data_nef_c16813_2knb 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 -4 GLY start . false 2 A -3 PRO middle . false 3 A -2 LEU middle . . 4 A -1 GLY middle . false 5 A 0 SER middle . . 6 A 1 MET middle . . 7 A 2 ILE middle . . 8 A 3 VAL middle . . 9 A 4 PHE middle . . 10 A 5 VAL middle . . 11 A 6 ARG middle . . 12 A 7 PHE middle . . 13 A 8 ASN middle . . 14 A 9 SER middle . . 15 A 10 SER middle . . 16 A 11 TYR middle . . 17 A 12 GLY middle . false 18 A 13 PHE middle . . 19 A 14 PRO middle . false 20 A 15 VAL middle . . 21 A 16 GLU middle . . 22 A 17 VAL middle . . 23 A 18 ASP middle . . 24 A 19 SER middle . . 25 A 20 ASP middle . . 26 A 21 THR middle . . 27 A 22 SER middle . . 28 A 23 ILE middle . . 29 A 24 PHE middle . . 30 A 25 GLN middle . . 31 A 26 LEU middle . . 32 A 27 LYS middle . . 33 A 28 GLU middle . . 34 A 29 VAL middle . . 35 A 30 VAL middle . . 36 A 31 ALA middle . . 37 A 32 LYS middle . . 38 A 33 ARG middle . . 39 A 34 GLN middle . . 40 A 35 GLY middle . false 41 A 36 VAL middle . . 42 A 37 PRO middle . false 43 A 38 ALA middle . . 44 A 39 ASP middle . . 45 A 40 GLN middle . . 46 A 41 LEU middle . . 47 A 42 ARG middle . . 48 A 43 VAL middle . . 49 A 44 ILE middle . . 50 A 45 PHE middle . . 51 A 46 ALA middle . . 52 A 47 GLY middle . false 53 A 48 LYS middle . . 54 A 49 GLU middle . . 55 A 50 LEU middle . . 56 A 51 GLN middle . . 57 A 52 ASN middle . . 58 A 53 HIS middle . . 59 A 54 LEU middle . . 60 A 55 THR middle . . 61 A 56 VAL middle . . 62 A 57 GLN middle . . 63 A 58 ASN middle . . 64 A 59 CYS middle . . 65 A 60 ASP middle . . 66 A 61 LEU middle . . 67 A 62 GLU middle . . 68 A 63 GLN middle . . 69 A 64 GLN middle . . 70 A 65 SER middle . . 71 A 66 ILE middle . . 72 A 67 VAL middle . . 73 A 68 HIS middle . . 74 A 69 ILE middle . . 75 A 70 VAL middle . . 76 A 71 GLN middle . . 77 A 72 ARG middle . . 78 A 73 PRO middle . false 79 A 74 GLN middle . . 80 A 75 ARG middle . . 81 A 76 LYS end . . 82 B 282 GLY start . false 83 B 283 SER middle . . 84 B 284 ARG middle . . 85 B 285 ARG middle . . 86 B 286 ALA middle . . 87 B 287 SER middle . . 88 B 288 VAL middle . . 89 B 289 GLY middle . false 90 B 290 SER middle . . 91 B 291 ASP middle . . 92 B 292 GLN middle . . 93 B 293 PRO middle . false 94 B 294 CYS middle . . 95 B 295 CYS middle . . 96 B 296 ARG middle . . 97 B 297 ALA middle . . 98 B 298 LEU middle . . 99 B 299 TYR middle . . 100 B 300 ASP middle . . 101 B 301 PHE middle . . 102 B 302 GLU middle . . 103 B 303 PRO middle . false 104 B 304 GLU middle . . 105 B 305 ASN middle . . 106 B 306 GLU middle . . 107 B 307 GLY middle . false 108 B 308 GLU middle . . 109 B 309 LEU middle . . 