data_nef_c17693_2yka save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 40 MET start . . 2 A 41 ALA middle . . 3 A 42 SER middle . . 4 A 43 MET middle . . 5 A 44 THR middle . . 6 A 45 GLY middle . false 7 A 46 GLY middle . false 8 A 47 GLN middle . . 9 A 48 GLN middle . . 10 A 49 MET middle . . 11 A 50 GLY middle . false 12 A 51 ARG middle . . 13 A 52 ASP middle . . 14 A 53 PRO middle . false 15 A 54 ASP middle . . 16 A 55 LYS middle . . 17 A 56 TRP middle . . 18 A 57 GLN middle . . 19 A 58 HIS middle . . 20 A 59 ASP middle . . 21 A 60 LEU middle . . 22 A 61 PHE middle . . 23 A 62 ASP middle . . 24 A 63 SER middle . . 25 A 64 GLY middle . false 26 A 65 CYS middle . . 27 A 66 GLY middle . false 28 A 67 GLY middle . false 29 A 68 GLY middle . false 30 A 69 GLU middle . . 31 A 70 GLY middle . false 32 A 71 VAL middle . . 33 A 72 GLU middle . . 34 A 73 THR middle . . 35 A 74 GLY middle . false 36 A 75 ALA middle . . 37 A 76 LYS middle . . 38 A 77 LEU middle . . 39 A 78 LEU middle . . 40 A 79 VAL middle . . 41 A 80 SER middle . . 42 A 81 ASN middle . . 43 A 82 LEU middle . . 44 A 83 ASP middle . . 45 A 84 PHE middle . . 46 A 85 GLY middle . false 47 A 86 VAL middle . . 48 A 87 SER middle . . 49 A 88 ASP middle . . 50 A 89 ALA middle . . 51 A 90 ASP middle . . 52 A 91 ILE middle . . 53 A 92 GLN middle . . 54 A 93 GLU middle . . 55 A 94 LEU middle . . 56 A 95 PHE middle . . 57 A 96 ALA middle . . 58 A 97 GLU middle . . 59 A 98 PHE middle . . 60 A 99 GLY middle . false 61 A 100 THR middle . . 62 A 101 LEU middle . . 63 A 102 LYS middle . . 64 A 103 LYS middle . . 65 A 104 ALA middle . . 66 A 105 ALA middle . . 67 A 106 VAL middle . . 68 A 107 ASP middle . . 69 A 108 TYR middle . . 70 A 109 ASP middle . . 71 A 110 ARG middle . . 72 A 111 SER middle . . 73 A 112 GLY middle . false 74 A 113 ARG middle . . 75 A 114 SER middle . . 76 A 115 LEU middle . . 77 A 116 GLY middle . false 78 A 117 THR middle . . 79 A 118 ALA middle . . 80 A 119 ASP middle . . 81 A 120 VAL middle . . 82 A 121 HIS middle . . 83 A 122 PHE middle . . 84 A 123 GLU middle . . 85 A 124 ARG middle . . 86 A 125 ARG middle . . 87 A 126 ALA middle . . 88 A 127 ASP middle . . 89 A 128 ALA middle . . 90 A 129 LEU middle . . 91 A 130 LYS middle . . 92 A 131 ALA middle . . 93 A 132 MET middle . . 94 A 133 LYS middle . . 95 A 134 GLN middle . . 96 A 135 TYR middle . . 97 A 136 LYS middle . . 98 A 137 GLY middle . false 99 A 138 VAL middle . . 100 A 139 PRO middle . false 101 A 140 LEU middle . . 102 A 141 ASP middle . . 103 A 142 GLY middle . false 104 A 143 ARG middle . . 105 A 144 PRO middle . false 106 A 145 MET middle . . 107 A 146 ASP middle . . 108 A 147 ILE middle . . 109 A 148 GLN middle . . 110 A 149 LEU middle . . 111 A 150 VAL middle . . 112 A 151 ALA middle . . 113 A 152 SER middle . . 114 A 153 GLN middle . . 115 A 154 ILE middle . . 116 A 155 ASP middle . . 117 A 156 LEU middle . . 118 A 157 GLU middle . . 119 A 158 HIS middle . . 120 A 159 HIS middle . . 121 A 160 HIS middle . . 122 A 161 HIS middle . . 123 A 162 HIS middle . . 124 A 163 HIS end . . 125 B 98 GLY start . false 126 B 99 PRO middle . false 127 B 100 LEU middle . . 128 B 101 GLY middle . false 129 B 102 SER middle . . 130 B 103 SER middle . . 131 B 104 CYS middle . . 132 B 105 LYS middle . . 133 B 106 THR middle . . 134 B 107 SER middle . . 135 B 108 TRP middle . . 136 B 109 ALA middle . . 137 B 110 ASP middle . . 138 B 111 ARG middle . . 139 B 112 VAL middle . . 140 B 113 ARG middle . . 141 B 114 GLU middle . . 142 B 115 ALA middle . . 143 B 116 ALA middle . . 144 B 117 ALA middle . . 145 B 118 GLN middle . . 146 B 119 ARG middle . . 147 B 120 ARG end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 42 SER C C 13 174.403 0.10 A 43 MET H H 1 8.680 0.02 A 43 MET HE% H 1 2.124 0.02 A 43 MET C C 13 176.441 0.10 A 43 MET CE C 13 16.999 0.10 A 43 MET N N 15 122.790 0.10 A 44 THR H H 1 8.244 0.02 A 44 THR HA H 1 4.417 0.02 A 44 THR HB H 1 4.299 0.02 A 44 THR HG2% H 1 1.234 0.02 A 44 THR C C 13 175.096 0.10 A 44 THR CA C 13 61.825 0.10 A 44 THR CB C 13 69.816 0.10 A 44 THR CG2 C 13 21.630 0.10 A 44 THR N N 15 114.602 0.10 A 45 GLY H H 1 8.464 0.02 A 45 GLY HA2 H 1 4.033 0.02 A 45 GLY N N 15 111.228 0.10 A 46 GLY HA2 H 1 4.002 0.02 A 46 GLY C C 13 174.291 0.10 A 47 GLN H H 1 8.330 0.02 A 47 GLN HA H 1 4.354 0.02 A 47 GLN HBx H 1 2.019 0.02 A 47 GLN HBy H 1 2.125 0.02 A 47 GLN HE21 H 1 6.879 0.02 A 47 GLN HE22 H 1 7.546 0.02 A 47 GLN HG2 H 1 2.378 0.02 A 47 GLN C C 13 176.052 0.10 A 47 GLN CA C 13 56.109 0.10 A 47 GLN CB C 13 29.396 0.10 A 47 GLN CG C 13 33.622 0.10 A 47 GLN N N 15 119.737 0.10 A 47 GLN NE2 N 15 112.231 0.10 A 48 GLN H H 1 8.510 0.02 A 48 GLN HA H 1 4.342 0.02 A 48 GLN HE21 H 1 6.877 0.02 A 48 GLN HE22 H 1 7.518 0.02 A 48 GLN HG2 H 1 2.395 0.02 A 48 GLN C C 13 175.968 0.10 A 48 GLN N N 15 121.344 0.10 A 48 GLN NE2 N 15 112.319 0.10 A 49 MET H H 1 8.434 0.02 A 49 MET HA H 1 4.490 0.02 A 49 MET HBx H 1 2.041 0.02 A 49 MET HBy H 1 2.117 0.02 A 49 MET C C 13 176.653 0.10 A 49 MET CA C 13 55.724 0.10 A 49 MET N N 15 121.487 0.10 A 50 GLY H H 1 8.440 0.02 A 50 GLY HAx H 1 3.984 0.02 A 50 GLY HAy H 1 3.985 0.02 A 50 GLY C C 13 173.770 0.10 A 50 GLY N N 15 109.906 0.10 A 51 ARG H H 1 8.134 0.02 A 51 ARG HA H 1 4.388 0.02 A 51 ARG HBy H 1 1.838 0.02 A 51 ARG HBx H 1 1.746 0.02 A 51 ARG HDy H 1 3.145 0.02 A 51 ARG HDx H 1 3.125 0.02 A 51 ARG HGy H 1 1.605 0.02 A 51 ARG HGx H 1 1.599 0.02 A 51 ARG C C 13 175.670 0.10 A 51 ARG CA C 13 55.714 0.10 A 51 ARG CB C 13 31.244 0.10 A 51 ARG CG C 13 27.247 0.10 A 51 ARG N N 15 120.024 0.10 A 52 ASP H H 1 8.458 0.02 A 52 ASP HA H 1 4.888 0.02 A 52 ASP HBy H 1 2.795 0.02 A 52 ASP HBx H 1 2.594 0.02 A 52 ASP CA C 13 52.392 0.10 A 52 ASP CB C 13 41.155 0.10 A 52 ASP N N 15 123.010 0.10 A 53 PRO HA H 1 4.279 0.02 A 53 PRO HBy H 1 2.254 0.02 A 53 PRO HBx H 1 1.953 0.02 A 53 PRO HDx H 1 3.827 0.02 A 53 PRO HDy H 1 3.885 0.02 A 53 PRO HGy H 1 2.002 0.02 A 53 PRO HGx H 1 1.982 0.02 A 53 PRO C C 13 177.094 0.10 A 53 PRO CA C 13 63.810 0.10 A 53 PRO CB C 13 32.189 0.10 A 53 PRO CD C 13 50.845 0.10 A 53 PRO CG C 13 27.333 0.10 A 54 ASP H H 1 8.361 0.02 A 54 ASP HA H 1 4.596 0.02 A 54 ASP HBy H 1 2.652 0.02 A 54 ASP HBx H 1 2.649 0.02 A 54 ASP C C 13 176.744 0.10 A 54 ASP CA C 13 55.065 0.10 A 54 ASP CB C 13 41.130 0.10 A 54 ASP N N 15 118.764 0.10 A 55 LYS H H 1 7.906 0.02 A 55 LYS HA H 1 4.228 0.02 A 55 LYS HBy H 1 1.746 0.02 A 55 LYS HBx H 1 1.713 0.02 A 55 LYS HDx H 1 1.618 0.02 A 55 LYS HDy H 1 1.679 0.02 A 55 LYS HEy H 1 2.964 0.02 A 55 LYS HEx H 1 2.954 0.02 A 55 LYS HGy H 1 1.277 0.02 A 55 LYS HGx H 1 1.254 0.02 A 55 LYS C C 13 176.502 0.10 A 55 LYS CA C 13 56.645 0.10 A 55 LYS CB C 13 32.863 0.10 A 55 LYS CD C 13 28.981 0.10 A 55 LYS CE C 13 42.277 0.10 A 55 LYS CG C 13 24.558 0.10 A 55 LYS N N 15 120.220 0.10 A 56 TRP H H 1 7.949 0.02 A 56 TRP HA H 1 4.672 0.02 A 56 TRP HBx H 1 3.280 0.02 A 56 TRP HBy H 1 3.298 0.02 A 56 TRP HD1 H 1 7.283 0.02 A 56 TRP HE1 H 1 10.171 0.02 A 56 TRP HE3 H 1 7.614 0.02 A 56 TRP HH2 H 1 7.225 0.02 A 56 TRP HZ2 H 1 7.488 0.02 A 56 TRP HZ3 H 1 7.137 0.02 A 56 TRP C C 13 176.279 0.10 A 56 TRP CA C 13 57.323 0.10 A 56 TRP CB C 13 29.204 0.10 A 56 TRP CD1 C 13 126.938 0.10 A 56 TRP CE3 C 13 121.535 0.10 A 56 TRP CH2 C 13 124.659 0.10 A 56 TRP CZ2 C 13 114.980 0.10 A 56 TRP CZ3 C 13 120.735 0.10 A 56 TRP N N 15 120.338 0.10 A 56 TRP NE1 N 15 129.329 0.10 A 57 GLN H H 1 8.020 0.02 A 57 GLN HA H 1 4.165 0.02 A 57 GLN HBx H 1 1.842 0.02 A 57 GLN HBy H 1 1.968 0.02 A 57 GLN HE21 H 1 6.818 0.02 A 57 GLN HE22 H 1 7.437 0.02 A 57 GLN HGy H 1 2.111 0.02 A 57 GLN HGx H 1 2.108 0.02 A 57 GLN C C 13 175.783 0.10 A 57 GLN CA C 13 56.343 0.10 A 57 GLN CB C 13 28.931 0.10 A 57 