VAL H A 107 GLN HA 1.0 . 5.50 815 682 A 72 VAL H A 72 VAL HB 1.0 . 4.05 816 683 A 72 VAL H A 72 VAL HG1% 1.0 . 3.88 817 684 A 70 VAL HG1% A 72 VAL H 1.0 . 4.97 818 685 A 108 ALA HB% A 72 VAL H 1.0 . 5.24 819 686 A 72 VAL H A 109 ARG HDx 1.0 . 5.50 820 687 A 91 ALA H A 88 LEU H 1.0 . 4.97 821 688 A 86 HIS HBy A 88 LEU H 1.0 . 5.26 822 689 A 88 LEU H A 88 LEU HBy 1.0 . 3.54 823 690 A 104 LEU H A 103 ALA H 1.0 . 5.50 824 691 A 112 ALA H A 114 TRP HBx 1.0 . 5.50 825 692 A 85 ARG H A 85 ARG HB2 1.0 . 4.08 826 692 A 85 ARG H A 85 ARG HB3 1.0 . 4.08 827 693 A 102 HIS H A 103 ALA H 1.0 . 3.68 828 694 A 103 ALA H A 102 HIS HBy 1.0 . 4.58 829 695 A 103 ALA H A 104 LEU HD2% 1.0 . 4.12 830 695 A 104 LEU HD1% A 103 ALA H 1.0 . 4.12 831 696 A 94 ALA H A 92 ALA H 1.0 . 5.41 832 697 A 112 ALA H A 111 PRO HB2 1.0 . 4.18 833 697 A 112 ALA H A 111 PRO HB3 1.0 . 4.18 834 698 A 97 LEU H A 96 GLU HBy 1.0 . 4.09 835 699 A 97 LEU H A 97 LEU HD1% 1.0 . 4.93 836 700 A 112 ALA H A 112 ALA HB% 1.0 . 3.38 837 701 A 97 LEU H A 40 LEU HD1% 1.0 . 5.36 838 702 A 85 ARG H A 81 SER HBx 1.0 . 4.64 839 703 A 89 VAL H A 89 VAL HG2% 1.0 . 4.13 840 704 A 34 ALA H A 33 GLU HBy 1.0 . 4.50 841 705 A 55 SER H A 67 HIS HBy 1.0 . 5.40 842 706 A 34 ALA H A 29 ILE HG2% 1.0 . 5.18 843 707 A 19 PHE H A 17 ASP HA 1.0 . 3.93 844 708 A 19 PHE H A 19 PHE HBx 1.0 . 3.65 845 709 A 40 LEU H A 39 LYS HB2 1.0 . 4.61 846 709 A 40 LEU H A 39 LYS HB3 1.0 . 4.61 847 710 A 40 LEU HD2% A 40 LEU H 1.0 . 3.97 848 711 A 87 ARG H A 88 LEU H 1.0 . 3.90 849 712 A 87 ARG H A 87 ARG HB2 1.0 . 3.25 850 712 A 87 ARG H A 87 ARG HB3 1.0 . 3.25 851 713 A 37 ARG H A 36 ILE H 1.0 . 4.43 852 714 A 37 ARG H A 34 ALA HA 1.0 . 4.92 853 715 A 37 ARG H A 37 ARG HB2 1.0 . 3.54 854 715 A 37 ARG H A 37 ARG HB3 1.0 . 3.54 855 716 A 40 LEU HD2% A 37 ARG H 1.0 . 5.12 856 717 A 115 ARG H A 116 GLU H 1.0 . 3.81 857 718 A 116 GLU H A 115 ARG HB2 1.0 . 3.69 858 718 A 115 ARG HB3 A 116 GLU H 1.0 . 3.69 859 719 A 106 ILE HD1% A 86 HIS H 1.0 . 4.81 860 720 A 37 ARG H A 36 ILE HG1x 1.0 . 4.38 861 720 A 37 ARG H A 36 ILE HG1y 1.0 . 4.38 862 721 A 42 GLU H A 41 GLU HBy 1.0 . 3.40 863 722 A 86 HIS HBy A 84 GLN H 1.0 . 5.32 864 723 A 35 ALA H A 36 ILE H 1.0 . 4.02 865 724 A 33 GLU HA A 36 ILE H 1.0 . 4.88 866 725 A 35 ALA HB% A 36 ILE H 1.0 . 3.73 867 726 A 68 PHE H A 103 ALA H 1.0 . 5.50 868 727 A 68 PHE H A 68 PHE HBy 1.0 . 4.07 869 728 A 68 PHE H A 68 PHE HBx 1.0 . 4.20 870 729 A 68 PHE H A 67 HIS HBx 1.0 . 5.03 871 730 A 68 PHE H A 103 ALA HB% 1.0 . 5.32 872 731 A 42 GLU H A 42 GLU HBx 1.0 . 2.95 873 732 A 43 ALA H A 40 LEU HD1% 1.0 . 5.50 874 733 A 113 GLN H A 114 TRP HBy 1.0 . 5.18 875 734 A 106 ILE HD1% A 90 HIS H 1.0 . 4.66 876 735 A 43 ALA H A 43 ALA HB% 1.0 . 3.38 877 736 A 117 ASN H A 118 SER HA 1.0 . 4.69 878 737 A 117 ASN H A 116 GLU HB2 1.0 . 3.49 879 737 A 116 GLU HB3 A 117 ASN H 1.0 . 3.49 880 738 A 113 GLN H A 112 ALA HB% 1.0 . 4.05 881 739 A 95 GLU H A 96 GLU HGx 1.0 . 5.00 882 740 A 74 SER H A 110 THR HG2% 1.0 . 5.50 883 741 A 74 SER H A 47 GLU HBy 1.0 . 5.50 884 742 A 116 GLU HA A 118 SER H 1.0 . 5.50 885 743 A 116 GLU H A 117 ASN H 1.0 . 3.76 886 744 A 117 ASN HA A 118 SER H 1.0 . 3.55 887 745 A 64 SER H A 62 PRO HG2 1.0 . 5.50 888 745 A 64 SER H A 62 PRO HG3 1.0 . 5.50 889 746 A 60 VAL H A 59 ALA H 1.0 . 4.92 890 747 A 101 VAL H A 99 GLY H 1.0 . 5.20 891 748 A 93 LEU H A 93 LEU HBy 1.0 . 3.42 892 749 A 93 LEU HBx A 93 LEU H 1.0 . 3.87 893 750 A 48 VAL H A 49 LEU HD2% 1.0 . 5.50 894 751 A 33 GLU H A 30 GLY H 1.0 . 5.50 895 752 A 30 GLY H A 29 ILE HB 1.0 . 