110 B 310 GLY middle . false 111 B 311 PHE middle . . 112 B 312 LYS middle . . 113 B 313 GLU middle . . 114 B 314 GLY middle . false 115 B 315 ASP middle . . 116 B 316 ILE middle . . 117 B 317 ILE middle . . 118 B 318 THR middle . . 119 B 319 LEU middle . . 120 B 320 THR middle . . 121 B 321 ASN middle . . 122 B 322 GLN middle . . 123 B 323 ILE middle . . 124 B 324 ASP middle . . 125 B 325 GLU middle . . 126 B 326 ASN middle . . 127 B 327 TRP middle . . 128 B 328 TYR middle . . 129 B 329 GLU middle . . 130 B 330 GLY middle . false 131 B 331 MET middle . . 132 B 332 LEU middle . . 133 B 333 HIS middle . . 134 B 334 GLY middle . false 135 B 335 GLN middle . . 136 B 336 SER middle . . 137 B 337 GLY middle . false 138 B 338 PHE middle . . 139 B 339 PHE middle . . 140 B 340 PRO middle . false 141 B 341 ILE middle . . 142 B 342 ASN middle . . 143 B 343 TYR middle . . 144 B 344 VAL middle . . 145 B 345 GLU middle . . 146 B 346 ILE middle . . 147 B 347 LEU middle . . 148 B 348 VAL middle . . 149 B 349 ALA middle . . 150 B 350 LEU middle . . 151 B 351 PRO middle . false 152 B 352 HIS 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 1 MET H H 1 9.012 0.000 A 1 MET HA H 1 4.762 0.002 A 1 MET HBy H 1 1.881 0.001 A 1 MET HBx H 1 1.766 0.002 A 1 MET HGy H 1 2.221 0.000 A 1 MET HGx H 1 2.159 0.029 A 1 MET CA C 13 54.784 0.031 A 1 MET CB C 13 36.219 0.048 A 1 MET CG C 13 31.354 0.006 A 1 MET N N 15 121.344 0.000 A 2 ILE H H 1 8.144 0.000 A 2 ILE HA H 1 4.776 0.001 A 2 ILE HB H 1 1.691 0.001 A 2 ILE HG1x H 1 1.129 0.002 A 2 ILE HG1y H 1 1.493 0.001 A 2 ILE CA C 13 59.498 0.023 A 2 ILE CB C 13 39.199 0.028 A 2 ILE CD1 C 13 12.281 0.008 A 2 ILE CG1 C 13 27.670 0.035 A 2 ILE CG2 C 13 18.261 0.001 A 2 ILE N N 15 121.936 0.000 A 3 VAL H H 1 8.602 0.000 A 3 VAL HA H 1 4.456 0.002 A 3 VAL HB H 1 1.913 0.002 A 3 VAL HGx% H 1 0.606 0.002 A 3 VAL HGy% H 1 0.689 0.002 A 3 VAL CA C 13 59.314 0.049 A 3 VAL CB C 13 34.106 0.008 A 3 VAL CGx C 13 19.452 0.002 A 3 VAL CGy C 13 21.793 0.000 A 3 VAL N N 15 121.660 0.000 A 4 PHE H H 1 9.027 0.000 A 4 PHE HA H 1 4.655 0.002 A 4 PHE HBy H 1 2.788 0.002 A 4 PHE HBx H 1 2.724 0.001 A 4 PHE CA C 13 57.395 0.046 A 4 PHE CB C 13 40.799 0.072 A 4 PHE N N 15 124.169 0.000 A 5 VAL H H 1 8.335 0.000 A 5 VAL HA H 1 4.470 0.001 A 5 VAL HB H 1 1.092 0.002 A 5 VAL HGx% H 1 0.512 0.003 A 5 VAL CA C 13 60.336 0.031 A 5 VAL CB C 13 32.809 0.014 A 5 VAL CGx C 13 21.666 0.011 A 5 VAL N N 15 124.260 0.000 A 6 ARG H H 1 8.428 0.000 A 6 ARG HA H 1 4.530 0.004 A 6 ARG HBy H 1 1.589 0.005 A 6 ARG HBx H 1 1.268 0.004 A 6 ARG HDx H 1 2.928 0.004 A 6 ARG HDy H 1 3.072 0.003 A 6 ARG HGx