GLN N N 15 120.811 0.10 A 57 GLN NE2 N 15 112.051 0.10 A 58 HIS H H 1 8.209 0.02 A 58 HIS HA H 1 4.559 0.02 A 58 HIS HBx H 1 3.153 0.02 A 58 HIS HBy H 1 3.204 0.02 A 58 HIS C C 13 174.485 0.10 A 58 HIS CA C 13 56.254 0.10 A 58 HIS N N 15 119.007 0.10 A 59 ASP H H 1 8.414 0.02 A 59 ASP HA H 1 4.574 0.02 A 59 ASP HBy H 1 2.667 0.02 A 59 ASP HBx H 1 2.661 0.02 A 59 ASP C C 13 176.167 0.10 A 59 ASP CA C 13 54.868 0.10 A 59 ASP CB C 13 41.224 0.10 A 59 ASP N N 15 120.625 0.10 A 60 LEU H H 1 8.069 0.02 A 60 LEU HA H 1 4.236 0.02 A 60 LEU HBy H 1 1.500 0.02 A 60 LEU HBx H 1 1.404 0.02 A 60 LEU HDx% H 1 0.846 0.02 A 60 LEU HDy% H 1 0.824 0.02 A 60 LEU HG H 1 1.507 0.02 A 60 LEU C C 13 177.236 0.10 A 60 LEU CA C 13 55.705 0.10 A 60 LEU CB C 13 42.266 0.10 A 60 LEU CD1 C 13 24.832 0.10 A 60 LEU CG C 13 26.681 0.10 A 60 LEU N N 15 121.498 0.10 A 61 PHE H H 1 8.123 0.02 A 61 PHE HA H 1 4.617 0.02 A 61 PHE HBy H 1 3.194 0.02 A 61 PHE HBx H 1 3.026 0.02 A 61 PHE HDx H 1 7.263 0.02 A 61 PHE HDy H 1 7.275 0.02 A 61 PHE HEx H 1 7.346 0.02 A 61 PHE HEy H 1 7.350 0.02 A 61 PHE C C 13 175.525 0.10 A 61 PHE CA C 13 57.817 0.10 A 61 PHE CB C 13 39.285 0.10 A 61 PHE CDx C 13 132.060 0.10 A 61 PHE CEx C 13 131.521 0.10 A 61 PHE N N 15 119.494 0.10 A 62 ASP H H 1 8.204 0.02 A 62 ASP HA H 1 4.662 0.02 A 62 ASP HBx H 1 2.678 0.02 A 62 ASP HBy H 1 2.743 0.02 A 62 ASP C C 13 176.276 0.10 A 62 ASP CA C 13 54.243 0.10 A 62 ASP CB C 13 41.562 0.10 A 62 ASP N N 15 121.761 0.10 A 63 SER H H 1 8.338 0.02 A 63 SER HA H 1 4.409 0.02 A 63 SER HBy H 1 4.014 0.02 A 63 SER HBx H 1 3.927 0.02 A 63 SER C C 13 175.365 0.10 A 63 SER CA C 13 58.977 0.10 A 63 SER CB C 13 63.820 0.10 A 63 SER N N 15 116.880 0.10 A 64 GLY H H 1 8.546 0.02 A 64 GLY HAx H 1 4.019 0.02 A 64 GLY HAy H 1 4.037 0.02 A 64 GLY C C 13 174.442 0.10 A 64 GLY CA C 13 45.576 0.10 A 64 GLY N N 15 110.607 0.10 A 65 CYS H H 1 8.215 0.02 A 65 CYS HA H 1 4.585 0.02 A 65 CYS HBx H 1 2.977 0.02 A 65 CYS HBy H 1 2.978 0.02 A 65 CYS C C 13 175.151 0.10 A 65 CYS CA C 13 58.607 0.10 A 65 CYS CB C 13 28.131 0.10 A 65 CYS N N 15 118.164 0.10 A 66 GLY H H 1 8.581 0.02 A 66 GLY HA2 H 1 4.017 0.02 A 66 GLY HA3 H 1 4.017 0.02 A 66 GLY C C 13 174.648 0.10 A 66 GLY N N 15 111.111 0.10 A 67 GLY H H 1 8.359 0.02 A 67 GLY HA2 H 1 4.018 0.02 A 67 GLY HA3 H 1 4.018 0.02 A 67 GLY C C 13 174.695 0.10 A 67 GLY CA C 13 45.308 0.10 A 67 GLY N N 15 108.858 0.10 A 68 GLY H H 1 8.347 0.02 A 68 GLY HAy H 1 4.011 0.02 A 68 GLY HAx H 1 4.003 0.02 A 68 GLY C C 13 174.248 0.10 A 68 GLY N N 15 108.684 0.10 A 69 GLU H H 1 8.488 0.02 A 69 GLU HA H 1 4.336 0.02 A 69 GLU HBx H 1 1.997 0.02 A 69 GLU HBy H 1 2.122 0.02 A 69 GLU HGx H 1 2.311 0.02 A 69 GLU HGy H 1 2.312 0.02 A 69 GLU C C 13 177.102 0.10 A 69 GLU CA C 13 56.828 0.10 A 69 GLU CB C 13 30.128 0.10 A 69 GLU CG C 13 36.174 0.10 A 69 GLU N N 15 120.451 0.10 A 70 GLY H H 1 8.523 0.02 A 70 GLY HA2 H 1 4.003 0.02 A 70 GLY HA3 H 1 4.003 0.02 A 70 GLY C C 13 173.979 0.10 A 70 GLY N N 15 109.875 0.10 A 71 VAL H H 1 7.895 0.02 A 71 VAL HA H 1 4.201 0.02 A 71 VAL HB H 1 2.110 0.02 A 71 VAL HGx% H 1 0.931 0.02 A 71 VAL HGy% H 1 0.947 0.02 A 71 VAL C C 13 175.965 0.10 A 71 VAL CA C 13 61.921 0.10 A 71 VAL CB C 13 32.987 0.10 A 71 VAL CG1 C 13 20.530 0.10 A 71 VAL CG2 C 13 21.239 0.10 A 71 VAL N N 15 118.622 0.10 A 72 GLU H H 1 8.578 0.02 A 72 GLU HA H 1 4.490 0.02 A 72 GLU HBx H 1 2.116 0.02 A 72 GLU HBy H 1 2.171 0.02 A 72 GLU HGy H 1 2.384 0.02 A 72 GLU HGx H 1 2.381 0.02 A 72 GLU C C 13 176.505 0.10 A 72 GLU CA C 13 56.416 0.10 A 72 GLU CB C 13 30.194 0.10 A 72 GLU CG C 13 36.687 0.10 A 72 GLU N N 15 124.954 0.10 A 73 THR H H 1 8.298 0.02 A 73 THR HA H 1 4.521 0.02 A 73 THR HB H 1 4.440 0.02 A 73 THR HG2% H 1 1.287 0.02 A 73 THR C C 13 175.571 0.10 A 73 THR CA C 13 61.711 0.10 A 73 THR CB C 13 70.229 0.10 A 73 THR CG2 C 13 21.453 0.10 A 73 THR N N 15 115.551 0.10 A 74 GLY H H 1 8.888 0.02 A 74 GLY HAx H 1 3.864 0.02 A 74 GLY HAy H 1 4.231 0.02 A 74 GLY C C 13 173.189 0.10 A 74 GLY CA C 13 45.648 0.10 A 74 GLY N N 15 112.166 0.10 A 75 ALA H H 1 8.092 0.02 A 75 ALA HA H 1 4.607 0.02 A 75 ALA HB% H 1 1.263 0.02 A 75 ALA C C 13 174.301 0.10 A 75 ALA CA C 13 51.826 0.10 A 75 ALA CB C 13 22.839 0.10 A 75 ALA N N 15 118.510 0.10 A 76 LYS H H 1 8.617 0.02 A 76 LYS HA H 1 4.980 0.02 A 76 LYS HBx H 1 1.368 0.02 A 76 LYS HBy H 1 1.542 0.02 A 76 LYS HDy H 1 1.378 0.02 A 76 LYS HDx H 1 1.374 0.02 A 76 LYS HEy H 1 2.667 0.02 A 76 LYS HEx H 1 2.666 0.02 A 76 LYS HGy H 1 0.962 0.02 A 76 LYS HGx H 1 0.616 0.02 A 76 LYS C C 13 174.201 0.10 A 76 LYS CA C 13 55.435 0.10 A 76 LYS CB C 13 34.800 0.10 A 76 LYS CD C 13 29.616 0.10 A 76 LYS CE C 13 41.726 0.10 A 76 LYS CG C 13 24.540 0.10 A 76 LYS N N 15 121.580 0.10 A 77 LEU H H 1 9.381 0.02 A 77 LEU HA H 1 5.325 0.02 A 77 LEU HBy H 1 1.728 0.02 A 77 LEU HBx H 1 1.103 0.02 A 77 LEU HDx% H 1 0.788 0.02 A 77 LEU HDy% H 1 0.818 0.02 A 77 LEU HG H 1 0.885 0.02 A 77 LEU C C 13 176.013 0.10 A 77 LEU CA C 13 52.561 0.10 A 77 LEU CB C 13 43.883 0.10 A 77 LEU CD1 C 13 22.971 0.10 A 77 LEU CD2 C 13 26.085 0.10 A 77 LEU N N 15 120.966 0.10 A 78 LEU H H 1 9.102 0.02 A 78 LEU HA H 1 5.072 0.02 A 78 LEU HBx H 1 1.460 0.02 A 78 LEU HBy H 1 1.668 0.02 A 78 LEU HDx% H 1 0.851 0.02 A 78 LEU HDy% H 1 0.891 0.02 A 78 LEU HG H 1 1.468 0.02 A 78 LEU C C 13 176.523 0.10 A 78 LEU CA C 13 53.917 0.10 A 78 LEU CB C 13 43.329 0.10 A 78 LEU CD1 C 13 24.148 0.10 A 78 LEU CD2 C 13 24.369 0.10 A 78 LEU CG C 13 27.682 0.10 A 78 LEU N N 15 124.094 0.10 A 79 VAL H H 1 9.123 0.02 A 79 VAL HA H 1 5.050 0.02 A 79 VAL HB H 1 1.973 0.02 A 79 VAL HGx% H 1 1.216 0.02 A 79 VAL HGy% H 1 0.867 0.02 A 79 VAL C C 13 174.830 0.10 A 79 VAL CA C 13 60.772 0.10 A 79 VAL CB C 13 33.581 0.10 A 79 VAL CG1 C 13 22.486 0.10 A 79 VAL CG2 C 13 21.463 0.10 A 79 VAL N N 15 130.557 0.10 A 80 SER H H 1 9.367 0.02 A 80 SER HA H 1 5.346 0.02 A 80 SER HBx H 1 3.787 0.02 A 80 SER HBy H 1 3.963 0.02 A 80 SER C C 13 172.832 0.10 A 80 SER CA C 13 57.407 0.10 A 80 SER CB C 13 66.129 0.10 A 80 SER N N 15 120.328 0.10 A 81 ASN H H 1 8.554 0.02 A 81 ASN HA H 1 4.493 0.02 A 81 ASN HBx H 1 2.828 0.02 A 81 ASN HBy H 1 3.658 0.02 A 81 ASN HD21 H 1 7.129 0.02 A 81 ASN HD22 H 1 7.902 0.02 A 81 ASN C C 13 175.543 0.10 A 81 ASN CA C 13 53.499 0.10 A 81 ASN CB C 13 38.053 0.10 A 81 ASN N N 15 116.325 0.10 A 81 ASN ND2 N 15 110.857 0.10 A 82 LEU H H 1 8.251 0.02 A 82 LEU HA H 1 4.226 0.02 A 82 LEU HBx H 1 1.095 0.02 A 82 LEU HBy H 1 1.204 0.02 A 82 LEU HDx% H 1 0.909 0.02 A 82 LEU HDy% H 1 0.441 0.02 A 82 LEU HG H 1 1.325 0.02 A 82 LEU CA C 13 53.984 0.10 A 82 LEU CB C 13 43.659 0.10 A 82 LEU CD1 C 13 23.364 0.10 A 82 LEU CD2 C 13 25.778 0.10 A 82 LEU CG C 13 26.655 0.10 A 82 LEU N N 15 116.837 0.10 A 83 ASP H H 1 8.214 0.02 A 83 ASP HA H 1 4.246 0.02 A 83 ASP HBx H 1 2.567 0.02 A 83 ASP HBy H 1 2.772 0.02 A 83 ASP C C 13 177.477 0.10 A 83 ASP CA C 13 54.905 0.10 A 83 ASP CB C 13 43.017 0.10 A 83 ASP N N 15 120.050 0.10 A 84 PHE H H 1 8.185 0.02 A 84 PHE HA H 1 4.315 0.02 A 84 PHE HBx H 1 3.044 0.02 A 84 PHE HBy H 1 3.399 0.02 A 84 PHE HDx H 1 7.257 0.02 A 84 PHE HDy H 1 7.258 0.02 A 84 PHE HEy H 1 7.326 0.02 A 84 PHE HEx H 1 7.292 0.02 A 84 PHE HZ H 1 7.361 0.02 A 84 PHE C C 13 175.569 0.10 A 84 PHE CA C 13 59.605 0.10 A 84 PHE CB C 13 38.196 0.10 A 84 PHE CDx C 13 131.252 0.10 A 84 PHE CZ C 13 129.913 0.10 A 84 PHE N N 15 123.195 0.10 A 85 GLY H H 1 8.857 0.02 A 85 GLY HAx H 1 3.671 0.02 A 85 GLY HAy H 1 4.186 0.02 A 85 GLY C C 13 174.475 0.10 A 85 GLY CA C 13 44.846 0.10 A 85 GLY N N 15 107.369 0.10 A 86 VAL H H 1 6.994 0.02 A 86 VAL HA H 1 3.512 0.02 A 86 VAL HB H 1 1.575 0.02 A 86 VAL HGx% H 1 0.046 0.02 A 86 VAL HGy% H 1 -0.044 0.02 A 86 VAL C C 13 175.779 0.10 A 86 VAL CA C 13 