4.54 896 753 A 48 VAL H A 47 GLU HGx 1.0 . 4.81 897 754 A 48 VAL H A 47 GLU HBy 1.0 . 3.63 898 755 A 48 VAL H A 47 GLU HBx 1.0 . 3.70 899 756 A 48 VAL H A 73 VAL HB 1.0 . 3.59 900 757 A 80 LEU HA A 79 GLY H 1.0 . 5.50 901 758 A 45 SER H A 44 LEU HBx 1.0 . 5.50 902 759 A 39 LYS H A 38 THR H 1.0 . 3.64 903 760 A 38 THR H A 37 ARG HDy 1.0 . 5.50 904 761 A 38 THR H A 37 ARG HGx 1.0 . 4.40 905 762 A 21 GLN H A 20 THR H 1.0 . 4.10 906 763 A 19 PHE HBx A 20 THR H 1.0 . 4.64 907 764 A 45 SER H A 18 PRO HGy 1.0 . 5.43 908 765 A 45 SER H A 44 LEU HBy 1.0 . 4.75 909 766 A 45 SER H A 43 ALA HB% 1.0 . 4.84 910 767 A 45 SER H A 40 LEU HD1% 1.0 . 5.50 911 768 A 110 THR H A 109 ARG HDy 1.0 . 5.50 912 769 A 119 GLN HE21 A 113 GLN HA 1.0 . 5.50 913 770 A 110 THR H A 114 TRP H 1.0 . 5.50 914 771 A 84 GLN HE21 A 80 LEU HA 1.0 . 3.85 915 772 A 77 PHE H A 74 SER HBx 1.0 . 4.54 916 773 A 53 ASN HD22 A 65 GLU HBy 1.0 . 5.50 917 774 A 65 GLU HA A 53 ASN HD21 1.0 . 4.71 918 775 A 77 PHE H A 76 ARG HBy 1.0 . 4.47 919 776 A 44 LEU H A 45 SER HA 1.0 . 4.20 920 777 A 44 LEU H A 46 PRO HDx 1.0 . 4.16 921 778 A 44 LEU H A 76 ARG HD2 1.0 . 5.50 922 778 A 44 LEU H A 76 ARG HD3 1.0 . 5.50 923 779 A 44 LEU H A 44 LEU HBy 1.0 . 3.87 924 780 A 44 LEU H A 44 LEU HBx 1.0 . 4.15 925 781 A 44 LEU H A 40 LEU HD1% 1.0 . 4.51 926 782 A 28 ALA H A 27 GLY H 1.0 . 5.50 927 783 A 21 GLN HE21 A 21 GLN HA 1.0 . 5.50 928 784 A 21 GLN HA A 21 GLN HE22 1.0 . 5.14 929 785 A 135 GLY H A 134 LEU HG 1.0 . 5.50 930 786 A 128 GLY H A 127 LEU HB2 1.0 . 5.50 931 786 A 127 LEU HB3 A 128 GLY H 1.0 . 5.50 932 787 A 25 GLY H A 26 SER H 1.0 . 3.49 933 788 A 25 GLY H A 24 ALA HB% 1.0 . 5.50 934 789 A 67 HIS H A 66 THR H 1.0 . 2.62 935 790 A 99 GLY H A 98 GLY HAx 1.0 . 3.32 936 791 A 99 GLY H A 100 PRO HDx 1.0 . 3.95 937 792 A 99 GLY H A 100 PRO HBx 1.0 . 5.50 938 793 A 57 GLY H A 56 GLY H 1.0 . 4.63 939 794 A 56 GLY H A 55 SER HB2 1.0 . 3.69 940 794 A 55 SER HB3 A 56 GLY H 1.0 . 3.69 941 795 A 96 GLU HBy A 98 GLY H 1.0 . 5.50 942 796 A 114 TRP HBx A 111 PRO HA 1.0 . 4.08 943 797 A 38 THR HA A 41 GLU HBy 1.0 . 3.24 944 798 A 93 LEU H A 89 VAL HA 1.0 . 3.56 945 799 A 111 PRO HA A 73 VAL HG2% 1.0 . 5.50 946 800 A 40 LEU HD2% A 36 ILE HA 1.0 . 3.50 947 801 A 36 ILE HA A 36 ILE HG1y 1.0 . 3.40 948 802 A 40 LEU HG A 36 ILE HA 1.0 . 5.06 949 803 A 60 VAL HG2% A 64 SER HBx 1.0 . 4.31 950 804 A 36 ILE HD1% A 36 ILE HA 1.0 . 4.72 951 805 A 76 ARG H A 74 SER HBx 1.0 . 5.12 952 806 A 47 GLU H A 46 PRO HA 1.0 . 3.14 953 807 A 74 SER HBy A 46 PRO HA 1.0 . 4.39 954 808 A 102 HIS H A 101 VAL HA 1.0 . 3.54 955 809 A 101 VAL HA A 101 VAL HG2% 1.0 . 3.67 956 809 A 101 VAL HG1% A 101 VAL HA 1.0 . 3.67 957 810 A 45 SER H A 45 SER HBy 1.0 . 3.96 958 811 A 45 SER H A 45 SER HBx 1.0 . 4.13 959 812 A 119 GLN H A 118 SER HBy 1.0 . 5.11 960 813 A 122 THR HA A 122 THR HB 1.0 . 2.40 961 814 A 96 GLU HGx A 96 GLU HA 1.0 . 3.48 962 815 A 106 ILE HA A 70 VAL H 1.0 . 4.38 963 816 A 106 ILE HA A 70 VAL HG2% 1.0 . 4.55 964 817 A 49 LEU HD2% A 37 ARG HA 1.0 . 3.70 965 818 A 33 GLU HGy A 33 GLU HA 1.0 . 4.09 966 819 A 33 GLU HA A 32 VAL HG2% 1.0 . 4.10 967 820 A 73 VAL HA A 73 VAL HG2% 1.0 . 4.11 968 821 A 70 VAL HA A 70 VAL HG1% 1.0 . 3.57 969 822 A 114 TRP HA A 73 VAL HG2% 1.0 . 5.00 970 823 A 95 GLU HA A 95 GLU HG2 1.0 . 3.68 971 823 A 95 GLU HA A 95 GLU HG3 1.0 . 3.68 972 824 A 95 GLU HA A 95 GLU HB2 1.0 . 2.94 973 824 A 95 GLU HB3 A 95 GLU HA 1.0 . 2.94 974 825 A 70 VAL HA A 51 LEU HBx 1.0 . 4.73 975 826 A 113 GLN HA A 119 GLN HE22 1.0 . 