H 1 1.406 0.004 A 6 ARG CA C 13 54.547 0.027 A 6 ARG CB C 13 30.861 0.076 A 6 ARG CD C 13 43.281 0.045 A 6 ARG CG C 13 26.674 0.021 A 6 ARG N N 15 124.911 0.000 A 7 PHE H H 1 9.114 0.000 A 7 PHE HA H 1 5.480 0.003 A 7 PHE HBy H 1 3.206 0.003 A 7 PHE HBx H 1 2.696 0.003 A 7 PHE CA C 13 55.958 0.026 A 7 PHE CB C 13 41.443 0.024 A 7 PHE N N 15 128.326 0.000 A 8 ASN H H 1 9.053 0.000 A 8 ASN HA H 1 4.394 0.004 A 8 ASN HBy H 1 2.972 0.003 A 8 ASN HBx H 1 2.472 0.002 A 8 ASN HD2x H 1 6.974 0.000 A 8 ASN HD2y H 1 6.974 0.000 A 8 ASN CA C 13 54.172 0.029 A 8 ASN CB C 13 36.771 0.009 A 8 ASN N N 15 127.105 0.000 A 8 ASN ND2 N 15 113.016 0.004 A 10 SER H H 1 8.336 0.000 A 10 SER HA H 1 4.540 0.003 A 10 SER HBx H 1 3.986 0.002 A 10 SER CA C 13 59.116 0.041 A 10 SER CB C 13 64.931 0.023 A 10 SER N N 15 116.314 0.000 A 11 TYR H H 1 8.034 0.000 A 11 TYR HA H 1 4.795 0.001 A 11 TYR HBx H 1 3.237 0.010 A 11 TYR CA C 13 57.891 0.022 A 11 TYR CB C 13 39.795 0.002 A 11 TYR N N 15 120.391 0.000 A 12 GLY H H 1 8.516 0.000 A 12 GLY HAx H 1 3.564 0.004 A 12 GLY HAy H 1 4.812 0.006 A 12 GLY CA C 13 45.375 0.025 A 12 GLY N N 15 111.745 0.000 A 13 PHE H H 1 8.066 0.000 A 13 PHE HA H 1 5.102 0.003 A 13 PHE HBx H 1 3.029 0.006 A 13 PHE HBy H 1 3.231 0.004 A 13 PHE CA C 13 53.783 0.024 A 13 PHE CB C 13 38.484 0.009 A 13 PHE N N 15 119.852 0.000 A 14 PRO HA H 1 4.973 0.001 A 14 PRO HBy H 1 1.958 0.008 A 14 PRO HBx H 1 1.810 0.005 A 14 PRO HDy H 1 3.969 0.005 A 14 PRO HDx H 1 3.847 0.005 A 14 PRO HGx H 1 2.173 0.004 A 14 PRO HGy H 1 2.249 0.003 A 14 PRO CA C 13 61.741 0.056 A 14 PRO CB C 13 32.730 0.021 A 14 PRO CD C 13 50.476 0.056 A 14 PRO CG C 13 27.024 0.008 A 15 VAL H H 1 9.069 0.000 A 15 VAL HA H 1 4.253 0.001 A 15 VAL HB H 1 1.756 0.001 A 15 VAL HGx% H 1 0.829 0.000 A 15 VAL CA C 13 61.409 0.054 A 15 VAL CB C 13 35.568 0.010 A 15 VAL CGx C 13 21.958 0.000 A 15 VAL N N 15 120.229 0.000 A 16 GLU H H 1 8.324 0.000 A 16 GLU HA H 1 4.984 0.002 A 16 GLU HBy H 1 1.955 0.003 A 16 GLU HBx H 1 1.837 0.002 A 16 GLU HGx H 1 2.125 0.003 A 16 GLU CA C 13 55.608 0.038 A 16 GLU CB C 13 30.643 0.027 A 16 GLU CG C 13 36.787 0.012 A 16 GLU N N 15 126.108 0.000 A 17 VAL H H 1 8.929 0.000 A 17 VAL HA H 1 4.736 0.001 A 17 VAL HB H 1 2.275 0.002 A 17 VAL HGx% H 1 0.667 0.002 A 17 VAL HGy% H 1 0.808 0.001 A 17 VAL CA C 13 58.819 0.031 A 17 VAL CB C 13 35.504 0.026 A 17 VAL CGx C 13 19.116 0.003 A 17 VAL CGy C 13 22.696 0.000 A 17 VAL N N 15 118.116 0.000 A 18 ASP H H 1 8.486 0.000 A 18 ASP HA H 1 5.045 0.001 A 18 ASP HBx H 1 2.759 0.001 A 18 ASP CA C 13 53.046 0.022 A 18 ASP CB C 13 43.588 0.006 A 18 ASP N N 15 119.124 0.000 A 19 SER H