63.586 0.10 A 86 VAL CB C 13 30.783 0.10 A 86 VAL CG1 C 13 21.939 0.10 A 86 VAL CG2 C 13 20.708 0.10 A 86 VAL N N 15 122.376 0.10 A 87 SER H H 1 9.490 0.02 A 87 SER HA H 1 4.931 0.02 A 87 SER HBx H 1 3.979 0.02 A 87 SER HBy H 1 4.384 0.02 A 87 SER C C 13 175.184 0.10 A 87 SER CA C 13 56.585 0.10 A 87 SER CB C 13 67.818 0.10 A 87 SER N N 15 126.189 0.10 A 88 ASP H H 1 8.714 0.02 A 88 ASP HA H 1 4.127 0.02 A 88 ASP HBx H 1 2.806 0.02 A 88 ASP HBy H 1 2.985 0.02 A 88 ASP C C 13 177.747 0.10 A 88 ASP CA C 13 58.243 0.10 A 88 ASP CB C 13 40.068 0.10 A 88 ASP N N 15 120.694 0.10 A 89 ALA H H 1 8.158 0.02 A 89 ALA HA H 1 4.115 0.02 A 89 ALA HB% H 1 1.467 0.02 A 89 ALA C C 13 180.447 0.10 A 89 ALA CA C 13 55.087 0.10 A 89 ALA CB C 13 18.298 0.10 A 89 ALA N N 15 119.502 0.10 A 90 ASP H H 1 7.473 0.02 A 90 ASP HA H 1 4.719 0.02 A 90 ASP HBx H 1 2.963 0.02 A 90 ASP HBy H 1 2.969 0.02 A 90 ASP C C 13 177.080 0.10 A 90 ASP CA C 13 57.684 0.10 A 90 ASP CB C 13 41.985 0.10 A 90 ASP N N 15 118.999 0.10 A 91 ILE H H 1 7.384 0.02 A 91 ILE HA H 1 4.047 0.02 A 91 ILE HB H 1 2.135 0.02 A 91 ILE HD1% H 1 0.590 0.02 A 91 ILE HG1y H 1 1.499 0.02 A 91 ILE HG1x H 1 1.050 0.02 A 91 ILE HG2% H 1 0.843 0.02 A 91 ILE C C 13 178.431 0.10 A 91 ILE CA C 13 61.888 0.10 A 91 ILE CB C 13 36.199 0.10 A 91 ILE CD1 C 13 10.451 0.10 A 91 ILE CG1 C 13 26.660 0.10 A 91 ILE CG2 C 13 18.920 0.10 A 91 ILE N N 15 116.778 0.10 A 92 GLN H H 1 8.508 0.02 A 92 GLN HA H 1 3.747 0.02 A 92 GLN HBx H 1 2.198 0.02 A 92 GLN HBy H 1 2.247 0.02 A 92 GLN HE21 H 1 7.501 0.02 A 92 GLN HE22 H 1 6.869 0.02 A 92 GLN HGy H 1 2.473 0.02 A 92 GLN HGx H 1 2.470 0.02 A 92 GLN C C 13 177.073 0.10 A 92 GLN CA C 13 59.738 0.10 A 92 GLN CB C 13 27.884 0.10 A 92 GLN CG C 13 34.143 0.10 A 92 GLN N N 15 120.321 0.10 A 92 GLN NE2 N 15 109.995 0.10 A 93 GLU H H 1 8.114 0.02 A 93 GLU HA H 1 4.020 0.02 A 93 GLU HBx H 1 2.224 0.02 A 93 GLU HBy H 1 2.379 0.02 A 93 GLU HGy H 1 2.462 0.02 A 93 GLU HGx H 1 2.287 0.02 A 93 GLU C C 13 178.992 0.10 A 93 GLU CA C 13 58.988 0.10 A 93 GLU CB C 13 29.190 0.10 A 93 GLU CG C 13 36.482 0.10 A 93 GLU N N 15 117.266 0.10 A 94 LEU H H 1 7.887 0.02 A 94 LEU HA H 1 4.094 0.02 A 94 LEU HBx H 1 1.507 0.02 A 94 LEU HBy H 1 1.731 0.02 A 94 LEU HDx% H 1 0.364 0.02 A 94 LEU HDy% H 1 -0.051 0.02 A 94 LEU HG H 1 0.615 0.02 A 94 LEU C C 13 178.857 0.10 A 94 LEU CA C 13 57.563 0.10 A 94 LEU CB C 13 43.233 0.10 A 94 LEU CD1 C 13 23.502 0.10 A 94 LEU CD2 C 13 25.912 0.10 A 94 LEU CG C 13 26.649 0.10 A 94 LEU N N 15 117.388 0.10 A 95 PHE H H 1 8.219 0.02 A 95 PHE HA H 1 4.876 0.02 A 95 PHE HBy H 1 3.488 0.02 A 95 PHE HBx H 1 2.921 0.02 A 95 PHE HDx H 1 7.807 0.02 A 95 PHE HDy H 1 7.807 0.02 A 95 PHE HEx H 1 7.232 0.02 A 95 PHE HEy H 1 7.237 0.02 A 95 PHE HZ H 1 7.225 0.02 A 95 PHE C C 13 177.044 0.10 A 95 PHE CA C 13 62.096 0.10 A 95 PHE CB C 13 39.689 0.10 A 95 PHE CDy C 13 132.728 0.10 A 95 PHE CDx C 13 132.688 0.10 A 95 PHE CEy C 13 130.672 0.10 A 95 PHE CEx C 13 130.664 0.10 A 95 PHE CZ C 13 129.692 0.10 A 95 PHE N N 15 112.254 0.10 A 96 ALA H H 1 8.677 0.02 A 96 ALA HA H 1 4.541 0.02 A 96 ALA HB% H 1 1.619 0.02 A 96 ALA C C 13 179.037 0.10 A 96 ALA CA C 13 54.940 0.10 A 96 ALA CB C 13 18.050 0.10 A 96 ALA N N 15 121.699 0.10 A 97 GLU H H 1 7.311 0.02 A 97 GLU HA H 1 4.058 0.02 A 97 GLU HBx H 1 1.738 0.02 A 97 GLU HBy H 1 1.936 0.02 A 97 GLU HGx H 1 1.573 0.02 A 97 GLU HGy H 1 1.837 0.02 A 97 GLU C C 13 177.053 0.10 A 97 GLU CA C 13 57.867 0.10 A 97 GLU CB C 13 29.695 0.10 A 97 GLU CG C 13 35.236 0.10 A 97 GLU N N 15 113.840 0.10 A 98 PHE H H 1 7.863 0.02 A 98 PHE HA H 1 4.337 0.02 A 98 PHE HBx H 1 3.254 0.02 A 98 PHE HBy H 1 3.441 0.02 A 98 PHE HDx H 1 7.631 0.02 A 98 PHE HDy H 1 7.631 0.02 A 98 PHE HEy H 1 7.449 0.02 A 98 PHE HEx H 1 7.441 0.02 A 98 PHE HZ H 1 7.061 0.02 A 98 PHE C C 13 174.798 0.10 A 98 PHE CA C 13 59.981 0.10 A 98 PHE CB C 13 40.102 0.10 A 98 PHE CDx C 13 131.879 0.10 A 98 PHE CDy C 13 131.879 0.10 A 98 PHE CEx C 13 131.832 0.10 A 98 PHE CEy C 13 131.879 0.10 A 98 PHE CZ C 13 129.666 0.10 A 98 PHE N N 15 115.655 0.10 A 99 GLY H H 1 7.535 0.02 A 99 GLY HAx H 1 3.944 0.02 A 99 GLY HAy H 1 4.894 0.02 A 99 GLY C C 13 184.935 0.10 A 99 GLY CA C 13 44.834 0.10 A 99 GLY N N 15 105.065 0.10 A 100 THR H H 1 8.227 0.02 A 100 THR HA H 1 4.119 0.02 A 100 THR HB H 1 4.074 0.02 A 100 THR HG2% H 1 1.243 0.02 A 100 THR C C 13 175.067 0.10 A 100 THR CA C 13 64.366 0.10 A 100 THR CB C 13 69.397 0.10 A 100 THR CG2 C 13 22.616 0.10 A 100 THR N N 15 112.834 0.10 A 101 LEU H H 1 8.960 0.02 A 101 LEU HA H 1 4.573 0.02 A 101 LEU HBx H 1 1.024 0.02 A 101 LEU HBy H 1 1.742 0.02 A 101 LEU HDx% H 1 0.788 0.02 A 101 LEU HDy% H 1 -0.074 0.02 A 101 LEU HG H 1 1.691 0.02 A 101 LEU C C 13 177.275 0.10 A 101 LEU CA C 13 53.649 0.10 A 101 LEU CB C 13 43.115 0.10 A 101 LEU CD1 C 13 26.100 0.10 A 101 LEU CD2 C 13 23.196 0.10 A 101 LEU CG C 13 26.395 0.10 A 101 LEU N N 15 127.972 0.10 A 102 LYS H H 1 8.907 0.02 A 102 LYS HA H 1 4.316 0.02 A 102 LYS HBy H 1 1.712 0.02 A 102 LYS HBx H 1 1.287 0.02 A 102 LYS HDy H 1 1.463 0.02 A 102 LYS HDx H 1 1.456 0.02 A 102 LYS HEx H 1 2.883 0.02 A 102 LYS HEy H 1 2.947 0.02 A 102 LYS HG2 H 1 1.263 0.02 A 102 LYS HG3 H 1 1.263 0.02 A 102 LYS C C 13 176.342 0.10 A 102 LYS CA C 13 56.521 0.10 A 102 LYS CB C 13 33.148 0.10 A 102 LYS CD C 13 28.177 0.10 A 102 LYS CE C 13 41.479 0.10 A 102 LYS CG C 13 24.541 0.10 A 102 LYS N N 15 121.827 0.10 A 103 LYS H H 1 7.454 0.02 A 103 LYS HA H 1 4.264 0.02 A 103 LYS HBy H 1 1.758 0.02 A 103 LYS HBx H 1 1.297 0.02 A 103 LYS HDy H 1 1.447 0.02 A 103 LYS HDx H 1 1.304 0.02 A 103 LYS HEx H 1 2.832 0.02 A 103 LYS HEy H 1 2.884 0.02 A 103 LYS HGx H 1 1.154 0.02 A 103 LYS HGy H 1 1.318 0.02 A 103 LYS C C 13 173.940 0.10 A 103 LYS CA C 13 56.568 0.10 A 103 LYS CB C 13 35.491 0.10 A 103 LYS CD C 13 28.967 0.10 A 103 LYS CE C 13 42.261 0.10 A 103 LYS CG C 13 24.895 0.10 A 103 LYS N N 15 117.334 0.10 A 104 ALA H H 1 8.744 0.02 A 104 ALA HA H 1 4.952 0.02 A 104 ALA HB% H 1 1.311 0.02 A 104 ALA C C 13 173.714 0.10 A 104 ALA CA C 13 52.128 0.10 A 104 ALA CB C 13 20.154 0.10 A 104 ALA N N 15 128.613 0.10 A 105 ALA H H 1 8.253 0.02 A 105 ALA HA H 1 4.833 0.02 A 105 ALA HB% H 1 1.390 0.02 A 105 ALA C C 13 176.257 0.10 A 105 ALA CA C 13 51.245 0.10 A 105 ALA CB C 13 22.558 0.10 A 105 ALA N N 15 123.917 0.10 A 106 VAL H H 1 9.161 0.02 A 106 VAL HA H 1 3.983 0.02 A 106 VAL HB H 1 1.921 0.02 A 106 VAL HGx% H 1 0.465 0.02 A 106 VAL HGy% H 1 0.682 0.02 A 106 VAL C C 13 175.000 0.10 A 106 VAL CA C 13 62.462 0.10 A 106 VAL CB C 13 33.140 0.10 A 106 VAL CG1 C 13 20.465 0.10 A 106 VAL CG2 C 13 22.872 0.10 A 106 VAL N N 15 127.396 0.10 A 107 ASP H H 1 8.423 0.02 A 107 ASP HA H 1 4.734 0.02 A 107 ASP HBy H 1 2.480 0.02 A 107 ASP HBx H 1 2.442 0.02 A 107 ASP C C 13 173.206 0.10 A 107 ASP CA C 13 54.196 0.10 A 107 ASP CB C 13 41.733 0.10 A 107 ASP N N 15 125.184 0.10 A 108 TYR H H 1 8.432 0.02 A 108 TYR HA H 1 5.075 0.02 A 108 TYR HBx H 1 2.799 0.02 A 108 TYR HBy H 1 2.840 0.02 A 108 TYR HDx H 1 6.930 0.02 A 108 TYR HDy H 1 6.940 0.02 A 108 TYR HEy H 1 6.930 0.02 A 108 TYR HEx H 1 6.923 0.02 A 108 TYR C C 13 176.749 0.10 A 108 TYR CA C 13 57.114 0.10 A 108 TYR CB C 13 42.261 0.10 A 108 TYR CDx C 13 132.767 0.10 A 108 TYR CDy C 13 132.864 0.10 A 108 TYR CEy C 13 117.928 0.10 A 108 TYR CEx C 13 117.875 0.10 A 108 TYR N N 15 120.347 0.10 A 109 ASP H H 1 9.048 0.02 A 109 ASP HA H 1 4.762 0.02 A 109 ASP HBx H 1 2.758 0.02 A 109 ASP HBy H 1 3.457 0.02 A 109 ASP C C 13 178.363 0.10 A 109 ASP CA C 13 52.370 0.10 A 109 ASP CB C 13 41.144 0.10 A 109 ASP N N 15 121.175 0.10 A 110 ARG H H 1 8.510 0.02 A 110 ARG HA H 1 4.194 0.02 A 110 ARG HBx H 1 1.964 0.02 A 110 ARG HBy H 1 1.978 0.02 A 110 ARG HDx H 1 