4.51 976 827 A 126 CYS HA A 127 LEU HD1% 1.0 . 5.48 977 828 A 23 SER HA A 23 SER HBy 1.0 . 2.90 978 829 A 80 LEU HD2% A 78 GLU HA 1.0 . 5.50 979 830 A 72 VAL HA A 70 VAL HG1% 1.0 . 4.36 980 831 A 45 SER HA A 46 PRO HDx 1.0 . 3.09 981 832 A 116 GLU HA A 116 GLU HB2 1.0 . 2.98 982 832 A 116 GLU HB3 A 116 GLU HA 1.0 . 2.98 983 833 A 78 GLU HA A 110 THR HG2% 1.0 . 3.74 984 834 A 115 ARG HA A 115 ARG HGx 1.0 . 3.78 985 835 A 53 ASN HBx A 68 PHE HA 1.0 . 4.27 986 836 A 54 GLU HGy A 54 GLU HA 1.0 . 3.97 987 837 A 21 GLN HGy A 21 GLN HA 1.0 . 4.15 988 838 A 112 ALA HA A 115 ARG HGy 1.0 . 3.84 989 839 A 29 ILE HB A 34 ALA HA 1.0 . 4.07 990 840 A 70 VAL H A 69 ARG HA 1.0 . 3.24 991 841 A 120 LEU HA A 120 LEU HG 1.0 . 2.96 992 842 A 80 LEU HA A 80 LEU HBx 1.0 . 3.00 993 843 A 109 ARG HA A 109 ARG HDx 1.0 . 5.32 994 844 A 17 ASP HA A 18 PRO HDx 1.0 . 3.27 995 845 A 28 ALA H A 28 ALA HA 1.0 . 2.93 996 846 A 100 PRO HDy A 101 VAL HG2% 1.0 . 5.50 997 846 A 101 VAL HG1% A 100 PRO HDy 1.0 . 5.50 998 847 A 44 LEU HD1% A 46 PRO HDx 1.0 . 5.50 999 848 A 71 ALA HA A 107 GLN HB2 1.0 . 3.51 1000 848 A 71 ALA HA A 107 GLN HB3 1.0 . 3.51 1001 849 A 71 ALA HA A 72 VAL HG1% 1.0 . 5.50 1002 850 A 108 ALA HA A 107 GLN HB2 1.0 . 4.73 1003 850 A 108 ALA HA A 107 GLN HB3 1.0 . 4.73 1004 851 A 44 LEU HD1% A 46 PRO HDy 1.0 . 5.06 1005 852 A 46 PRO HDx A 43 ALA HB% 1.0 . 4.88 1006 853 A 111 PRO HDy A 110 THR HB 1.0 . 3.76 1007 854 A 50 GLU HA A 51 LEU HBx 1.0 . 5.22 1008 855 A 69 ARG H A 68 PHE HBy 1.0 . 4.30 1009 856 A 104 LEU HD1% A 68 PHE HBy 1.0 . 4.15 1010 857 A 70 VAL HG1% A 51 LEU HBy 1.0 . 3.89 1011 858 A 104 LEU HBy A 104 LEU HD2% 1.0 . 3.74 1012 859 A 70 VAL HG1% A 51 LEU HBx 1.0 . 3.88 1013 860 A 104 LEU HBx A 104 LEU HD2% 1.0 . 3.75 1014 861 A 79 GLY HAx A 78 GLU HG2 1.0 . 5.21 1015 861 A 78 GLU HG3 A 79 GLY HAx 1.0 . 5.21 1016 862 A 80 LEU HBy A 80 LEU HD2% 1.0 . 3.76 1017 863 A 46 PRO HDx A 44 LEU HBx 1.0 . 5.26 1018 864 A 109 ARG HDy A 73 VAL HG2% 1.0 . 5.50 1019 865 A 70 VAL H A 69 ARG HDy 1.0 . 4.97 1020 866 A 109 ARG HA A 109 ARG HDy 1.0 . 4.63 1021 867 A 87 ARG HDy A 87 ARG HB2 1.0 . 4.18 1022 867 A 87 ARG HB3 A 87 ARG HDy 1.0 . 4.18 1023 868 A 88 LEU HBx A 88 LEU HD2% 1.0 . 3.52 1024 868 A 88 LEU HBx A 88 LEU HD1% 1.0 . 3.52 1025 869 A 76 ARG HD2 A 76 ARG HG2 1.0 . 2.99 1026 869 A 76 ARG HD3 A 76 ARG HG2 1.0 . 2.99 1027 869 A 76 ARG HG3 A 76 ARG HD2 1.0 . 2.99 1028 869 A 76 ARG HD3 A 76 ARG HG3 1.0 . 2.99 1029 870 A 120 LEU HBy A 120 LEU HD2% 1.0 . 3.51 1030 871 A 127 LEU HD2% A 127 LEU HB2 1.0 . 3.31 1031 871 A 127 LEU HB3 A 127 LEU HD2% 1.0 . 3.31 1032 872 A 133 THR H A 134 LEU HBx 1.0 . 4.93 1033 873 A 135 GLY H A 134 LEU HBx 1.0 . 5.16 1034 874 A 84 GLN H A 83 LEU HBx 1.0 . 4.55 1035 875 A 40 LEU HD2% A 40 LEU HBx 1.0 . 3.64 1036 876 A 96 GLU HGy A 93 LEU HD1% 1.0 . 4.41 1037 877 A 77 PHE HBx A 110 THR HG2% 1.0 . 5.16 1038 878 A 36 ILE HB A 36 ILE H 1.0 . 3.84 1039 879 A 40 LEU HD2% A 36 ILE HB 1.0 . 4.08 1040 880 A 41 GLU HGy A 41 GLU HA 1.0 . 4.16 1041 881 A 33 GLU H A 33 GLU HGx 1.0 . 4.85 1042 882 A 42 GLU H A 41 GLU HGx 1.0 . 5.31 1043 883 A 41 GLU HA A 41 GLU HGx 1.0 . 3.65 1044 884 A 33 GLU HGx A 51 LEU HD1% 1.0 . 4.25 1045 885 A 54 GLU HA A 54 GLU HGx 1.0 . 3.85 1046 886 A 78 GLU H A 78 GLU HG2 1.0 . 4.15 1047 886 A 78 GLU H A 78 GLU HG3 1.0 . 4.15 1048 887 A 116 GLU HA A 116 GLU HG2 1.0 . 3.36 1049 887 A 116 GLU HG3 A 116 GLU HA 1.0 . 3.36 1050 888 A 42 GLU H A 42 GLU HGx 1.0 . 4.93 1051 889 A 73 VAL HG1% A 48 VAL HB 1.0 . 4.12 1052 890 A 50 GLU H A 50 GLU HGy 1.0 . 