H 1 8.496 0.000 A 19 SER HA H 1 3.908 0.005 A 19 SER HBx H 1 3.863 0.001 A 19 SER CA C 13 62.109 0.045 A 19 SER CB C 13 63.276 0.018 A 19 SER N N 15 115.151 0.000 A 20 ASP H H 1 8.011 0.000 A 20 ASP HA H 1 4.786 0.001 A 20 ASP HBx H 1 2.740 0.002 A 20 ASP CA C 13 53.325 0.013 A 20 ASP CB C 13 40.915 0.000 A 20 ASP N N 15 115.768 0.000 A 21 THR H H 1 7.725 0.000 A 21 THR HA H 1 4.177 0.000 A 21 THR HB H 1 4.156 0.003 A 21 THR CA C 13 64.551 0.031 A 21 THR CB C 13 69.712 0.032 A 21 THR CG2 C 13 21.619 0.000 A 21 THR N N 15 119.799 0.000 A 22 SER H H 1 8.887 0.000 A 22 SER HA H 1 5.209 0.005 A 22 SER HBy H 1 4.445 0.003 A 22 SER HBx H 1 4.059 0.003 A 22 SER CA C 13 56.674 0.026 A 22 SER CB C 13 65.877 0.038 A 22 SER N N 15 122.875 0.000 A 23 ILE H H 1 8.815 0.000 A 23 ILE HA H 1 3.788 0.001 A 23 ILE HB H 1 2.521 0.003 A 23 ILE HG1x H 1 1.218 0.003 A 23 ILE HG1y H 1 1.583 0.004 A 23 ILE CA C 13 61.602 0.026 A 23 ILE CB C 13 33.882 0.017 A 23 ILE CD1 C 13 7.920 0.018 A 23 ILE CG1 C 13 27.127 0.028 A 23 ILE CG2 C 13 17.402 0.007 A 23 ILE N N 15 122.781 0.000 A 24 PHE H H 1 8.635 0.000 A 24 PHE HA H 1 4.015 0.003 A 24 PHE HBx H 1 2.981 0.004 A 24 PHE HBy H 1 3.102 0.002 A 24 PHE CA C 13 62.463 0.026 A 24 PHE CB C 13 39.464 0.002 A 24 PHE N N 15 120.335 0.000 A 25 GLN H H 1 8.007 0.000 A 25 GLN HA H 1 3.995 0.002 A 25 GLN HBx H 1 2.059 0.002 A 25 GLN HBy H 1 2.559 0.006 A 25 GLN HE2y H 1 7.556 0.000 A 25 GLN HE2x H 1 6.940 0.000 A 25 GLN HGx H 1 2.488 0.002 A 25 GLN HGy H 1 2.537 0.000 A 25 GLN CA C 13 58.804 0.021 A 25 GLN CB C 13 28.752 0.014 A 25 GLN CG C 13 35.006 0.003 A 25 GLN N N 15 119.154 0.000 A 25 GLN NE2 N 15 111.762 0.001 A 26 LEU H H 1 8.178 0.000 A 26 LEU HA H 1 3.973 0.004 A 26 LEU HBy H 1 2.167 0.004 A 26 LEU HBx H 1 1.297 0.003 A 26 LEU HDx% H 1 0.692 0.000 A 26 LEU HDy% H 1 0.696 0.003 A 26 LEU HG H 1 1.412 0.001 A 26 LEU CA C 13 58.360 0.028 A 26 LEU CB C 13 41.707 0.038 A 26 LEU CDx C 13 23.580 0.000 A 26 LEU CDy C 13 25.577 0.006 A 26 LEU CG C 13 27.303 0.033 A 26 LEU N N 15 121.925 0.000 A 27 LYS H H 1 8.300 0.000 A 27 LYS HA H 1 3.574 0.003 A 27 LYS HBx H 1 1.669 0.005 A 27 LYS HBy H 1 2.082 0.004 A 27 LYS HGx H 1 0.935 0.003 A 27 LYS CA C 13 60.938 0.021 A 27 LYS CB C 13 32.722 0.039 A 27 LYS CG C 13 27.417 0.000 A 27 LYS N N 15 117.385 0.000 A 28 GLU H H 1 7.893 0.000 A 28 GLU HA H 1 3.814 0.002 A 28 GLU HBx H 1 1.916 0.001 A 28 GLU HBy H 1 2.040 0.000 A 28 GLU HGx H 1 1.790 0.001 A 28 GLU HGy H 1 2.025 0.002 A 28 GLU CA C 13 60.144 0.039 A 28 GLU CB C 13 29.738 0.015 A 28 GLU CG C 13 37.079 0.013 A 28 GLU N N 15 118.278 0.000 A 29 VAL H H 1 7.895 0.000 A 29 VAL HA H 1 