3.271 0.02 A 110 ARG HDy H 1 3.285 0.02 A 110 ARG HG2 H 1 1.784 0.02 A 110 ARG HG3 H 1 1.784 0.02 A 110 ARG C C 13 177.329 0.10 A 110 ARG CA C 13 58.519 0.10 A 110 ARG CB C 13 29.540 0.10 A 110 ARG CD C 13 43.361 0.10 A 110 ARG CG C 13 27.376 0.10 A 110 ARG N N 15 117.739 0.10 A 111 SER H H 1 8.445 0.02 A 111 SER HA H 1 4.622 0.02 A 111 SER HB2 H 1 4.009 0.02 A 111 SER HB3 H 1 4.009 0.02 A 111 SER C C 13 174.500 0.10 A 111 SER CA C 13 58.475 0.10 A 111 SER CB C 13 64.097 0.10 A 111 SER N N 15 115.526 0.10 A 112 GLY H H 1 8.254 0.02 A 112 GLY HAy H 1 4.223 0.02 A 112 GLY HAx H 1 3.618 0.02 A 112 GLY C C 13 173.643 0.10 A 112 GLY CA C 13 45.434 0.10 A 112 GLY N N 15 109.787 0.10 A 113 ARG H H 1 8.291 0.02 A 113 ARG HA H 1 4.515 0.02 A 113 ARG HBx H 1 1.848 0.02 A 113 ARG HBy H 1 1.873 0.02 A 113 ARG HDx H 1 3.155 0.02 A 113 ARG HDy H 1 3.159 0.02 A 113 ARG HE H 1 7.347 0.02 A 113 ARG HG2 H 1 1.629 0.02 A 113 ARG HG3 H 1 1.629 0.02 A 113 ARG C C 13 176.262 0.10 A 113 ARG CA C 13 55.308 0.10 A 113 ARG CB C 13 30.550 0.10 A 113 ARG CD C 13 43.345 0.10 A 113 ARG CG C 13 27.497 0.10 A 113 ARG N N 15 122.140 0.10 A 113 ARG NE N 15 85.400 0.10 A 114 SER H H 1 8.809 0.02 A 114 SER HA H 1 4.097 0.02 A 114 SER HBx H 1 3.884 0.02 A 114 SER HBy H 1 4.062 0.02 A 114 SER C C 13 175.943 0.10 A 114 SER CA C 13 58.221 0.10 A 114 SER CB C 13 64.001 0.10 A 114 SER N N 15 118.398 0.10 A 115 LEU H H 1 8.722 0.02 A 115 LEU HA H 1 4.454 0.02 A 115 LEU HBy H 1 1.653 0.02 A 115 LEU HBx H 1 1.559 0.02 A 115 LEU HDx% H 1 0.741 0.02 A 115 LEU HDy% H 1 0.964 0.02 A 115 LEU HG H 1 1.527 0.02 A 115 LEU C C 13 178.888 0.10 A 115 LEU CA C 13 54.988 0.10 A 115 LEU CB C 13 42.279 0.10 A 115 LEU CD1 C 13 25.555 0.10 A 115 LEU CD2 C 13 23.386 0.10 A 115 LEU CG C 13 27.519 0.10 A 115 LEU N N 15 125.225 0.10 A 116 GLY H H 1 9.657 0.02 A 116 GLY HAx H 1 3.416 0.02 A 116 GLY HAy H 1 4.051 0.02 A 116 GLY C C 13 172.086 0.10 A 116 GLY CA C 13 46.016 0.10 A 116 GLY N N 15 109.777 0.10 A 117 THR H H 1 7.054 0.02 A 117 THR HA H 1 5.376 0.02 A 117 THR HB H 1 4.361 0.02 A 117 THR HG2% H 1 1.112 0.02 A 117 THR C C 13 172.503 0.10 A 117 THR CA C 13 58.361 0.10 A 117 THR CB C 13 72.478 0.10 A 117 THR CG2 C 13 21.266 0.10 A 117 THR N N 15 106.376 0.10 A 118 ALA H H 1 9.174 0.02 A 118 ALA HA H 1 4.852 0.02 A 118 ALA HB% H 1 0.950 0.02 A 118 ALA C C 13 174.444 0.10 A 118 ALA CA C 13 50.884 0.10 A 118 ALA CB C 13 23.441 0.10 A 118 ALA N N 15 119.536 0.10 A 119 ASP H H 1 8.366 0.02 A 119 ASP HA H 1 5.173 0.02 A 119 ASP HBx H 1 2.619 0.02 A 119 ASP HBy H 1 2.655 0.02 A 119 ASP C C 13 175.109 0.10 A 119 ASP CA C 13 52.820 0.10 A 119 ASP CB C 13 43.288 0.10 A 119 ASP N N 15 121.260 0.10 A 120 VAL H H 1 8.387 0.02 A 120 VAL HA H 1 4.425 0.02 A 120 VAL HB H 1 1.682 0.02 A 120 VAL HGx% H 1 0.378 0.02 A 120 VAL HGy% H 1 0.341 0.02 A 120 VAL C C 13 173.939 0.10 A 120 VAL CA C 13 61.081 0.10 A 120 VAL CB C 13 33.858 0.10 A 120 VAL CG1 C 13 21.062 0.10 A 120 VAL CG2 C 13 22.676 0.10 A 120 VAL N N 15 122.980 0.10 A 121 HIS H H 1 9.271 0.02 A 121 HIS HA H 1 5.501 0.02 A 121 HIS HBy H 1 3.197 0.02 A 121 HIS HBx H 1 2.957 0.02 A 121 HIS HD2 H 1 6.933 0.02 A 121 HIS C C 13 174.910 0.10 A 121 HIS CA C 13 53.326 0.10 A 121 HIS CB C 13 33.608 0.10 A 121 HIS CD2 C 13 116.893 0.10 A 121 HIS N N 15 127.248 0.10 A 122 PHE H H 1 9.310 0.02 A 122 PHE HA H 1 4.853 0.02 A 122 PHE HBy H 1 3.736 0.02 A 122 PHE HBx H 1 2.733 0.02 A 122 PHE HDy H 1 7.285 0.02 A 122 PHE HDx H 1 7.268 0.02 A 122 PHE HEx H 1 7.151 0.02 A 122 PHE HEy H 1 7.179 0.02 A 122 PHE HZ H 1 7.463 0.02 A 122 PHE C C 13 175.563 0.10 A 122 PHE CA C 13 58.238 0.10 A 122 PHE CB C 13 41.253 0.10 A 122 PHE CDx C 13 129.903 0.10 A 122 PHE CZ C 13 129.365 0.10 A 122 PHE N N 15 125.565 0.10 A 123 GLU H H 1 8.211 0.02 A 123 GLU HA H 1 4.091 0.02 A 123 GLU HBx H 1 1.981 0.02 A 123 GLU HBy H 1 2.241 0.02 A 123 GLU HGx H 1 2.183 0.02 A 123 GLU HGy H 1 2.278 0.02 A 123 GLU C C 13 176.391 0.10 A 123 GLU CA C 13 59.385 0.10 A 123 GLU CB C 13 30.390 0.10 A 123 GLU CG C 13 36.904 0.10 A 123 GLU N N 15 120.966 0.10 A 124 ARG H H 1 9.397 0.02 A 124 ARG HA H 1 4.881 0.02 A 124 ARG HB2 H 1 1.971 0.02 A 124 ARG HB3 H 1 1.971 0.02 A 124 ARG HDx H 1 3.349 0.02 A 124 ARG HDy H 1 3.406 0.02 A 124 ARG HE H 1 7.646 0.02 A 124 ARG HGx H 1 1.673 0.02 A 124 ARG HGy H 1 1.845 0.02 A 124 ARG HH11 H 1 6.931 0.02 A 124 ARG C C 13 176.856 0.10 A 124 ARG CA C 13 54.191 0.10 A 124 ARG CB C 13 31.723 0.10 A 124 ARG CD C 13 43.610 0.10 A 124 ARG CG C 13 27.098 0.10 A 124 ARG N N 15 115.287 0.10 A 124 ARG NE N 15 84.704 0.10 A 125 ARG H H 1 9.358 0.02 A 125 ARG HA H 1 3.719 0.02 A 125 ARG HBx H 1 1.828 0.02 A 125 ARG HBy H 1 1.833 0.02 A 125 ARG HDy H 1 3.228 0.02 A 125 ARG HDx H 1 3.147 0.02 A 125 ARG HE H 1 7.409 0.02 A 125 ARG HGx H 1 1.488 0.02 A 125 ARG HGy H 1 1.788 0.02 A 125 ARG C C 13 177.253 0.10 A 125 ARG CA C 13 59.798 0.10 A 125 ARG CB C 13 29.684 0.10 A 125 ARG CD C 13 42.317 0.10 A 125 ARG CG C 13 27.954 0.10 A 125 ARG N N 15 127.396 0.10 A 125 ARG NE N 15 84.448 0.10 A 126 ALA H H 1 9.168 0.02 A 126 ALA HA H 1 3.959 0.02 A 126 ALA HB% H 1 1.433 0.02 A 126 ALA C C 13 179.946 0.10 A 126 ALA CA C 13 55.260 0.10 A 126 ALA CB C 13 18.508 0.10 A 126 ALA N N 15 118.374 0.10 A 127 ASP H H 1 6.767 0.02 A 127 ASP HA H 1 4.355 0.02 A 127 ASP HBx H 1 2.656 0.02 A 127 ASP HBy H 1 2.896 0.02 A 127 ASP C C 13 176.273 0.10 A 127 ASP CA C 13 56.772 0.10 A 127 ASP CB C 13 41.684 0.10 A 127 ASP N N 15 117.864 0.10 A 128 ALA H H 1 6.692 0.02 A 128 ALA HA H 1 2.833 0.02 A 128 ALA HB% H 1 1.167 0.02 A 128 ALA C C 13 179.084 0.10 A 128 ALA CA C 13 54.054 0.10 A 128 ALA CB C 13 18.774 0.10 A 128 ALA N N 15 121.331 0.10 A 129 LEU H H 1 7.900 0.02 A 129 LEU HA H 1 3.830 0.02 A 129 LEU HBx H 1 1.479 0.02 A 129 LEU HBy H 1 1.715 0.02 A 129 LEU HDx% H 1 0.862 0.02 A 129 LEU HDy% H 1 0.812 0.02 A 129 LEU HG H 1 1.497 0.02 A 129 LEU C C 13 179.605 0.10 A 129 LEU CA C 13 58.024 0.10 A 129 LEU CB C 13 41.181 0.10 A 129 LEU CD1 C 13 24.967 0.10 A 129 LEU CD2 C 13 23.368 0.10 A 129 LEU N N 15 115.741 0.10 A 130 LYS H H 1 7.329 0.02 A 130 LYS HA H 1 3.881 0.02 A 130 LYS HBy H 1 2.023 0.02 A 130 LYS HBx H 1 2.015 0.02 A 130 LYS HDy H 1 1.910 0.02 A 130 LYS HDx H 1 1.894 0.02 A 130 LYS HEx H 1 3.112 0.02 A 130 LYS HEy H 1 3.123 0.02 A 130 LYS HGy H 1 1.718 0.02 A 130 LYS HGx H 1 1.538 0.02 A 130 LYS C C 13 178.385 0.10 A 130 LYS CA C 13 59.668 0.10 A 130 LYS CB C 13 32.687 0.10 A 130 LYS CE C 13 42.307 0.10 A 130 LYS CG C 13 25.486 0.10 A 130 LYS N N 15 119.702 0.10 A 131 ALA H H 1 7.454 0.02 A 131 ALA HA H 1 2.562 0.02 A 131 ALA HB% H 1 1.200 0.02 A 131 ALA C C 13 178.686 0.10 A 131 ALA CA C 13 54.716 0.10 A 131 ALA CB C 13 19.420 0.10 A 131 ALA N N 15 122.302 0.10 A 132 MET H H 1 8.111 0.02 A 132 MET HA H 1 3.865 0.02 A 132 MET HBy H 1 2.250 0.02 A 132 MET HBx H 1 1.943 0.02 A 132 MET HE% H 1 2.097 0.02 A 132 MET HGy H 1 2.435 0.02 A 132 MET HGx H 1 2.239 0.02 A 132 MET C C 13 176.973 0.10 A 132 MET CA C 13 59.571 0.10 A 132 MET CB C 13 33.335 0.10 A 132 MET CE C 13 17.117 0.10 A 132 MET CG C 13 31.568 0.10 A 132 MET N N 15 115.729 0.10 A 133 LYS H H 1 7.884 0.02 A 133 LYS HA H 1 3.950 0.02 A 133 LYS HBy H 1 1.867 0.02 A 133 LYS HBx H 1 1.866 0.02 A 133 LYS HDy H 1 1.689 0.02 A 133 LYS HDx H 1 1.675 0.02 A 133 LYS HEx H 1 2.964 0.02 A 133 LYS HEy H 1 2.966 0.02 A 133 LYS HGy H 1 1.512 0.02 A 133 LYS HGx H 1 1.452 0.02 A 133 LYS C C 13 178.584 0.10 A 133 LYS CA C 13 58.820 0.10 A 133 LYS CB C 13 32.221 0.10 A 133 LYS CD C 13 29.025 0.10 A 133 LYS CG C 13 24.938 0.10 A 133 LYS N N 15 117.056 0.10 A 134 GLN H H 1 7.441 0.02 A 134 GLN HA H 1 3.979 0.02 A 134 GLN HBx H 1 1.233 0.02 A 134 GLN HBy H 1 1.781 0.02 A 134 GLN HE21 H 1 6.941 0.02 A 134 