4.44 1053 891 A 71 ALA HB% A 50 GLU HGy 1.0 . 4.94 1054 892 A 50 GLU HA A 50 GLU HGx 1.0 . 4.11 1055 893 A 110 THR H A 109 ARG HBx 1.0 . 4.01 1056 894 A 109 ARG HBx A 73 VAL HG2% 1.0 . 4.81 1057 895 A 84 GLN HE21 A 84 GLN HG2 1.0 . 3.95 1058 895 A 84 GLN HE21 A 84 GLN HG3 1.0 . 3.95 1059 896 A 84 GLN HA A 84 GLN HG2 1.0 . 4.09 1060 896 A 84 GLN HG3 A 84 GLN HA 1.0 . 4.09 1061 897 A 109 ARG HBy A 110 THR HG2% 1.0 . 5.34 1062 898 A 21 GLN HGy A 21 GLN HB2 1.0 . 2.94 1063 898 A 21 GLN HB3 A 21 GLN HGy 1.0 . 2.94 1064 899 A 52 ARG HBx A 52 ARG HDx 1.0 . 4.05 1065 900 A 40 LEU HD2% A 39 LYS HB2 1.0 . 4.00 1066 900 A 40 LEU HD2% A 39 LYS HB3 1.0 . 4.00 1067 901 A 60 VAL HG2% A 58 HIS HBy 1.0 . 4.89 1068 902 A 45 SER HA A 18 PRO HBx 1.0 . 4.34 1069 903 A 114 TRP HBx A 115 ARG HGy 1.0 . 5.46 1070 904 A 50 GLU HBy A 51 LEU H 1.0 . 4.02 1071 905 A 48 VAL HG1% A 47 GLU HBy 1.0 . 5.36 1072 906 A 114 TRP HBy A 111 PRO HA 1.0 . 4.63 1073 907 A 114 TRP HBy A 73 VAL HG2% 1.0 . 4.72 1074 908 A 114 TRP HBx A 115 ARG HB2 1.0 . 5.30 1075 908 A 114 TRP HBx A 115 ARG HB3 1.0 . 5.30 1076 909 A 114 TRP HBx A 73 VAL HG2% 1.0 . 4.55 1077 910 A 86 HIS HBx A 87 ARG H 1.0 . 3.96 1078 911 A 38 THR H A 37 ARG HB2 1.0 . 3.45 1079 911 A 38 THR H A 37 ARG HB3 1.0 . 3.45 1080 912 A 132 LYS HD3 A 132 LYS HG2 1.0 . 2.40 1081 912 A 132 LYS HD2 A 132 LYS HG2 1.0 . 2.40 1082 912 A 132 LYS HG3 A 132 LYS HD2 1.0 . 2.40 1083 912 A 132 LYS HG3 A 132 LYS HD3 1.0 . 2.40 1084 913 A 127 LEU H A 126 CYS HB2 1.0 . 5.18 1085 913 A 127 LEU H A 126 CYS HB3 1.0 . 5.18 1086 914 A 106 ILE H A 106 ILE HG1y 1.0 . 5.31 1087 915 A 44 LEU HD1% A 46 PRO HA 1.0 . 4.72 1088 916 A 44 LEU HD1% A 46 PRO HG2 1.0 . 4.93 1089 916 A 44 LEU HD1% A 46 PRO HG3 1.0 . 4.93 1090 917 A 36 ILE H A 36 ILE HG1y 1.0 . 4.63 1091 918 A 106 ILE H A 106 ILE HG1x 1.0 . 5.03 1092 919 A 86 HIS HBy A 85 ARG HG2 1.0 . 3.70 1093 919 A 86 HIS HBy A 85 ARG HG3 1.0 . 3.70 1094 920 A 80 LEU HG A 79 GLY H 1.0 . 5.48 1095 921 A 134 LEU HG A 134 LEU HA 1.0 . 3.90 1096 922 A 44 LEU HG A 46 PRO HDx 1.0 . 3.67 1097 923 A 88 LEU H A 88 LEU HG 1.0 . 4.36 1098 924 A 49 LEU HD1% A 24 ALA H 1.0 . 4.75 1099 925 A 36 ILE HD1% A 51 LEU HD1% 1.0 . 4.56 1100 926 A 104 LEU H A 104 LEU HD1% 1.0 . 4.99 1101 927 A 104 LEU HA A 104 LEU HD1% 1.0 . 4.98 1102 928 A 104 LEU HD1% A 36 ILE HD1% 1.0 . 4.87 1103 929 A 80 LEU HD1% A 77 PHE HA 1.0 . 3.69 1104 930 A 80 LEU HD1% A 84 GLN HG2 1.0 . 4.93 1105 930 A 80 LEU HD1% A 84 GLN HG3 1.0 . 4.93 1106 931 A 80 LEU HD1% A 79 GLY HAy 1.0 . 4.70 1107 932 A 49 LEU HD2% A 36 ILE HD1% 1.0 . 4.65 1108 933 A 104 LEU HA A 104 LEU HD2% 1.0 . 3.80 1109 934 A 78 GLU H A 110 THR HG2% 1.0 . 5.21 1110 935 A 111 PRO HDx A 110 THR HG2% 1.0 . 5.16 1111 936 A 32 VAL H A 32 VAL HG1% 1.0 . 3.89 1112 937 A 32 VAL HA A 32 VAL HG1% 1.0 . 3.54 1113 938 A 80 LEU HD2% A 85 ARG HD2 1.0 . 3.96 1114 938 A 80 LEU HD2% A 85 ARG HD3 1.0 . 3.96 1115 939 A 121 ASP H A 122 THR HG2% 1.0 . 4.12 1116 940 A 133 THR HA A 133 THR HG2% 1.0 . 3.15 1117 941 A 60 VAL HG1% A 60 VAL HA 1.0 . 3.68 1118 942 A 60 VAL HG1% A 64 SER HBx 1.0 . 4.45 1119 943 A 73 VAL H A 72 VAL HG1% 1.0 . 4.02 1120 944 A 36 ILE HD1% A 32 VAL HG2% 1.0 . 4.23 1121 945 A 50 GLU H A 70 VAL HG1% 1.0 . 3.71 1122 946 A 32 VAL H A 32 VAL HG2% 1.0 . 4.80 1123 947 A 33 GLU H A 32 VAL HG2% 1.0 . 3.73 1124 948 A 48 VAL HG1% A 114 TRP HZ3 1.0 . 4.46 1125 949 A 73 VAL HG1% A 48 VAL HG1% 1.0 . 3.66 1126 950 A 48 VAL HG1% A 111 PRO HB2 1.0 . 5.18 1127 950 A 48 VAL HG1% A 111 PRO HB3 1.0 . 