3.682 0.000 A 29 VAL HB H 1 2.299 0.001 A 29 VAL HGx% H 1 0.993 0.001 A 29 VAL HGy% H 1 1.137 0.004 A 29 VAL CA C 13 66.429 0.041 A 29 VAL CB C 13 31.994 0.000 A 29 VAL CGx C 13 21.021 0.007 A 29 VAL CGy C 13 22.312 0.003 A 29 VAL N N 15 119.638 0.000 A 30 VAL H H 1 7.864 0.000 A 30 VAL HA H 1 3.428 0.002 A 30 VAL HB H 1 2.217 0.002 A 30 VAL HGx% H 1 0.907 0.002 A 30 VAL HGy% H 1 0.734 0.003 A 30 VAL CA C 13 66.872 0.045 A 30 VAL CB C 13 31.757 0.005 A 30 VAL CGy C 13 22.139 0.000 A 30 VAL CGx C 13 21.662 0.000 A 30 VAL N N 15 121.293 0.000 A 31 ALA H H 1 9.139 0.000 A 31 ALA HA H 1 3.840 0.001 A 31 ALA HB% H 1 1.611 0.002 A 31 ALA CA C 13 55.731 0.029 A 31 ALA CB C 13 18.596 0.019 A 31 ALA N N 15 124.185 0.000 A 32 LYS H H 1 7.716 0.000 A 32 LYS HA H 1 4.030 0.001 A 32 LYS HBx H 1 1.888 0.002 A 32 LYS HDx H 1 1.685 0.002 A 32 LYS HEx H 1 2.968 0.001 A 32 LYS HGy H 1 1.570 0.002 A 32 LYS HGx H 1 1.448 0.001 A 32 LYS CA C 13 58.682 0.027 A 32 LYS CB C 13 32.344 0.022 A 32 LYS CD C 13 29.064 0.008 A 32 LYS CE C 13 41.943 0.015 A 32 LYS CG C 13 25.248 0.013 A 32 LYS N N 15 116.516 0.000 A 33 ARG H H 1 7.514 0.000 A 33 ARG HA H 1 3.906 0.001 A 33 ARG HBy H 1 1.746 0.002 A 33 ARG HBx H 1 1.642 0.002 A 33 ARG HDy H 1 2.611 0.002 A 33 ARG HDx H 1 2.350 0.001 A 33 ARG HGy H 1 1.381 0.004 A 33 ARG HGx H 1 1.369 0.000 A 33 ARG CA C 13 58.671 0.019 A 33 ARG CB C 13 30.492 0.013 A 33 ARG CD C 13 43.153 0.026 A 33 ARG CG C 13 26.933 0.018 A 33 ARG N N 15 119.333 0.000 A 34 GLN H H 1 8.154 0.000 A 34 GLN HA H 1 4.043 0.002 A 34 GLN HBy H 1 1.814 0.002 A 34 GLN HBx H 1 1.380 0.003 A 34 GLN HE2x H 1 6.178 0.000 A 34 GLN HE2y H 1 6.306 0.000 A 34 GLN HGx H 1 1.754 0.000 A 34 GLN CA C 13 54.445 0.009 A 34 GLN CB C 13 30.082 0.021 A 34 GLN CG C 13 33.970 0.000 A 34 GLN N N 15 112.221 0.000 A 34 GLN NE2 N 15 107.186 0.004 A 35 GLY H H 1 8.004 0.000 A 35 GLY HAx H 1 3.892 0.002 A 35 GLY CA C 13 46.894 0.003 A 35 GLY N N 15 110.363 0.000 A 36 VAL H H 1 7.595 0.000 A 36 VAL HA H 1 4.856 0.002 A 36 VAL HB H 1 2.040 0.003 A 36 VAL HGx% H 1 0.767 0.002 A 36 VAL HGy% H 1 0.938 0.006 A 36 VAL CA C 13 57.632 0.024 A 36 VAL CB C 13 33.814 0.020 A 36 VAL CGx C 13 19.755 0.006 A 36 VAL CGy C 13 21.380 0.009 A 36 VAL N N 15 113.861 0.000 A 37 PRO HA H 1 4.419 0.002 A 37 PRO HBx H 1 1.959 0.002 A 37 PRO HBy H 1 2.428 0.001 A 37 PRO HDy H 1 3.850 0.004 A 37 PRO HDx H 1 3.411 0.004 A 37 PRO HGy H 1 2.074 0.002 A 37 PRO HGx H 1 1.942 0.002 A 37 PRO CA C 13 62.607 0.010 A 37 PRO CB C 13 32.524 0.035 A 37 PRO CD C 13 51.060 0.048 A 37 PRO CG C 13 28.368 0.042 A 38 ALA H H 1 8.857 0.000 A 38 ALA HA H 1 3.747 0.003 A 38 ALA HB% H 