GLN HE22 H 1 6.850 0.02 A 134 GLN HGx H 1 1.486 0.02 A 134 GLN HGy H 1 1.846 0.02 A 134 GLN C C 13 177.555 0.10 A 134 GLN CA C 13 58.057 0.10 A 134 GLN CB C 13 28.216 0.10 A 134 GLN CG C 13 32.305 0.10 A 134 GLN N N 15 116.470 0.10 A 134 GLN NE2 N 15 110.933 0.10 A 135 TYR H H 1 7.206 0.02 A 135 TYR HA H 1 5.059 0.02 A 135 TYR HBy H 1 3.483 0.02 A 135 TYR HBx H 1 2.453 0.02 A 135 TYR HDy H 1 6.812 0.02 A 135 TYR HDx H 1 6.811 0.02 A 135 TYR HEy H 1 6.664 0.02 A 135 TYR HEx H 1 6.660 0.02 A 135 TYR C C 13 175.744 0.10 A 135 TYR CA C 13 57.785 0.10 A 135 TYR CB C 13 40.395 0.10 A 135 TYR CDx C 13 132.131 0.10 A 135 TYR CDy C 13 132.131 0.10 A 135 TYR CEy C 13 118.242 0.10 A 135 TYR CEx C 13 118.186 0.10 A 135 TYR N N 15 111.017 0.10 A 136 LYS H H 1 8.505 0.02 A 136 LYS HA H 1 3.875 0.02 A 136 LYS HBx H 1 2.015 0.02 A 136 LYS HBy H 1 2.032 0.02 A 136 LYS HD2 H 1 1.796 0.02 A 136 LYS HD3 H 1 1.796 0.02 A 136 LYS HEx H 1 3.161 0.02 A 136 LYS HEy H 1 3.185 0.02 A 136 LYS HGx H 1 1.513 0.02 A 136 LYS HGy H 1 1.724 0.02 A 136 LYS C C 13 178.066 0.10 A 136 LYS CA C 13 60.350 0.10 A 136 LYS CB C 13 32.606 0.10 A 136 LYS CG C 13 25.489 0.10 A 136 LYS N N 15 121.609 0.10 A 137 GLY H H 1 9.244 0.02 A 137 GLY HAx H 1 3.663 0.02 A 137 GLY HAy H 1 4.311 0.02 A 137 GLY C C 13 174.022 0.10 A 137 GLY CA C 13 45.592 0.10 A 137 GLY N N 15 116.853 0.10 A 138 VAL H H 1 7.932 0.02 A 138 VAL HA H 1 4.074 0.02 A 138 VAL HB H 1 2.260 0.02 A 138 VAL HGx% H 1 0.993 0.02 A 138 VAL HGy% H 1 1.141 0.02 A 138 VAL CA C 13 61.199 0.10 A 138 VAL CB C 13 32.447 0.10 A 138 VAL CG1 C 13 21.319 0.10 A 138 VAL CG2 C 13 23.578 0.10 A 138 VAL N N 15 122.924 0.10 A 139 PRO HA H 1 4.801 0.02 A 139 PRO HBx H 1 1.827 0.02 A 139 PRO HBy H 1 2.017 0.02 A 139 PRO HDx H 1 3.658 0.02 A 139 PRO HDy H 1 4.209 0.02 A 139 PRO HGy H 1 2.256 0.02 A 139 PRO HGx H 1 2.033 0.02 A 139 PRO C C 13 175.556 0.10 A 139 PRO CB C 13 31.918 0.10 A 139 PRO CD C 13 50.916 0.10 A 139 PRO CG C 13 27.398 0.10 A 140 LEU H H 1 7.590 0.02 A 140 LEU HA H 1 4.504 0.02 A 140 LEU HBy H 1 1.750 0.02 A 140 LEU HBx H 1 1.415 0.02 A 140 LEU HDx% H 1 0.810 0.02 A 140 LEU HDy% H 1 0.763 0.02 A 140 LEU HG H 1 1.472 0.02 A 140 LEU C C 13 177.116 0.10 A 140 LEU CA C 13 53.704 0.10 A 140 LEU CB C 13 43.690 0.10 A 140 LEU CD1 C 13 24.951 0.10 A 140 LEU CD2 C 13 25.452 0.10 A 140 LEU N N 15 122.598 0.10 A 141 ASP H H 1 9.496 0.02 A 141 ASP HA H 1 4.332 0.02 A 141 ASP HBx H 1 2.736 0.02 A 141 ASP HBy H 1 2.976 0.02 A 141 ASP C C 13 175.979 0.10 A 141 ASP CA C 13 55.545 0.10 A 141 ASP CB C 13 39.538 0.10 A 141 ASP N N 15 127.937 0.10 A 142 GLY H H 1 8.522 0.02 A 142 GLY HAy H 1 4.218 0.02 A 142 GLY HAx H 1 3.653 0.02 A 142 GLY C C 13 173.955 0.10 A 142 GLY CA C 13 45.220 0.10 A 142 GLY N N 15 102.533 0.10 A 143 ARG H H 1 7.700 0.02 A 143 ARG HA H 1 4.955 0.02 A 143 ARG HBy H 1 1.925 0.02 A 143 ARG HBx H 1 1.865 0.02 A 143 ARG HDy H 1 3.117 0.02 A 143 ARG HDx H 1 3.116 0.02 A 143 ARG HE H 1 6.916 0.02 A 143 ARG HGx H 1 1.512 0.02 A 143 ARG HGy H 1 1.667 0.02 A 143 ARG HH11 H 1 6.535 0.02 A 143 ARG HH12 H 1 6.652 0.02 A 143 ARG CA C 13 53.163 0.10 A 143 ARG CB C 13 31.679 0.10 A 143 ARG CD C 13 42.899 0.10 A 143 ARG CG C 13 26.687 0.10 A 143 ARG N N 15 120.918 0.10 A 143 ARG NE N 15 84.600 0.10 A 144 PRO HA H 1 4.345 0.02 A 144 PRO HBx H 1 1.865 0.02 A 144 PRO HBy H 1 2.028 0.02 A 144 PRO HDx H 1 3.706 0.02 A 144 PRO HDy H 1 3.965 0.02 A 144 PRO HGx H 1 2.203 0.02 A 144 PRO HGy H 1 2.210 0.02 A 144 PRO C C 13 176.507 0.10 A 144 PRO CA C 13 61.901 0.10 A 144 PRO CB C 13 31.561 0.10 A 144 PRO CD C 13 51.178 0.10 A 144 PRO CG C 13 27.670 0.10 A 145 MET H H 1 8.390 0.02 A 145 MET HA H 1 4.424 0.02 A 145 MET HBx H 1 2.339 0.02 A 145 MET HBy H 1 2.341 0.02 A 145 MET HE% H 1 1.998 0.02 A 145 MET HGy H 1 2.617 0.02 A 145 MET HGx H 1 2.509 0.02 A 145 MET C C 13 175.592 0.10 A 145 MET CA C 13 57.193 0.10 A 145 MET CB C 13 33.856 0.10 A 145 MET CE C 13 16.689 0.10 A 145 MET CG C 13 31.810 0.10 A 145 MET N N 15 127.846 0.10 A 146 ASP H H 1 8.221 0.02 A 146 ASP HA H 1 5.235 0.02 A 146 ASP HBx H 1 2.544 0.02 A 146 ASP HBy H 1 2.792 0.02 A 146 ASP C C 13 175.450 0.10 A 146 ASP CA C 13 53.075 0.10 A 146 ASP CB C 13 42.551 0.10 A 146 ASP N N 15 127.228 0.10 A 147 ILE H H 1 7.725 0.02 A 147 ILE HA H 1 4.995 0.02 A 147 ILE HB H 1 1.528 0.02 A 147 ILE HD1% H 1 1.129 0.02 A 147 ILE HG1y H 1 1.318 0.02 A 147 ILE HG1x H 1 1.308 0.02 A 147 ILE HG2% H 1 0.901 0.02 A 147 ILE C C 13 173.626 0.10 A 147 ILE CA C 13 61.033 0.10 A 147 ILE CB C 13 43.209 0.10 A 147 ILE CD1 C 13 14.792 0.10 A 147 ILE CG1 C 13 28.607 0.10 A 147 ILE CG2 C 13 20.324 0.10 A 147 ILE N N 15 120.908 0.10 A 148 GLN H H 1 8.639 0.02 A 148 GLN HA H 1 4.762 0.02 A 148 GLN HBx H 1 1.842 0.02 A 148 GLN HBy H 1 2.116 0.02 A 148 GLN HE21 H 1 7.816 0.02 A 148 GLN HE22 H 1 6.790 0.02 A 148 GLN HGy H 1 2.324 0.02 A 148 GLN HGx H 1 2.322 0.02 A 148 GLN C C 13 173.848 0.10 A 148 GLN CA C 13 53.767 0.10 A 148 GLN CB C 13 32.980 0.10 A 148 GLN CG C 13 33.539 0.10 A 148 GLN N N 15 124.222 0.10 A 148 GLN NE2 N 15 112.761 0.10 A 149 LEU H H 1 8.657 0.02 A 149 LEU HA H 1 4.809 0.02 A 149 LEU HBy H 1 1.697 0.02 A 149 LEU HBx H 1 1.416 0.02 A 149 LEU HDx% H 1 0.819 0.02 A 149 LEU HDy% H 1 0.811 0.02 A 149 LEU HG H 1 1.444 0.02 A 149 LEU C C 13 176.656 0.10 A 149 LEU CA C 13 55.013 0.10 A 149 LEU CB C 13 43.242 0.10 A 149 LEU CD1 C 13 24.653 0.10 A 149 LEU CG C 13 29.044 0.10 A 149 LEU N N 15 125.824 0.10 A 150 VAL H H 1 8.699 0.02 A 150 VAL HA H 1 4.145 0.02 A 150 VAL HB H 1 1.966 0.02 A 150 VAL HGx% H 1 0.916 0.02 A 150 VAL HGy% H 1 0.847 0.02 A 150 VAL C C 13 175.136 0.10 A 150 VAL CA C 13 62.138 0.10 A 150 VAL CB C 13 33.145 0.10 A 150 VAL CG1 C 13 21.411 0.10 A 150 VAL CG2 C 13 21.315 0.10 A 150 VAL N N 15 126.799 0.10 A 151 ALA H H 1 8.532 0.02 A 151 ALA HA H 1 4.448 0.02 A 151 ALA HB% H 1 1.428 0.02 A 151 ALA C C 13 177.205 0.10 A 151 ALA CA C 13 52.201 0.10 A 151 ALA CB C 13 19.614 0.10 A 151 ALA N N 15 128.854 0.10 A 152 SER H H 1 8.388 0.02 A 152 SER HA H 1 4.445 0.02 A 152 SER HB2 H 1 3.872 0.02 A 152 SER HB3 H 1 3.872 0.02 A 152 SER C C 13 174.348 0.10 A 152 SER CA C 13 58.355 0.10 A 152 SER CB C 13 64.076 0.10 A 152 SER N N 15 115.662 0.10 A 153 GLN H H 1 8.542 0.02 A 153 GLN HA H 1 4.380 0.02 A 153 GLN HBx H 1 2.025 0.02 A 153 GLN HBy H 1 2.125 0.02 A 153 GLN HE21 H 1 6.875 0.02 A 153 GLN HE22 H 1 7.617 0.02 A 153 GLN HG2 H 1 2.377 0.02 A 153 GLN HG3 H 1 2.377 0.02 A 153 GLN C C 13 175.970 0.10 A 153 GLN CA C 13 56.292 0.10 A 153 GLN CB C 13 29.410 0.10 A 153 GLN CG C 13 34.088 0.10 A 153 GLN N N 15 122.187 0.10 A 153 GLN NE2 N 15 112.336 0.10 A 154 ILE H H 1 8.124 0.02 A 154 ILE HA H 1 4.139 0.02 A 154 ILE HB H 1 1.838 0.02 A 154 ILE HD1% H 1 0.851 0.02 A 154 ILE HG1y H 1 1.455 0.02 A 154 ILE HG1x H 1 1.173 0.02 A 154 ILE HG2% H 1 0.882 0.02 A 154 ILE C C 13 175.707 0.10 A 154 ILE CA C 13 61.425 0.10 A 154 ILE CB C 13 38.991 0.10 A 154 ILE CD1 C 13 13.039 0.10 A 154 ILE CG1 C 13 27.553 0.10 A 154 ILE CG2 C 13 17.407 0.10 A 154 ILE N N 15 121.071 0.10 A 155 ASP H H 1 8.322 0.02 A 155 ASP HA H 1 4.655 0.02 A 155 ASP HBy H 1 2.774 0.02 A 155 ASP HBx H 1 2.676 0.02 A 155 ASP C C 13 176.411 0.10 A 155 ASP CA C 13 54.308 0.10 A 155 ASP CB C 13 41.403 0.10 A 155 ASP N N 15 123.702 0.10 A 156 LEU H H 1 8.215 0.02 A 156 LEU HA H 1 4.231 0.02 A 156 LEU HBy H 1 1.648 0.02 A 156 LEU HBx H 1 1.603 0.02 A 156 LEU HDx% H 1 0.847 0.02 A 156 LEU HDy% H 1 0.914 0.02 A 156 LEU HG H 1 1.632 0.02 A 156 LEU C C 13 177.789 0.10 A 156 LEU CA C 13 55.643 0.10 A 156 LEU CB C 13 42.266 0.10 A 156 LEU CD1 C 13 23.179 0.10 A 156 LEU CD2 C 13 25.061 0.10 A 156 LEU CG C 13 27.153 0.10 A 156 LEU N N 15 122.794 0.10 A 157 GLU H H 1 8.223 0.02 A 157 