5.18 1128 951 A 106 ILE H A 105 ALA HB% 1.0 . 3.47 1129 952 A 71 ALA HB% A 71 ALA H 1.0 . 3.65 1130 953 A 71 ALA HB% A 107 GLN HB2 1.0 . 3.45 1131 953 A 71 ALA HB% A 107 GLN HB3 1.0 . 3.45 1132 954 A 72 VAL HG2% A 73 VAL H 1.0 . 5.05 1133 955 A 72 VAL HG2% A 108 ALA HB% 1.0 . 4.05 1134 956 A 108 ALA HB% A 85 ARG HB2 1.0 . 4.57 1135 956 A 108 ALA HB% A 85 ARG HB3 1.0 . 4.57 1136 957 A 73 VAL HG1% A 48 VAL HG2% 1.0 . 4.33 1137 958 A 60 VAL HG2% A 60 VAL HA 1.0 . 4.10 1138 959 A 95 GLU H A 94 ALA HB% 1.0 . 3.42 1139 960 A 107 GLN H A 106 ILE HG2% 1.0 . 4.13 1140 961 A 91 ALA H A 91 ALA HB% 1.0 . 3.25 1141 962 A 92 ALA H A 91 ALA HB% 1.0 . 3.57 1142 963 A 49 LEU HD1% A 24 ALA HB% 1.0 . 4.22 1143 964 A 92 ALA HB% A 93 LEU H 1.0 . 3.25 1144 965 A 93 LEU HD1% A 92 ALA HB% 1.0 . 3.73 1145 966 A 16 ILE HG2% A 16 ILE HG1x 1.0 . 3.87 1146 967 A 36 ILE H A 36 ILE HG2% 1.0 . 4.20 1147 968 A 40 LEU HG A 36 ILE HG2% 1.0 . 4.74 1148 969 A 29 ILE HG2% A 34 ALA HA 1.0 . 4.15 1149 970 A 29 ILE HG2% A 28 ALA H 1.0 . 4.23 1150 971 A 29 ILE HG2% A 29 ILE HA 1.0 . 3.60 1151 972 A 16 ILE HG2% A 16 ILE HD1% 1.0 . 2.40 1152 973 A 106 ILE HD1% A 89 VAL H 1.0 . 5.50 1153 974 A 106 ILE HD1% A 107 GLN HA 1.0 . 4.69 1154 975 A 40 LEU HD2% A 36 ILE HD1% 1.0 . 3.82 1155 976 A 36 ILE HD1% A 36 ILE HG2% 1.0 . 3.85 1156 977 A 36 ILE HD1% A 36 ILE H 1.0 . 4.62 1157 978 A 33 GLU HA A 36 ILE HD1% 1.0 . 4.50 1158 979 A 91 ALA H A 93 LEU H 1.0 . 4.79 1159 980 A 90 HIS H A 93 LEU H 1.0 . 4.32 1160 981 A 93 LEU H A 90 HIS HA 1.0 . 4.26 1161 982 A 96 GLU H A 94 ALA HA 1.0 . 4.10 1162 983 A 97 LEU H A 99 GLY H 1.0 . 5.30 1163 984 A 97 LEU H A 94 ALA HA 1.0 . 3.84 1164 985 A 98 GLY H A 101 VAL H 1.0 . 5.90 1165 986 A 98 GLY H A 95 GLU HA 1.0 . 3.84 1166 987 A 66 THR HG2% A 64 SER HBy 1.0 . 5.00 1167 988 A 66 THR HG2% A 64 SER HBx 1.0 . 5.00 1168 989 A 60 VAL HG2% A 64 SER HBx 1.0 . 3.30 1169 990 A 60 VAL HG1% A 64 SER HBx 1.0 . 4.30 1170 991 A 60 VAL HG2% A 58 HIS HBy 1.0 . 4.00 1171 992 A 60 VAL HG2% A 58 HIS HBx 1.0 . 4.50 1172 993 A 60 VAL HB A 58 HIS HBy 1.0 . 5.00 1173 994 A 60 VAL HB A 58 HIS HBx 1.0 . 6.00 1174 995 A 66 THR HG2% A 58 HIS HBy 1.0 . 5.00 1175 996 A 66 THR HG2% A 58 HIS HBx 1.0 . 5.00 1176 997 A 58 HIS HD2 A 54 GLU HGy 1.0 . 5.26 1177 998 A 58 HIS HD2 A 54 GLU HGx 1.0 . 5.26 1178 999 A 58 HIS HD2 A 55 SER HB2 1.0 . 5.13 1179 999 A 55 SER HB3 A 58 HIS HD2 1.0 . 5.13 1180 1000 A 60 VAL HG1% A 58 HIS HD2 1.0 . 6.00 1181 1001 A 60 VAL HG2% A 58 HIS HD2 1.0 . 4.93 1182 1002 A 58 HIS HD2 A 54 GLU HB2 1.0 . 5.29 1183 1002 A 54 GLU HB3 A 58 HIS HD2 1.0 . 5.29 1184 1003 A 101 VAL HG1% A 102 HIS HD2 1.0 . 5.45 1185 1004 A 58 HIS HD2 A 67 HIS HBx 1.0 . 6.00 1186 1005 A 67 HIS HBy A 58 HIS HD2 1.0 . 5.50 1187 1006 A 67 HIS HD2 A 58 HIS HD2 1.0 . 5.40 1188 1007 A 66 THR H A 67 HIS HD2 1.0 . 5.23 1189 1008 A 68 PHE H A 67 HIS HD2 1.0 . 4.70 1190 1009 A 104 LEU H A 67 HIS HD2 1.0 . 6.00 1191 1010 A 55 SER H A 67 HIS HD2 1.0 . 5.94 1192 1011 A 67 HIS HD2 A 102 HIS HD2 1.0 . 5.79 1193 1012 A 67 HIS HD2 A 55 SER HA 1.0 . 5.50 1194 1013 A 103 ALA HA A 67 HIS HD2 1.0 . 4.96 1195 1014 A 101 VAL HG1% A 99 GLY H 1.0 . 5.60 1196 1015 A 99 GLY H A 101 VAL HG2% 1.0 . 5.13 1197 1016 A 99 GLY H A 97 LEU HBy 1.0 . 4.62 1198 1017 A 97 LEU HBx A 99 GLY H 1.0 . 5.00 1199 1018 A 98 GLY H A 96 GLU HGx 1.0 . 6.00 1200 1019 A 98 GLY H A 101 VAL HG1% 1.0 . 6.00 1201 1020 A 98 GLY H A 101 VAL HG2% 1.0 . 