1 1.251 0.002 A 38 ALA CA C 13 55.329 0.026 A 38 ALA CB C 13 18.379 0.008 A 38 ALA N N 15 126.434 0.000 A 39 ASP H H 1 8.453 0.000 A 39 ASP HA H 1 4.506 0.002 A 39 ASP HBx H 1 2.761 0.001 A 39 ASP HBy H 1 2.880 0.001 A 39 ASP CA C 13 55.544 0.022 A 39 ASP CB C 13 39.911 0.001 A 39 ASP N N 15 112.886 0.000 A 40 GLN H H 1 7.544 0.000 A 40 GLN HA H 1 4.544 0.003 A 40 GLN HBx H 1 1.918 0.002 A 40 GLN HBy H 1 2.467 0.001 A 40 GLN HE2y H 1 7.918 0.000 A 40 GLN HE2x H 1 6.928 0.000 A 40 GLN HGy H 1 2.117 0.000 A 40 GLN HGx H 1 2.017 0.000 A 40 GLN CA C 13 55.563 0.018 A 40 GLN CB C 13 29.515 0.011 A 40 GLN N N 15 116.647 0.000 A 40 GLN NE2 N 15 111.192 0.007 A 41 LEU H H 1 7.584 0.000 A 41 LEU HA H 1 4.991 0.003 A 41 LEU HBy H 1 2.002 0.010 A 41 LEU HBx H 1 1.040 0.003 A 41 LEU HDx% H 1 0.733 0.001 A 41 LEU HDy% H 1 0.830 0.010 A 41 LEU HG H 1 2.000 0.007 A 41 LEU CA C 13 54.170 0.025 A 41 LEU CB C 13 42.694 0.023 A 41 LEU CDy C 13 22.915 0.000 A 41 LEU CDx C 13 21.306 0.000 A 41 LEU CG C 13 25.776 0.031 A 41 LEU N N 15 117.479 0.000 A 42 ARG H H 1 8.961 0.000 A 42 ARG HA H 1 4.562 0.004 A 42 ARG HBy H 1 1.824 0.005 A 42 ARG HBx H 1 1.542 0.006 A 42 ARG HDy H 1 3.455 0.004 A 42 ARG HDx H 1 3.237 0.000 A 42 ARG HGy H 1 1.722 0.000 A 42 ARG HGx H 1 1.596 0.000 A 42 ARG CA C 13 52.799 0.048 A 42 ARG CB C 13 31.119 0.034 A 42 ARG CD C 13 41.643 0.024 A 42 ARG N N 15 120.136 0.000 A 43 VAL H H 1 8.529 0.000 A 43 VAL HA H 1 4.657 0.002 A 43 VAL HB H 1 2.008 0.004 A 43 VAL HGx% H 1 0.829 0.006 A 43 VAL CA C 13 61.252 0.026 A 43 VAL CB C 13 32.428 0.018 A 43 VAL CGx C 13 26.209 0.000 A 43 VAL N N 15 122.680 0.000 A 44 ILE H H 1 9.714 0.000 A 44 ILE HA H 1 4.781 0.004 A 44 ILE HB H 1 1.485 0.004 A 44 ILE HG1x H 1 0.767 0.003 A 44 ILE HG1y H 1 1.110 0.003 A 44 ILE CA C 13 60.265 0.068 A 44 ILE CB C 13 40.941 0.057 A 44 ILE CD1 C 13 13.396 0.022 A 44 ILE CG1 C 13 28.085 0.041 A 44 ILE CG2 C 13 17.792 0.023 A 44 ILE N N 15 129.634 0.000 A 45 PHE H H 1 9.146 0.000 A 45 PHE HA H 1 5.227 0.002 A 45 PHE HBx H 1 2.879 0.002 A 45 PHE HBy H 1 3.062 0.000 A 45 PHE CA C 13 56.410 0.009 A 45 PHE CB C 13 43.627 0.003 A 45 PHE N N 15 126.544 0.000 A 46 ALA H H 1 8.966 0.000 A 46 ALA HA H 1 3.742 0.001 A 46 ALA HB% H 1 0.918 0.002 A 46 ALA CA C 13 52.531 0.042 A 46 ALA CB C 13 16.362 0.031 A 46 ALA N N 15 133.067 0.000 A 47 GLY H H 1 8.510 0.000 A 47 GLY HAy H 1 4.229 0.005 A 47 GLY HAx H 1 3.604 0.005 A 47 GLY CA C 13 45.653 0.022 A 47 GLY N N 15 102.791 0.000 A 48 LYS H H 1 7.772 0.000 A 48 LYS HA H 1 4.763 0.004 A 48 LYS HBy H 1 1.917 0.002 A 48 LYS HBx H 1 1.863 0.002 A 48 LYS HDx H 1 1.759 0.002 A 48 LYS HEx H 1 3.076 