GLU HA H 1 4.152 0.02 A 157 GLU HBy H 1 1.913 0.02 A 157 GLU HBx H 1 1.906 0.02 A 157 GLU HGy H 1 2.239 0.02 A 157 GLU HGx H 1 2.153 0.02 A 157 GLU C C 13 176.513 0.10 A 157 GLU CB C 13 30.265 0.10 A 157 GLU CG C 13 36.191 0.10 A 157 GLU N N 15 119.436 0.10 A 158 HIS H H 1 8.188 0.02 A 158 HIS HA H 1 4.630 0.02 A 158 HIS HBy H 1 3.153 0.02 A 158 HIS HBx H 1 3.064 0.02 A 158 HIS N N 15 117.952 0.10 A 159 HIS C C 13 173.715 0.10 A 160 HIS H H 1 8.303 0.02 A 160 HIS HA H 1 4.494 0.02 A 160 HIS HBy H 1 3.225 0.02 A 160 HIS HBx H 1 3.144 0.02 A 160 HIS N N 15 125.227 0.10 B 98 GLY HAx H 1 4.021 0.02 B 98 GLY HAy H 1 4.023 0.02 B 98 GLY CA C 13 43.407 0.10 B 99 PRO HA H 1 4.510 0.02 B 99 PRO HBy H 1 2.350 0.02 B 99 PRO HBx H 1 1.987 0.02 B 99 PRO HD2 H 1 3.607 0.02 B 99 PRO HD3 H 1 3.607 0.02 B 99 PRO HGy H 1 2.048 0.02 B 99 PRO HGx H 1 2.046 0.02 B 99 PRO C C 13 177.014 0.10 B 99 PRO CA C 13 63.126 0.10 B 99 PRO CB C 13 32.341 0.10 B 99 PRO CD C 13 49.651 0.10 B 99 PRO CG C 13 27.124 0.10 B 100 LEU H H 1 8.554 0.02 B 100 LEU HA H 1 4.387 0.02 B 100 LEU HBy H 1 1.716 0.02 B 100 LEU HBx H 1 1.674 0.02 B 100 LEU HDx% H 1 0.973 0.02 B 100 LEU HDy% H 1 0.931 0.02 B 100 LEU HG H 1 1.509 0.02 B 100 LEU CA C 13 55.521 0.10 B 100 LEU CB C 13 42.308 0.10 B 100 LEU CD1 C 13 24.332 0.10 B 100 LEU CD2 C 13 23.574 0.10 B 100 LEU N N 15 122.375 0.10 B 101 GLY HAy H 1 4.043 0.02 B 101 GLY HAx H 1 4.029 0.02 B 101 GLY CA C 13 45.392 0.10 B 102 SER HBx H 1 3.908 0.02 B 102 SER HBy H 1 3.933 0.02 B 103 SER HA H 1 4.548 0.02 B 103 SER HBy H 1 3.958 0.02 B 103 SER HBx H 1 3.926 0.02 B 103 SER C C 13 174.389 0.10 B 103 SER CA C 13 58.539 0.10 B 103 SER CB C 13 63.917 0.10 B 104 CYS H H 1 8.376 0.02 B 104 CYS HA H 1 4.561 0.02 B 104 CYS HBx H 1 2.976 0.02 B 104 CYS HBy H 1 2.983 0.02 B 104 CYS CA C 13 58.539 0.10 B 104 CYS CB C 13 28.071 0.10 B 104 CYS N N 15 120.862 0.10 B 105 LYS HD2 H 1 1.703 0.02 B 105 LYS HD3 H 1 1.703 0.02 B 105 LYS HEy H 1 3.031 0.02 B 105 LYS HEx H 1 2.986 0.02 B 105 LYS HG3 H 1 1.467 0.02 B 105 LYS CD C 13 28.851 0.10 B 105 LYS CE C 13 42.195 0.10 B 106 THR HB H 1 4.141 0.02 B 106 THR CA C 13 61.678 0.10 B 106 THR CB C 13 70.105 0.10 B 106 THR CG2 C 13 22.235 0.10 B 107 SER CB C 13 65.167 0.10 B 108 TRP HA H 1 4.551 0.02 B 108 TRP HBx H 1 3.008 0.02 B 108 TRP HBy H 1 3.348 0.02 B 108 TRP HD1 H 1 7.167 0.02 B 108 TRP HE1 H 1 9.974 0.02 B 108 TRP HE3 H 1 7.490 0.02 B 108 TRP HH2 H 1 6.720 0.02 B 108 TRP HZ2 H 1 7.221 0.02 B 108 TRP HZ3 H 1 7.272 0.02 B 108 TRP CA C 13 57.620 0.10 B 108 TRP CB C 13 28.221 0.10 B 108 TRP CD1 C 13 127.535 0.10 B 108 TRP CH2 C 13 123.041 0.10 B 108 TRP CZ2 C 13 115.581 0.10 B 108 TRP CZ3 C 13 120.450 0.10 B 108 TRP NE1 N 15 130.799 0.10 B 109 ALA HB% H 1 1.361 0.02 B 110 ASP C C 13 179.357 0.10 B 111 ARG H H 1 8.110 0.02 B 111 ARG HE H 1 7.045 0.02 B 111 ARG HH11 H 1 6.880 0.02 B 111 ARG HH21 H 1 6.805 0.02 B 111 ARG N N 15 121.907 0.10 B 111 ARG NE N 15 84.330 0.10 B 112 VAL HB H 1 1.375 0.02 B 112 VAL HGx% H 1 -0.411 0.02 B 112 VAL HGy% H 1 0.275 0.02 B 112 VAL CG1 C 13 21.452 0.10 B 112 VAL CG2 C 13 22.566 0.10 B 113 ARG HE H 1 7.383 0.02 B 113 ARG HH11 H 1 6.492 0.02 B 113 ARG HH12 H 1 6.575 0.02 B 113 ARG HH21 H 1 6.806 0.02 B 113 ARG HH22 H 1 6.883 0.02 B 113 ARG NE N 15 86.223 0.10 B 114 GLU HGy H 1 2.364 0.02 B 114 GLU HGx H 1 2.214 0.02 B 114 GLU CG C 13 36.095 0.10 B 115 ALA HB% H 1 1.481 0.02 B 116 ALA HB% H 1 1.661 0.02 B 116 ALA CB C 13 18.899 0.10 B 117 ALA HB% H 1 1.553 0.02 B 118 GLN HE21 H 1 7.540 0.02 B 118 GLN HE22 H 1 6.864 0.02 B 118 GLN HGx H 1 2.525 0.02 B 118 GLN HGy H 1 2.560 0.02 B 118 GLN NE2 N 15 112.181 0.10 B 119 ARG HD3 H 1 3.222 0.02 B 119 ARG HE H 1 7.452 0.02 B 119 ARG HGx H 1 1.789 0.02 B 119 ARG HGy H 1 1.815 0.02 B 119 ARG CD C 13 44.153 0.10 B 119 ARG CG C 13 26.939 0.10 B 119 ARG NE N 15 84.454 0.10 B 120 ARG HDx H 1 3.243 0.02 B 120 ARG HDy H 1 3.257 0.02 B 120 ARG HE H 1 7.242 0.02 B 120 ARG HGx H 1 1.671 0.02 B 120 ARG HGy H 1 1.676 0.02 B 120 ARG CD C 13 43.332 0.10 B 120 ARG CG C 13 27.591 0.10 B 120 ARG NE N 15 85.281 0.10 stop_ save_ save_assigned_chem_shift_list_1_2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1_2 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 42 SER C C 13 178.015 0.10 A 43 MET H H 1 8.446 0.02 A 43 MET C C 13 174.326 0.10 A 43 MET N N 15 109.953 0.10 A 44 THR H H 1 8.267 0.02 A 44 THR HA H 1 4.546 0.02 A 44 THR C C 13 174.792 0.10 A 44 THR CA C 13 58.479 0.10 A 44 THR CB C 13 63.905 0.10 A 44 THR N N 15 115.540 0.10 A 45 GLY H H 1 8.471 0.02 A 45 GLY N N 15 117.634 0.10 A 46 GLY C C 13 174.408 0.10 A 47 GLN H H 1 8.495 0.02 A 47 GLN HA H 1 4.451 0.02 A 47 GLN HBx H 1 1.798 0.02 A 47 GLN HBy H 1 1.881 0.02 A 47 GLN HG2 H 1 1.463 0.02 A 47 GLN C C 13 176.334 0.10 A 47 GLN CA C 13 56.269 0.10 A 47 GLN CB C 13 33.027 0.10 A 47 GLN CG C 13 24.645 0.10 A 47 GLN N N 15 123.996 0.10 A 48 GLN H H 1 8.197 0.02 A 48 GLN HA H 1 4.459 0.02 A 48 GLN HG2 H 1 1.304 0.02 A 48 GLN N N 15 116.666 0.10 A 49 MET H H 1 9.637 0.02 A 49 MET HA H 1 4.543 0.02 A 49 MET HBy H 1 4.580 0.02 A 49 MET HBx H 1 4.105 0.02 A 49 MET C C 13 174.228 0.10 A 49 MET CA C 13 57.783 0.10 A 49 MET N N 15 117.098 0.10 A 50 GLY H H 1 9.194 0.02 A 50 GLY C C 13 174.469 0.10 A 50 GLY N N 15 124.633 0.10 A 51 ARG H H 1 9.139 0.02 A 51 ARG HA H 1 3.983 0.02 A 51 ARG C C 13 179.301 0.10 A 51 ARG CB C 13 17.736 0.10 A 51 ARG N N 15 122.622 0.10 A 52 ASP H H 1 7.743 0.02 A 52 ASP HA H 1 4.386 0.02 A 52 ASP HBy H 1 2.888 0.02 A 52 ASP HBx H 1 2.555 0.02 A 52 ASP CA C 13 57.323 0.10 A 52 ASP CB C 13 40.160 0.10 A 52 ASP N N 15 116.437 0.10 A 53 PRO HA H 1 3.992 0.02 A 53 PRO HBx H 1 1.811 0.02 A 53 PRO HBy H 1 1.925 0.02 A 53 PRO HDy H 1 3.238 0.02 A 53 PRO HDx H 1 3.176 0.02 A 53 PRO HGx H 1 1.478 0.02 A 53 PRO HGy H 1 1.884 0.02 A 53 PRO C C 13 179.791 0.10 A 53 PRO CA C 13 59.824 0.10 A 53 PRO CB C 13 29.026 0.10 A 53 PRO CD C 13 43.822 0.10 A 53 PRO CG C 13 28.294 0.10 A 54 ASP H H 1 8.233 0.02 A 54 ASP HA H 1 3.209 0.02 A 54 ASP C C 13 177.905 0.10 A 54 ASP CA C 13 66.711 0.10 A 54 ASP CB C 13 30.350 0.10 A 54 ASP N N 15 123.264 0.10 A 55 LYS H H 1 8.234 0.02 A 55 LYS HA H 1 4.017 0.02 A 55 LYS HBx H 1 1.829 0.02 A 55 LYS HBy H 1 1.918 0.02 A 55 LYS HDy H 1 3.255 0.02 A 55 LYS HDx H 1 3.166 0.02 A 55 LYS HGy H 1 1.769 0.02 A 55 LYS HGx H 1 1.727 0.02 A 55 LYS C C 13 179.871 0.10 A 55 LYS CA C 13 60.635 0.10 A 55 LYS CB C 13 30.339 0.10 A 55 LYS CD C 13 43.635 0.10 A 55 LYS CG C 13 27.895 0.10 A 55 LYS N N 15 119.465 0.10 A 56 TRP H H 1 7.964 0.02 A 56 TRP HA H 1 4.099 0.02 A 56 TRP HBx H 1 2.075 0.02 A 56 TRP HBy H 1 2.079 0.02 A 56 TRP C C 13 178.405 0.10 A 56 TRP CA C 13 59.064 0.10 A 56 TRP CB C 13 29.608 0.10 A 56 TRP N N 15 119.747 0.10 A 57 GLN H H 1 7.958 0.02 A 57 GLN HA H 1 4.166 0.02 A 57 GLN C C 13 180.738 0.10 A 57 GLN CA C 13 54.764 0.10 A 57 GLN CB C 13 18.415 0.10 A 57 GLN N N 15 122.811 0.10 A 58 HIS H H 1 8.623 0.02 A 58 HIS HA H 1 4.162 0.02 A 58 HIS C C 13 179.019 0.10 A 58 HIS CA C 13 54.323 0.10 A 58 HIS N N 15 120.271 0.10 A 59 ASP H H 1 7.736 0.02 A 59 ASP HA H 1 4.278 0.02 A 59 ASP C C 13 178.651 0.10 A 59 ASP CA C 13 53.674 0.10 A 59 ASP CB C 13 18.450 0.10 A 59 ASP N N 15 120.162 0.10 A 60 LEU H H 1 7.652 0.02 A 60 LEU HA H 1 4.321 0.02 A 60 LEU HBy H 1 2.271 0.02 A 60 LEU HBx H 1 2.100 0.02 A 60 LEU C C 13 176.106 0.10 A 60 LEU CA C 13 56.010 0.10 A 60 LEU CB C 13 28.856 0.10 A 60 LEU CG C 13 33.727 0.10 A 60 LEU N N 15 115.793 0.10 A 61 PHE H H 1 7.707 0.02 A 61 PHE HA H 1 4.377 0.02 A 61 PHE HBx H 1 1.899 0.02 A 61 PHE HBy H 1 1.995 0.02 A 61 PHE HDy H 1 3.258 0.02 A 61 PHE C C 13 175.253 0.10 A 61 PHE CA C 13 56.409 0.10 A 61 PHE CB C 13 30.567 0.10 A 61 PHE N N 15 120.399 0.10 A 62 ASP H H 1 7.899 0.02 A 62 ASP HA H 1 4.236 0.02 A 62 ASP HBx H 1 1.767 0.02 A 62 ASP HBy H 1 1.910 0.02 A 62 ASP CA C 13 57.173 0.10 A 62 ASP CB C 13 31.568 0.10 A 62 ASP N N 15 127.684 0.10 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 82 LEU HDy% B 108 TRP HZ2 1.0 . 