5.87 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _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 31 PRO N A 31 PRO CA A 31 PRO C A 32 VAL N 1.0 125.2 165.2 PSI 2 2 A 31 PRO C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -78.1 -38.1 PHI 3 3 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 GLU N 1.0 -58.2 -9.6 PSI 4 4 A 32 VAL C A 33 GLU N A 33 GLU CA A 33 GLU C 1.0 -80.6 -40.6 PHI 5 5 A 33 GLU N A 33 GLU CA A 33 GLU C A 34 ALA N 1.0 -66.2 -26.2 PSI 6 6 A 33 GLU C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -81.7 -41.7 PHI 7 7 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 ALA N 1.0 -59.8 -19.8 PSI 8 8 A 34 ALA C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -84.2 -44.2 PHI 9 9 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 ILE N 1.0 -64.1 -24.1 PSI 10 10 A 35 ALA C A 36 ILE N A 36 ILE CA A 36 ILE C 1.0 -83.6 -43.6 PHI 11 11 A 36 ILE N A 36 ILE CA A 36 ILE C A 37 ARG N 1.0 -62.3 -22.3 PSI 12 12 A 36 ILE C A 37 ARG N A 37 ARG CA A 37 ARG C 1.0 -80.3 -40.3 PHI 13 13 A 37 ARG N A 37 ARG CA A 37 ARG C A 38 THR N 1.0 -61.4 -21.4 PSI 14 14 A 37 ARG C A 38 THR N A 38 THR CA A 38 THR C 1.0 -81.7 -41.7 PHI 15 15 A 38 THR N A 38 THR CA A 38 THR C A 39 LYS N 1.0 -63.3 -23.3 PSI 16 16 A 38 THR C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -82.2 -42.2 PHI 17 17 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 LEU N 1.0 -64.8 -24.8 PSI 18 18 A 39 LYS C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -82.5 -42.5 PHI 19 19 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 GLU N 1.0 -57.3 -17.3 PSI 20 20 A 40 LEU C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -85.2 -45.2 PHI 21 21 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 GLU N 1.0 -62.1 -22.1 PSI 22 22 A 41 GLU C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -88.2 -48.2 PHI 23 23 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 ALA N 1.0 -60.3 -20.3 PSI 24 24 A 42 GLU C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -98.1 -53.1 PHI 25 25 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 LEU N 1.0 -55.3 -15.3 PSI 26 26 A 43 ALA C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -128.4 -77.3 PHI 27 27 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 SER N 1.0 -44.0 31.1 PSI 28 28 A 46 PRO N A 46 PRO CA A 46 PRO C A 47 GLU N 1.0 127.5 167.5 PSI 29 29 A 46 PRO C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -121.8 -68.5 PHI 30 30 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 VAL N 1.0 -75.9 14.7 PSI 31 31 A 48 VAL C A 49 LEU N A 49 LEU CA A 49 LEU C 1.0 -160.6 -58.7 PHI 32 32 A 49 LEU N A 49 LEU CA A 49 LEU C A 50 GLU N 1.0 106.3 151.0 PSI 33 33 A 49 LEU C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -142.4 -73.0 PHI 34 34 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 LEU N 1.0 101.5 155.1 PSI 35 35 A 50 GLU C A 51 LEU N A 51 LEU CA A 51 LEU C 1.0 -143.1 -94.3 PHI 36 36 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 ARG N 1.0 103.6 165.9 PSI 37 37 A 51 LEU C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -167.4 -87.2 PHI 38 38 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 ASN N 1.0 105.4 166.3 PSI 39 39 A 52 ARG C A 53 ASN N A 53 ASN CA A 53 ASN C 1.0 -104.0 -64.0 PHI 40 40 A 53 ASN N A 53 ASN CA A 53 ASN C A 54 GLU N 1.0 95.8 142.0 PSI 41 41 A 54 GLU C A 55 SER N A 55 SER CA A 55 SER C 1.0 -79.6 -39.6 PHI 42 42 A 55 SER N A 55 SER CA A 55 SER C A 56 GLY N 1.0 -56.0 -11.3 PSI 43 43 A 55 SER C A 56 GLY N A 56 GLY CA A 56 GLY C 1.0 -110.7 -70.7 PHI 44 44 A 56 GLY N A 56 GLY CA A 56 GLY C A 57 GLY N 1.0 -14.8 25.2 PSI 45 45 A 61 PRO N A 61 PRO CA A 61 PRO C A 62 PRO N 1.0 125.1 165.1 PSI 46 46 