0.003 A 48 LYS HGx H 1 1.499 0.002 A 48 LYS CA C 13 54.299 0.018 A 48 LYS CB C 13 35.468 0.013 A 48 LYS CD C 13 28.880 0.009 A 48 LYS CE C 13 42.147 0.016 A 48 LYS CG C 13 24.336 0.014 A 48 LYS N N 15 120.557 0.000 A 49 GLU H H 1 8.709 0.000 A 49 GLU HA H 1 4.903 0.008 A 49 GLU HBx H 1 1.927 0.004 A 49 GLU HGy H 1 2.444 0.004 A 49 GLU HGx H 1 2.113 0.003 A 49 GLU CA C 13 56.199 0.020 A 49 GLU CB C 13 29.727 0.013 A 49 GLU CG C 13 37.619 0.019 A 49 GLU N N 15 122.866 0.000 A 50 LEU H H 1 9.096 0.000 A 50 LEU HA H 1 4.650 0.005 A 50 LEU HBx H 1 1.433 0.011 A 50 LEU HBy H 1 1.723 0.007 A 50 LEU HDx% H 1 0.942 0.000 A 50 LEU HDy% H 1 1.029 0.001 A 50 LEU HG H 1 1.882 0.004 A 50 LEU CA C 13 53.358 0.022 A 50 LEU CB C 13 42.585 0.032 A 50 LEU CDy C 13 25.585 0.000 A 50 LEU CDx C 13 22.214 0.000 A 50 LEU CG C 13 26.627 0.019 A 50 LEU N N 15 127.093 0.000 A 51 GLN H H 1 7.552 0.000 A 51 GLN HA H 1 4.323 0.005 A 51 GLN HBy H 1 2.370 0.002 A 51 GLN HBx H 1 1.779 0.006 A 51 GLN HE2y H 1 7.650 0.000 A 51 GLN HE2x H 1 6.914 0.000 A 51 GLN HGx H 1 2.606 0.002 A 51 GLN CA C 13 56.248 0.053 A 51 GLN CB C 13 30.464 0.011 A 51 GLN CG C 13 34.549 0.004 A 51 GLN N N 15 121.496 0.000 A 51 GLN NE2 N 15 111.516 0.001 A 52 ASN H H 1 8.541 0.000 A 52 ASN HA H 1 4.414 0.003 A 52 ASN HBy H 1 3.000 0.003 A 52 ASN HBx H 1 2.843 0.002 A 52 ASN HD2x H 1 7.420 0.000 A 52 ASN HD2y H 1 7.420 0.000 A 52 ASN CA C 13 55.398 0.034 A 52 ASN CB C 13 39.896 0.030 A 52 ASN N N 15 115.904 0.000 A 52 ASN ND2 N 15 111.312 0.003 A 53 HIS H H 1 7.910 0.000 A 53 HIS HA H 1 4.669 0.001 A 53 HIS HBy H 1 3.341 0.002 A 53 HIS HBx H 1 2.988 0.002 A 53 HIS CA C 13 56.733 0.020 A 53 HIS CB C 13 30.464 0.027 A 53 HIS N N 15 111.617 0.000 A 54 LEU H H 1 7.040 0.000 A 54 LEU HA H 1 4.308 0.002 A 54 LEU HBy H 1 1.660 0.007 A 54 LEU HBx H 1 1.362 0.004 A 54 LEU HDx% H 1 0.744 0.000 A 54 LEU HG H 1 0.965 0.000 A 54 LEU CA C 13 54.387 0.027 A 54 LEU CB C 13 42.523 0.022 A 54 LEU CG C 13 26.565 0.023 A 54 LEU N N 15 123.024 0.000 A 55 THR H H 1 8.188 0.000 A 55 THR HA H 1 5.079 0.001 A 55 THR HB H 1 4.488 0.003 A 55 THR CA C 13 59.395 0.029 A 55 THR CB C 13 71.816 0.093 A 55 THR CG2 C 13 21.974 0.006 A 55 THR N N 15 108.357 0.000 A 56 VAL H H 1 8.511 0.000 A 56 VAL HA H 1 3.416 0.001 A 56 VAL HB H 1 2.024 0.008 A 56 VAL HGx% H 1 1.106 0.000 A 56 VAL HGy% H 1 0.874 0.001 A 56 VAL CA C 13 67.015 0.051 A 56 VAL CB C 13 31.369 0.007 A 56 VAL CGy C 13 23.906 0.000 A 56 VAL CGx C 13 20.093 0.000 A 56 VAL N N 15 120.472 0.000 A 57 GLN H H 1 8.327 0.000 A 57 GLN HA H 1 4.233 0.001 A 57 GLN HBx H 1 1.994 0.001 A 57 GLN HBy H 1 2.213 0.002 A 57 GLN HE2y H 1 