5.5 2 2 A 82 LEU HDx% B 108 TRP HH2 1.0 . 5.5 3 3 B 108 TRP HZ2 A 82 LEU HDx% 1.0 . 5.5 4 4 B 108 TRP HH2 A 86 VAL H 1.0 . 5.5 5 5 B 108 TRP HZ2 A 86 VAL H 1.0 . 5.5 6 6 B 108 TRP HH2 A 86 VAL HGx% 1.0 . 5.5 7 7 B 108 TRP HZ2 A 86 VAL HGx% 1.0 . 5.5 8 8 B 108 TRP HH2 A 86 VAL HGy% 1.0 . 5.0 9 9 A 91 ILE HD1% B 108 TRP HZ3 1.0 . 5.5 10 10 A 93 GLU HA B 109 ALA HB% 1.0 . 5.5 11 11 B 109 ALA HB% A 93 GLU HBx 1.0 . 5.0 12 12 B 109 ALA HB% A 93 GLU HBy 1.0 . 5.0 13 13 B 109 ALA HB% A 93 GLU HGy 1.0 . 4.0 14 14 B 109 ALA HB% A 93 GLU HGx 1.0 . 4.0 15 15 B 108 TRP HZ3 A 94 LEU H 1.0 . 5.5 16 16 B 109 ALA HB% A 94 LEU HA 1.0 . 4.0 17 17 B 109 ALA HB% A 94 LEU HDx% 1.0 . 4.0 18 18 A 94 LEU HDx% B 113 ARG HGy 1.0 . 5.0 19 19 A 94 LEU HDx% B 113 ARG HGx 1.0 . 5.5 20 20 A 94 LEU HDx% B 113 ARG HDx 1.0 . 5.5 21 21 A 94 LEU HDx% B 113 ARG H 1.0 . 5.5 22 22 B 108 TRP HH2 A 94 LEU HDx% 1.0 . 5.5 23 23 B 108 TRP HZ3 A 94 LEU HDx% 1.0 . 5.5 24 24 B 109 ALA HB% A 94 LEU HDy% 1.0 . 5.5 25 25 B 108 TRP HH2 A 94 LEU HDy% 1.0 . 5.5 26 26 B 108 TRP HZ3 A 94 LEU HDy% 1.0 . 5.5 27 27 A 140 LEU HA B 115 ALA HB% 1.0 . 5.5 28 28 A 140 LEU HDx% B 111 ARG HGy 1.0 . 4.5 29 29 A 140 LEU HDx% B 111 ARG HBx 1.0 . 4.5 30 30 A 140 LEU HDx% B 111 ARG HDy 1.0 . 5.5 31 31 B 115 ALA HB% A 140 LEU HDx% 1.0 . 4.5 32 32 B 115 ALA HB% A 140 LEU HDy% 1.0 . 5.0 33 33 A 140 LEU HDx% B 116 ALA HB% 1.0 . 5.5 34 34 B 111 ARG HGy A 140 LEU HDy% 1.0 . 4.5 35 35 B 111 ARG HBx A 140 LEU HDy% 1.0 . 5.0 36 36 B 111 ARG HDy A 140 LEU HDy% 1.0 . 5.5 37 37 A 140 LEU HDx% B 108 TRP HD1 1.0 . 5.5 38 38 B 108 TRP HZ2 A 140 LEU HDy% 1.0 . 4.5 39 39 A 140 LEU HDy% B 108 TRP HE1 1.0 . 4.5 40 40 A 138 VAL HA B 119 ARG HDx 1.0 . 5.5 41 41 B 115 ALA HB% A 138 VAL HA 1.0 . 5.5 42 42 B 115 ALA HB% A 138 VAL HB 1.0 . 5.5 43 43 A 138 VAL HGx% B 116 ALA HA 1.0 . 4.5 44 44 B 116 ALA HB% A 138 VAL HGx% 1.0 . 5.5 45 45 B 119 ARG HDx A 138 VAL HGx% 1.0 . 5.0 46 46 B 119 ARG HDx A 138 VAL HGy% 1.0 . 5.5 47 47 B 115 ALA HB% A 138 VAL HGx% 1.0 . 4.5 48 48 B 115 ALA HB% A 138 VAL HGy% 1.0 . 4.0 49 49 B 116 ALA HA A 138 VAL HGy% 1.0 . 5.0 50 50 B 115 ALA HB% A 139 PRO HDx 1.0 . 5.5 51 51 B 119 ARG HDx A 139 PRO HDx 1.0 . 5.5 52 52 B 115 ALA HB% A 139 PRO HDy 1.0 . 5.5 53 53 B 119 ARG HDx A 139 PRO HDy 1.0 . 5.5 54 54 B 115 ALA HB% A 145 MET HE% 1.0 . 5.5 55 55 A 145 MET HE% B 112 VAL HGy% 1.0 . 5.5 56 56 B 108 TRP HZ3 B 109 ALA HB% 1.0 . 5.5 57 57 B 109 ALA HB% B 108 TRP HE3 1.0 . 5.5 58 58 A 94 LEU HDy% B 112 VAL HGx% 1.0 . 4.5 59 59 A 135 TYR HEy B 117 ALA HB% 1.0 . 5.5 60 60 A 82 LEU HDx% B 108 TRP HE1 1.0 . 5.5 61 61 A 86 VAL HGx% B 108 TRP HE1 1.0 . 5.5 62 62 A 145 MET HE% A 98 PHE HEy 1.0 . 5.0 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _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 51 ARG C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 -89.4 -49.4 PHI 2 2 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 PRO N 1.0 109.5 168.0 PSI 3 3 A 53 PRO C A 54 ASP N A 54 ASP CA A 54 ASP C 1.0 -102.6 -43.2 PHI 4 4 A 54 ASP N A 54 ASP CA A 54 ASP C A 55 LYS N 1.0 -64.1 18.8 PSI 5 5 A 54 ASP C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -138.2 -29.5 PHI 6 6 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 TRP N 1.0 -81.0 40.3 PSI 7 7 A 58 HIS C A 59 ASP N A 59 ASP CA A 59 ASP C 1.0 -90.0 -49.5 PHI 8 8 A 59 ASP N A 59 ASP CA A 59 ASP C A 60 LEU N 1.0 -73.5 15.8 PSI 9 9 A 59 ASP C A 60 LEU N A 60 LEU CA A 60 LEU C 1.0 -140.2 -38.5 PHI 10 10 A 60 LEU N A 60 LEU CA A 60 LEU C A 61 PHE N 1.0 -57.3 33.4 PSI 11 11 A 74 GLY C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -163.7 -87.7 PHI 12 12 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 LYS N 1.0 115.1 185.2 PSI 13 13 A 75 ALA C A 76 LYS N A 76 LYS CA A 76 LYS C 1.0 -176.3 -81.6 PHI 14 14 A 76 LYS N A 76 LYS CA A 76 LYS C A 77 LEU N 1.0 114.2 176.0 PSI 15 15 A 76 LYS C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -155.6 -91.1 PHI 16 16 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 LEU N 1.0 100.7 179.0 PSI 17 17 A 77 LEU C A 78 LEU N A 78 LEU CA A 78 LEU C 1.0 -157.1 -69.8 PHI 18 18 A 78 LEU N A 78 LEU CA A 78 LEU C A 79 VAL N 1.0 98.1 138.1 PSI 19 19 A 78 LEU C A 79 VAL N A 79 VAL CA A 79 VAL C 1.0 -132.0 -91.0 PHI 20 20 A 79 VAL N A 79 VAL CA A 79 VAL C A 80 SER N 1.0 112.7 152.7 PSI 21 21 A 79 VAL C A 80 SER N A 80 SER CA A 80 SER C 1.0 -153.9 -106.9 PHI 22 22 A 80 SER N A 80 SER CA A 80 SER C A 81 ASN N 1.0 133.0 180.7 PSI 23 23 A 82 LEU C A 83 ASP N A 83 ASP CA A 83 ASP C 1.0 -137.7 -34.3 PHI 24 24 A 83 ASP N A 83 ASP CA A 83 ASP C A 84 PHE N 1.0 104.1 177.2 PSI 25 25 A 85 GLY C A 86 VAL N A 86 VAL CA A 86 VAL C 1.0 -97.2 -49.0 PHI 26 26 A 86 VAL N A 86 VAL CA A 86 VAL C A 87 SER N 1.0 115.3 155.3 PSI 27 27 A 86 VAL C A 87 SER N A 87 SER CA A 87 SER C 1.0 -149.2 -58.8 PHI 28 28 A 87 SER N A 87 SER CA A 87 SER C A 88 ASP N 1.0 115.6 211.0 PSI 29 29 A 87 SER C A 88 ASP N A 88 ASP CA A 88 ASP C 1.0 -80.6 -40.6 PHI 30 30 A 88 ASP N A 88 ASP CA A 88 ASP C A 89 ALA N 1.0 -61.7 -21.7 PSI 31 31 A 88 ASP C A 89 ALA N A 89 ALA CA A 89 ALA C 1.0 -87.5 -47.5 PHI 32 32 A 89 ALA N A 89 ALA CA A 89 ALA C A 90 ASP N 1.0 -55.5 -15.5 PSI 33 33 A 89 ALA C A 90 ASP N A 90 ASP CA A 90 ASP C 1.0 -85.8 -45.8 PHI 34 34 A 90 ASP N A 90 ASP CA A 90 ASP C A 91 ILE N 1.0 -64.6 -24.6 PSI 35 35 A 90 ASP C A 91 ILE N A 91 ILE CA A 91 ILE C 1.0 -84.8 -44.8 PHI 36 36 A 91 ILE N A 91 ILE CA A 91 ILE C A 92 GLN N 1.0 -53.6 -13.6 PSI 37 37 A 91 ILE C A 92 GLN N A 92 GLN CA A 92 GLN C 1.0 -84.2 -44.2 PHI 38 38 A 92 GLN N A 92 GLN CA A 92 GLN C A 93 GLU N 1.0 -59.0 -19.0 PSI 39 39 A 92 GLN C A 93 GLU N A 93 GLU CA A 93 GLU C 1.0 -87.1 -47.1 PHI 40 40 A 93 GLU N A 93 GLU CA A 93 GLU C A 94 LEU N 1.0 -61.9 -21.9 PSI 41 41 A 93 GLU C A 94 LEU N A 94 LEU CA A 94 LEU C 1.0 -89.1 -49.1 PHI 42 42 A 94 LEU N A 94 LEU CA A 94 LEU C A 95 PHE N 1.0 -64.3 -24.3 PSI 43 43 A 94 LEU C A 95 PHE N A 95 PHE CA A 95 PHE C 1.0 -88.2 -48.2 PHI 44 44 A 95 PHE N A 95 PHE CA A 95 PHE C A 96 ALA N 1.0 -60.2 -20.2 PSI 45 45 A 95 PHE C A 96 ALA N A 96 ALA CA A 96 ALA C 1.0 -86.6 -46.6 PHI 46 46 A 96 ALA N A 96 ALA CA A 96 ALA C A 97 GLU N 1.0 -55.8 -15.8 PSI 47 47 A 96 ALA C A 97 GLU N A 97 GLU CA A 97 GLU C 1.0 -94.2 -51.8 PHI 48 48 A 97 GLU N A 97 GLU CA A 97 GLU C A 98 PHE N 1.0 -79.3 29.3 PSI 49 49 A 97 GLU C A 98 PHE N A 98 PHE CA A 98 PHE C 1.0 -114.7 -60.2 PHI 50 50 A 98 PHE N A 98 PHE CA A 98 PHE C A 99 GLY N 1.0 -59.0 14.6 PSI 51 51 A 100 THR C A 101 LEU N A 101 LEU CA A 101 LEU C 1.0 -137.6 -57.2 PHI 52 52 A 101 LEU N A 101 LEU CA A 101 LEU C A 102 LYS N 1.0 110.8 200.3 PSI 53 53 A 101 LEU C A 102 LYS N A 102 LYS CA A 102 LYS C 1.0 -126.9 -75.6 PHI 54 54 A 102 LYS N A 102 LYS CA A 102 LYS C A 103 LYS N 1.0 -55.4 21.5 PSI 55 55 A 102 LYS C A 103 LYS N A 103 LYS CA A 103 LYS C 1.0 -173.2 -133.2 PHI 56 56 A 103 LYS N A 103 LYS CA A 103 LYS C A 104 ALA N 1.0 121.2 161.2 PSI 57 57 A 103 LYS C A 104 ALA N A 104 ALA CA A 104 ALA C 1.0 -155.7 -78.7 PHI 58 58 A 104 ALA N A 104 ALA CA A 104 ALA C A 105 ALA N 1.0 78.4 160.1 PSI 59 59 A 104 ALA C A 105 ALA N A 105 ALA CA A 105 ALA C 1.0 -146.1 -86.9 PHI 60 60 A 105 ALA N A 105 ALA CA A 105 ALA C A 106 VAL N 1.0 107.8 157.2 PSI 61 61 A 105 ALA C A 106 VAL N A 106 VAL CA A 106 VAL C 1.0 -143.3 -66.6 PHI 62 62 A 106 VAL N A 106 VAL CA A 106 VAL C A 107 ASP N 1.0 112.4 152.4 PSI 63 63 A 106 VAL C A 107 ASP N A 107 ASP CA A 107 ASP C 1.0 -182.9 -52.1 PHI 64 64 A 107 ASP N