A 62 PRO N A 62 PRO CA A 62 PRO C A 63 GLY N 1.0 117.9 161.9 PSI 47 47 A 62 PRO C A 63 GLY N A 63 GLY CA A 63 GLY C 1.0 69.7 116.8 PHI 48 48 A 63 GLY N A 63 GLY CA A 63 GLY C A 64 SER N 1.0 -32.2 7.8 PSI 49 49 A 63 GLY C A 64 SER N A 64 SER CA A 64 SER C 1.0 -94.9 -54.0 PHI 50 50 A 64 SER N A 64 SER CA A 64 SER C A 65 GLU N 1.0 122.6 166.9 PSI 51 51 A 66 THR C A 67 HIS N A 67 HIS CA A 67 HIS C 1.0 -139.5 -44.6 PHI 52 52 A 67 HIS N A 67 HIS CA A 67 HIS C A 68 PHE N 1.0 126.4 172.9 PSI 53 53 A 67 HIS C A 68 PHE N A 68 PHE CA A 68 PHE C 1.0 -166.1 -105.0 PHI 54 54 A 68 PHE N A 68 PHE CA A 68 PHE C A 69 ARG N 1.0 128.4 172.3 PSI 55 55 A 68 PHE C A 69 ARG N A 69 ARG CA A 69 ARG C 1.0 -161.7 -90.8 PHI 56 56 A 69 ARG N A 69 ARG CA A 69 ARG C A 70 VAL N 1.0 103.6 146.9 PSI 57 57 A 69 ARG C A 70 VAL N A 70 VAL CA A 70 VAL C 1.0 -150.9 -88.2 PHI 58 58 A 70 VAL N A 70 VAL CA A 70 VAL C A 71 ALA N 1.0 106.5 155.0 PSI 59 59 A 70 VAL C A 71 ALA N A 71 ALA CA A 71 ALA C 1.0 -148.2 -77.4 PHI 60 60 A 71 ALA N A 71 ALA CA A 71 ALA C A 72 VAL N 1.0 106.2 146.2 PSI 61 61 A 71 ALA C A 72 VAL N A 72 VAL CA A 72 VAL C 1.0 -148.4 -95.8 PHI 62 62 A 72 VAL N A 72 VAL CA A 72 VAL C A 73 VAL N 1.0 104.9 159.1 PSI 63 63 A 72 VAL C A 73 VAL N A 73 VAL CA A 73 VAL C 1.0 -138.1 -98.1 PHI 64 64 A 73 VAL N A 73 VAL CA A 73 VAL C A 74 SER N 1.0 110.7 155.8 PSI 65 65 A 73 VAL C A 74 SER N A 74 SER CA A 74 SER C 1.0 -159.0 -51.5 PHI 66 66 A 74 SER N A 74 SER CA A 74 SER C A 75 SER N 1.0 93.3 156.5 PSI 67 67 A 74 SER C A 75 SER N A 75 SER CA A 75 SER C 1.0 -78.3 -38.3 PHI 68 68 A 75 SER N A 75 SER CA A 75 SER C A 76 ARG N 1.0 -61.6 0.3 PSI 69 69 A 75 SER C A 76 ARG N A 76 ARG CA A 76 ARG C 1.0 -97.5 -45.2 PHI 70 70 A 76 ARG N A 76 ARG CA A 76 ARG C A 77 PHE N 1.0 -39.9 6.6 PSI 71 71 A 76 ARG C A 77 PHE N A 77 PHE CA A 77 PHE C 1.0 -124.1 -77.2 PHI 72 72 A 77 PHE N A 77 PHE CA A 77 PHE C A 78 GLU N 1.0 -16.1 33.7 PSI 73 73 A 77 PHE C A 78 GLU N A 78 GLU CA A 78 GLU C 1.0 -80.2 -40.2 PHI 74 74 A 78 GLU N A 78 GLU CA A 78 GLU C A 79 GLY N 1.0 113.1 153.1 PSI 75 75 A 78 GLU C A 79 GLY N A 79 GLY CA A 79 GLY C 1.0 58.4 113.4 PHI 76 76 A 79 GLY N A 79 GLY CA A 79 GLY C A 80 LEU N 1.0 -30.9 24.0 PSI 77 77 A 80 LEU C A 81 SER N A 81 SER CA A 81 SER C 1.0 -143.5 -37.3 PHI 78 78 A 81 SER N A 81 SER CA A 81 SER C A 82 PRO N 1.0 95.8 196.2 PSI 79 79 A 82 PRO C A 83 LEU N A 83 LEU CA A 83 LEU C 1.0 -81.0 -41.0 PHI 80 80 A 83 LEU N A 83 LEU CA A 83 LEU C A 84 GLN N 1.0 -57.0 -17.0 PSI 81 81 A 83 LEU C A 84 GLN N A 84 GLN CA A 84 GLN C 1.0 -83.3 -43.3 PHI 82 82 A 84 GLN N A 84 GLN CA A 84 GLN C A 85 ARG N 1.0 -61.0 -21.0 PSI 83 83 A 84 GLN C A 85 ARG N A 85 ARG CA A 85 ARG C 1.0 -82.8 -42.8 PHI 84 84 A 85 ARG N A 85 ARG CA A 85 ARG C A 86 HIS N 1.0 -60.6 -20.6 PSI 85 85 A 85 ARG C A 86 HIS N A 86 HIS CA A 86 HIS C 1.0 -80.7 -40.7 PHI 86 86 A 86 HIS N A 86 HIS CA A 86 HIS C A 87 ARG N 1.0 -64.5 -24.5 PSI 87 87 A 86 HIS C A 87 ARG N A 87 ARG CA A 87 ARG C 1.0 -82.8 -42.8 PHI 88 88 A 87 ARG N A 87 ARG CA A 87 ARG C A 88 LEU N 1.0 -64.0 -24.0 PSI 89 89 A 87 ARG C A 88 LEU N A 88 LEU CA A 88 LEU C 1.0 -85.0 -45.0 PHI 90 90 A 88 LEU N A 88 LEU CA A 88 LEU C A 89 VAL N 1.0 -62.5 -22.5 PSI 91 91 A 88 LEU C A 89 VAL N A 89 VAL CA A 89 VAL C 1.0 -85.7 -45.7 PHI 92 92 A 89 VAL N A 89 VAL CA A 89 VAL C A 90 HIS N 1.0 -62.6 -22.6 PSI 93 93 A 89 VAL C A 90 HIS N A 90 HIS CA A 90 HIS C 1.0 -79.4 -39.4 PHI 94 94 A 90 HIS N A 90 HIS CA A 90 HIS C A 91 ALA N 1.0 -61.7 -21.7 PSI 95 95 A 90 HIS C A 91 ALA N A 91 ALA CA A 91 ALA