A 107 ASP CA A 107 ASP C A 108 TYR N 1.0 115.0 186.2 PSI 65 65 A 107 ASP C A 108 TYR N A 108 TYR CA A 108 TYR C 1.0 -163.5 -75.0 PHI 66 66 A 108 TYR N A 108 TYR CA A 108 TYR C A 109 ASP N 1.0 128.6 168.6 PSI 67 67 A 108 TYR C A 109 ASP N A 109 ASP CA A 109 ASP C 1.0 -110.7 -70.7 PHI 68 68 A 109 ASP N A 109 ASP CA A 109 ASP C A 110 ARG N 1.0 123.4 219.5 PSI 69 69 A 109 ASP C A 110 ARG N A 110 ARG CA A 110 ARG C 1.0 -81.3 -41.3 PHI 70 70 A 110 ARG N A 110 ARG CA A 110 ARG C A 111 SER N 1.0 -38.7 1.3 PSI 71 71 A 110 ARG C A 111 SER N A 111 SER CA A 111 SER C 1.0 -121.7 -70.8 PHI 72 72 A 111 SER N A 111 SER CA A 111 SER C A 112 GLY N 1.0 -22.2 22.9 PSI 73 73 A 116 GLY C A 117 THR N A 117 THR CA A 117 THR C 1.0 -172.0 -104.0 PHI 74 74 A 117 THR N A 117 THR CA A 117 THR C A 118 ALA N 1.0 142.0 190.0 PSI 75 75 A 117 THR C A 118 ALA N A 118 ALA CA A 118 ALA C 1.0 -181.3 -103.6 PHI 76 76 A 118 ALA N A 118 ALA CA A 118 ALA C A 119 ASP N 1.0 114.1 169.7 PSI 77 77 A 118 ALA C A 119 ASP N A 119 ASP CA A 119 ASP C 1.0 -148.3 -79.3 PHI 78 78 A 119 ASP N A 119 ASP CA A 119 ASP C A 120 VAL N 1.0 108.3 152.7 PSI 79 79 A 119 ASP C A 120 VAL N A 120 VAL CA A 120 VAL C 1.0 -142.0 -81.3 PHI 80 80 A 120 VAL N A 120 VAL CA A 120 VAL C A 121 HIS N 1.0 100.9 140.9 PSI 81 81 A 120 VAL C A 121 HIS N A 121 HIS CA A 121 HIS C 1.0 -142.9 -95.7 PHI 82 82 A 121 HIS N A 121 HIS CA A 121 HIS C A 122 PHE N 1.0 114.3 158.6 PSI 83 83 A 121 HIS C A 122 PHE N A 122 PHE CA A 122 PHE C 1.0 -142.5 -36.3 PHI 84 84 A 122 PHE N A 122 PHE CA A 122 PHE C A 123 GLU N 1.0 115.2 176.4 PSI 85 85 A 122 PHE C A 123 GLU N A 123 GLU CA A 123 GLU C 1.0 -89.5 -44.5 PHI 86 86 A 123 GLU N A 123 GLU CA A 123 GLU C A 124 ARG N 1.0 -55.8 -15.8 PSI 87 87 A 124 ARG C A 125 ARG N A 125 ARG CA A 125 ARG C 1.0 -74.6 -34.6 PHI 88 88 A 125 ARG N A 125 ARG CA A 125 ARG C A 126 ALA N 1.0 -67.7 -27.7 PSI 89 89 A 125 ARG C A 126 ALA N A 126 ALA CA A 126 ALA C 1.0 -78.3 -38.3 PHI 90 90 A 126 ALA N A 126 ALA CA A 126 ALA C A 127 ASP N 1.0 -63.2 -14.1 PSI 91 91 A 126 ALA C A 127 ASP N A 127 ASP CA A 127 ASP C 1.0 -85.0 -45.0 PHI 92 92 A 127 ASP N A 127 ASP CA A 127 ASP C A 128 ALA N 1.0 -63.1 -23.1 PSI 93 93 A 127 ASP C A 128 ALA N A 128 ALA CA A 128 ALA C 1.0 -81.2 -41.2 PHI 94 94 A 128 ALA N A 128 ALA CA A 128 ALA C A 129 LEU N 1.0 -59.3 -19.3 PSI 95 95 A 128 ALA C A 129 LEU N A 129 LEU CA A 129 LEU C 1.0 -84.1 -44.1 PHI 96 96 A 129 LEU N A 129 LEU CA A 129 LEU C A 130 LYS N 1.0 -57.6 -17.6 PSI 97 97 A 129 LEU C A 130 LYS N A 130 LYS CA A 130 LYS C 1.0 -82.2 -42.2 PHI 98 98 A 130 LYS N A 130 LYS CA A 130 LYS C A 131 ALA N 1.0 -63.2 -23.2 PSI 99 99 A 130 LYS C A 131 ALA N A 131 ALA CA A 131 ALA C 1.0 -82.3 -42.3 PHI 100 100 A 131 ALA N A 131 ALA CA A 131 ALA C A 132 MET N 1.0 -61.7 -21.7 PSI 101 101 A 131 ALA C A 132 MET N A 132 MET CA A 132 MET C 1.0 -77.3 -37.3 PHI 102 102 A 132 MET N A 132 MET CA A 132 MET C A 133 LYS N 1.0 -65.9 -25.9 PSI 103 103 A 132 MET C A 133 LYS N A 133 LYS CA A 133 LYS C 1.0 -80.0 -40.0 PHI 104 104 A 133 LYS N A 133 LYS CA A 133 LYS C A 134 GLN N 1.0 -64.1 -24.1 PSI 105 105 A 133 LYS C A 134 GLN N A 134 GLN CA A 134 GLN C 1.0 -88.6 -48.6 PHI 106 106 A 134 GLN N A 134 GLN CA A 134 GLN C A 135 TYR N 1.0 -57.7 -11.0 PSI 107 107 A 134 GLN C A 135 TYR N A 135 TYR CA A 135 TYR C 1.0 -133.8 -74.6 PHI 108 108 A 135 TYR N A 135 TYR CA A 135 TYR C A 136 LYS N 1.0 -43.8 29.9 PSI 109 109 A 135 TYR C A 136 LYS N A 136 LYS CA A 136 LYS C 1.0 -77.6 -37.6 PHI 110 110 A 136 LYS N A 136 LYS CA A 136 LYS C A 137 GLY N 1.0 113.0 153.0 PSI 111 111 A 136 LYS C A 137 GLY N A 137 GLY CA A 137 GLY C 1.0 64.1 115.2 PHI 112 112 A 137 GLY N A 137 GLY CA A 137 GLY C A 138 VAL N 1.0 -30.6 10.6 PSI 113 113 A 137 GLY C A 138 VAL N A 138 VAL CA A 138 VAL C 1.0 -121.0 -51.0 PHI 114 114 A 138 VAL N A 138 VAL CA A 138 VAL C A 139 PRO N 1.0 114.2 159.5 PSI 115 115 A 139 PRO N A 139 PRO CA A 139 PRO C A 140 LEU N 1.0 129.8 169.8 PSI 116 116 A 139 PRO C A 140 LEU N A 140 LEU CA A 140 LEU C 1.0 -147.2 -93.2 PHI 117 117 A 140 LEU N A 140 LEU CA A 140 LEU C A 141 ASP N 1.0 98.2 143.4 PSI 118 118 A 140 LEU C A 141 ASP N A 141 ASP CA A 141 ASP C 1.0 31.6 71.6 PHI 119 119 A 141 ASP N A 141 ASP CA A 141 ASP C A 142 GLY N 1.0 23.8 63.8 PSI 120 120 A 141 ASP C A 142 GLY N A 142 GLY CA A 142 GLY C 1.0 60.1 100.1 PHI 121 121 A 142 GLY N A 142 GLY CA A 142 GLY C A 143 ARG N 1.0 -25.3 28.5 PSI 122 122 A 142 GLY C A 143 ARG N A 143 ARG CA A 143 ARG C 1.0 -140.9 -69.4 PHI 123 123 A 143 ARG N A 143 ARG CA A 143 ARG C A 144 PRO N 1.0 86.5 167.0 PSI 124 124 A 144 PRO N A 144 PRO CA A 144 PRO C A 145 MET N 1.0 116.4 166.6 PSI 125 125 A 144 PRO C A 145 MET N A 145 MET CA A 145 MET C 1.0 -170.6 -33.9 PHI 126 126 A 145 MET N A 145 MET CA A 145 MET C A 146 ASP N 1.0 102.1 157.1 PSI 127 127 A 145 MET C A 146 ASP N A 146 ASP CA A 146 ASP C 1.0 -151.6 -77.1 PHI 128 128 A 146 ASP N A 146 ASP CA A 146 ASP C A 147 ILE N 1.0 107.8 174.2 PSI 129 129 A 146 ASP C A 147 ILE N A 147 ILE CA A 147 ILE C 1.0 -147.4 -106.1 PHI 130 130 A 147 ILE N A 147 ILE CA A 147 ILE C A 148 GLN N 1.0 125.7 165.7 PSI 131 131 A 147 ILE C A 148 GLN N A 148 GLN CA A 148 GLN C 1.0 -166.7 -100.5 PHI 132 132 A 148 GLN N A 148 GLN CA A 148 GLN C A 149 LEU N 1.0 116.0 164.6 PSI 133 133 A 148 GLN C A 149 LEU N A 149 LEU CA A 149 LEU C 1.0 -126.4 -69.5 PHI 134 134 A 149 LEU N A 149 LEU CA A 149 LEU C A 150 VAL N 1.0 109.0 151.8 PSI 135 135 A 149 LEU C A 150 VAL N A 150 VAL CA A 150 VAL C 1.0 -127.8 -76.4 PHI 136 136 A 150 VAL N A 150 VAL CA A 150 VAL C A 151 ALA N 1.0 105.4 146.5 PSI 137 137 A 150 VAL C A 151 ALA N A 151 ALA CA A 151 ALA C 1.0 -142.9 -88.1 PHI 138 138 A 151 ALA N A 151 ALA CA A 151 ALA C A 152 SER N 1.0 86.3 186.1 PSI 139 139 A 155 ASP C A 156 LEU N A 156 LEU CA A 156 LEU C 1.0 -89.0 -49.0 PHI 140 140 A 156 LEU N A 156 LEU CA A 156 LEU C A 157 GLU N 1.0 -76.0 16.0 PSI 141 141 A 156 LEU C A 157 GLU N A 157 GLU CA A 157 GLU C 1.0 -147.7 -26.2 PHI 142 142 A 157 GLU N A 157 GLU CA A 157 GLU C A 158 HIS N 1.0 -77.8 33.4 PSI 143 143 B 106 THR C B 107 SER N B 107 SER CA B 107 SER C 1.0 -153.0 -61.0 PHI 144 144 B 107 SER N B 107 SER CA B 107 SER C B 108 TRP N 1.0 81.0 193.0 PSI 145 145 B 108 TRP C B 109 ALA N B 109 ALA CA B 109 ALA C 1.0 -83.0 -43.0 PHI 146 146 B 109 ALA N B 109 ALA CA B 109 ALA C B 110 ASP N 1.0 -60.0 -20.0 PSI 147 147 B 109 ALA C B 110 ASP N B 110 ASP CA B 110 ASP C 1.0 -82.0 -42.0 PHI 148 148 B 110 ASP N B 110 ASP CA B 110 ASP C B 111 ARG N 1.0 -62.0 -22.0 PSI 149 149 B 110 ASP C B 111 ARG N B 111 ARG CA B 111 ARG C 1.0 -85.0 -45.0 PHI 150 150 B 111 ARG N B 111 ARG CA B 111 ARG C B 112 VAL N 1.0 -60.0 -20.0 PSI 151 151 B 111 ARG C B 112 VAL N B 112 VAL CA B 112 VAL C 1.0 -87.0 -47.0 PHI 152 152 B 112 VAL N B 112 VAL CA B 112 VAL C B 113 ARG N 1.0 -60.0 -20.0 PSI 153 153 B 112 VAL C B 113 ARG N B 113 ARG CA B 113 ARG C 1.0 -84.0 -44.0 PHI 154 154 B 113 ARG N B 113 ARG CA B 113 ARG C B 114 GLU N 1.0 -62.0 -22.0 PSI 155 155 B 113 ARG C B 114 GLU N B 114 GLU CA B 114 GLU C 1.0 -82.0 -42.0 PHI 156 156 B 114 GLU N B 114 GLU CA B 114 GLU C B 115 ALA N 1.0 -64.0 -24.0 PSI 157 157 B 114 GLU C B 115 ALA N B 115 ALA CA B 115 ALA C 1.0 -84.0 -44.0 PHI 158 158 B 115 ALA N B 115 ALA CA B 115 ALA C B 116 ALA N 1.0 -62.0 -22.0 PSI 159 159 B 115 ALA C B 116 ALA N B 116 ALA CA B 116 ALA C 1.0 -83.0 -43.0 PHI 160 160 B 116 ALA N B 116 ALA CA B 116 ALA C B 117 ALA N 1.0 -59.0 -19.0 PSI 161 161 B 116 ALA C B 117 ALA N B 117 ALA CA B 117 ALA C 1.0 -86.0 -46.0 PHI 162 162 B 117 ALA N B 117 ALA CA B 117 ALA C B 118 GLN N 1.0 -58.0 -10.0 PSI 163 163 B 117 ALA C B 118 GLN N B 118 GLN CA B 118 GLN C 1.0 -149.0 -57.0 PHI 164 164 B 118 GLN N B 118 GLN CA B 118 GLN C B 119 ARG N 1.0 -45.0 31.0 PSI stop_ save_