C 1.0 -84.0 -44.0 PHI 96 96 A 91 ALA N A 91 ALA CA A 91 ALA C A 92 ALA N 1.0 -65.6 -25.6 PSI 97 97 A 91 ALA C A 92 ALA N A 92 ALA CA A 92 ALA C 1.0 -89.5 -49.5 PHI 98 98 A 92 ALA N A 92 ALA CA A 92 ALA C A 93 LEU N 1.0 -47.4 -2.2 PSI 99 99 A 92 ALA C A 93 LEU N A 93 LEU CA A 93 LEU C 1.0 -137.6 -62.9 PHI 100 100 A 93 LEU N A 93 LEU CA A 93 LEU C A 94 ALA N 1.0 -43.2 45.8 PSI 101 101 A 93 LEU C A 94 ALA N A 94 ALA CA A 94 ALA C 1.0 -78.8 -38.8 PHI 102 102 A 94 ALA N A 94 ALA CA A 94 ALA C A 95 GLU N 1.0 -62.0 -22.0 PSI 103 103 A 94 ALA C A 95 GLU N A 95 GLU CA A 95 GLU C 1.0 -83.6 -43.6 PHI 104 104 A 95 GLU N A 95 GLU CA A 95 GLU C A 96 GLU N 1.0 -60.7 -20.7 PSI 105 105 A 95 GLU C A 96 GLU N A 96 GLU CA A 96 GLU C 1.0 -84.7 -44.7 PHI 106 106 A 96 GLU N A 96 GLU CA A 96 GLU C A 97 LEU N 1.0 -63.0 -23.0 PSI 107 107 A 96 GLU C A 97 LEU N A 97 LEU CA A 97 LEU C 1.0 -98.5 -51.1 PHI 108 108 A 97 LEU N A 97 LEU CA A 97 LEU C A 98 GLY N 1.0 -49.1 11.9 PSI 109 109 A 100 PRO C A 101 VAL N A 101 VAL CA A 101 VAL C 1.0 -151.3 -36.0 PHI 110 110 A 101 VAL N A 101 VAL CA A 101 VAL C A 102 HIS N 1.0 80.4 163.2 PSI 111 111 A 101 VAL C A 102 HIS N A 102 HIS CA A 102 HIS C 1.0 -120.2 -64.0 PHI 112 112 A 102 HIS N A 102 HIS CA A 102 HIS C A 103 ALA N 1.0 -56.6 -14.0 PSI 113 113 A 102 HIS C A 103 ALA N A 103 ALA CA A 103 ALA C 1.0 -175.3 -135.3 PHI 114 114 A 103 ALA N A 103 ALA CA A 103 ALA C A 104 LEU N 1.0 131.7 171.7 PSI 115 115 A 103 ALA C A 104 LEU N A 104 LEU CA A 104 LEU C 1.0 -168.6 -117.7 PHI 116 116 A 104 LEU N A 104 LEU CA A 104 LEU C A 105 ALA N 1.0 110.0 156.5 PSI 117 117 A 104 LEU C A 105 ALA N A 105 ALA CA A 105 ALA C 1.0 -134.5 -71.8 PHI 118 118 A 105 ALA N A 105 ALA CA A 105 ALA C A 106 ILE N 1.0 99.7 139.7 PSI 119 119 A 105 ALA C A 106 ILE N A 106 ILE CA A 106 ILE C 1.0 -145.5 -96.6 PHI 120 120 A 106 ILE N A 106 ILE CA A 106 ILE C A 107 GLN N 1.0 110.1 156.9 PSI 121 121 A 106 ILE C A 107 GLN N A 107 GLN CA A 107 GLN C 1.0 -142.3 -70.8 PHI 122 122 A 107 GLN N A 107 GLN CA A 107 GLN C A 108 ALA N 1.0 97.7 144.2 PSI 123 123 A 107 GLN C A 108 ALA N A 108 ALA CA A 108 ALA C 1.0 -138.7 -69.4 PHI 124 124 A 108 ALA N A 108 ALA CA A 108 ALA C A 109 ARG N 1.0 102.2 142.2 PSI 125 125 A 108 ALA C A 109 ARG N A 109 ARG CA A 109 ARG C 1.0 -166.8 -89.1 PHI 126 126 A 109 ARG N A 109 ARG CA A 109 ARG C A 110 THR N 1.0 131.1 185.0 PSI 127 127 A 109 ARG C A 110 THR N A 110 THR CA A 110 THR C 1.0 -147.4 -30.7 PHI 128 128 A 110 THR N A 110 THR CA A 110 THR C A 111 PRO N 1.0 114.9 179.3 PSI 129 129 A 111 PRO N A 111 PRO CA A 111 PRO C A 112 ALA N 1.0 -55.2 -15.2 PSI 130 130 A 111 PRO C A 112 ALA N A 112 ALA CA A 112 ALA C 1.0 -84.3 -44.3 PHI 131 131 A 112 ALA N A 112 ALA CA A 112 ALA C A 113 GLN N 1.0 -55.4 -15.4 PSI 132 132 A 112 ALA C A 113 GLN N A 113 GLN CA A 113 GLN C 1.0 -84.4 -44.4 PHI 133 133 A 113 GLN N A 113 GLN CA A 113 GLN C A 114 TRP N 1.0 -60.1 -20.1 PSI 134 134 A 113 GLN C A 114 TRP N A 114 TRP CA A 114 TRP C 1.0 -84.0 -44.0 PHI 135 135 A 114 TRP N A 114 TRP CA A 114 TRP C A 115 ARG N 1.0 -60.3 -11.6 PSI 136 136 A 114 TRP C A 115 ARG N A 115 ARG CA A 115 ARG C 1.0 -85.0 -45.0 PHI 137 137 A 115 ARG N A 115 ARG CA A 115 ARG C A 116 GLU N 1.0 -61.3 1.4 PSI 138 138 A 115 ARG C A 116 GLU N A 116 GLU CA A 116 GLU C 1.0 -87.9 -47.9 PHI 139 139 A 116 GLU N A 116 GLU CA A 116 GLU C A 117 ASN N 1.0 -59.3 -8.7 PSI 140 140 A 116 GLU C A 117 ASN N A 117 ASN CA A 117 ASN C 1.0 -138.2 -48.1 PHI 141 141 A 117 ASN N A 117 ASN CA A 117 ASN C A 118 SER N 1.0 -36.2 30.1 PSI stop_ save_