7.430 0.000 A 57 GLN HE2x H 1 6.809 0.000 A 57 GLN HGx H 1 2.353 0.003 A 57 GLN CA C 13 58.406 0.026 A 57 GLN CB C 13 28.749 0.008 A 57 GLN CG C 13 33.382 0.026 A 57 GLN N N 15 117.340 0.000 A 57 GLN NE2 N 15 111.828 0.003 A 58 ASN H H 1 7.955 0.000 A 58 ASN HA H 1 4.791 0.003 A 58 ASN HBy H 1 3.065 0.000 A 58 ASN HBx H 1 3.008 0.007 A 58 ASN HD2x H 1 7.033 0.000 A 58 ASN HD2y H 1 7.033 0.000 A 58 ASN CA C 13 54.556 0.029 A 58 ASN CB C 13 39.462 0.071 A 58 ASN N N 15 117.602 0.000 A 58 ASN ND2 N 15 110.964 0.002 A 59 CYS H H 1 7.617 0.000 A 59 CYS HA H 1 4.464 0.002 A 59 CYS HBx H 1 2.803 0.000 A 59 CYS CA C 13 59.930 0.050 A 59 CYS CB C 13 28.316 0.000 A 59 CYS N N 15 115.714 0.000 A 60 ASP H H 1 8.022 0.000 A 60 ASP HA H 1 4.404 0.003 A 60 ASP HBx H 1 2.814 0.002 A 60 ASP HBy H 1 3.065 0.001 A 60 ASP CA C 13 55.444 0.068 A 60 ASP CB C 13 39.103 0.005 A 60 ASP N N 15 115.990 0.000 A 61 LEU H H 1 7.081 0.000 A 61 LEU HA H 1 3.895 0.002 A 61 LEU HBx H 1 0.978 0.002 A 61 LEU HBy H 1 1.407 0.006 A 61 LEU HDx% H 1 -0.106 0.002 A 61 LEU HDy% H 1 0.445 0.003 A 61 LEU HG H 1 1.088 0.002 A 61 LEU CA C 13 55.276 0.025 A 61 LEU CB C 13 42.460 0.022 A 61 LEU CDx C 13 22.825 0.000 A 61 LEU CDy C 13 25.319 0.015 A 61 LEU CG C 13 27.302 0.053 A 61 LEU N N 15 116.972 0.000 A 62 GLU H H 1 8.280 0.000 A 62 GLU HA H 1 4.504 0.002 A 62 GLU HBy H 1 2.108 0.001 A 62 GLU HBx H 1 1.906 0.003 A 62 GLU HGy H 1 2.257 0.001 A 62 GLU HGx H 1 2.204 0.002 A 62 GLU CA C 13 54.391 0.021 A 62 GLU CB C 13 32.808 0.014 A 62 GLU CG C 13 36.135 0.000 A 62 GLU N N 15 119.344 0.000 A 63 GLN H H 1 8.433 0.000 A 63 GLN HA H 1 4.244 0.001 A 63 GLN HBx H 1 2.101 0.002 A 63 GLN HE2y H 1 7.486 0.000 A 63 GLN HE2x H 1 6.764 0.000 A 63 GLN HGx H 1 2.540 0.003 A 63 GLN CA C 13 57.875 0.016 A 63 GLN CB C 13 28.128 0.001 A 63 GLN CG C 13 32.769 0.000 A 63 GLN N N 15 119.106 0.000 A 63 GLN NE2 N 15 111.097 0.005 A 64 GLN H H 1 9.197 0.000 A 64 GLN HA H 1 3.696 0.002 A 64 GLN HBx H 1 2.366 0.001 A 64 GLN HE2y H 1 7.641 0.000 A 64 GLN HE2x H 1 6.914 0.000 A 64 GLN HGx H 1 2.220 0.001 A 64 GLN CA C 13 57.578 0.015 A 64 GLN CB C 13 26.434 0.006 A 64 GLN CG C 13 34.523 0.000 A 64 GLN N N 15 116.115 0.000 A 64 GLN NE2 N 15 112.370 0.002 A 65 SER H H 1 8.272 0.000 A 65 SER HA H 1 4.442 0.003 A 65 SER HBy H 1 3.915 0.005 A 65 SER HBx H 1 3.744 0.002 A 65 SER CA C 13 61.325 0.028 A 65 SER CB C 13 64.729 0.028 A 65 SER N N 15 117.216 0.000 A 66 ILE H H 1 8.509 0.000 A 66 ILE HA H 1 4.930 0.001 A 66 ILE HB H 1 1.849 0.002 A 66 ILE HG1x H 1 1.081 0.001 A 66 ILE HG1y H 1 1.734 0.002 A 66 ILE CA C 13 60.297 0.041 A 66 ILE CB C 13 39.123 0.009 A 66 ILE CD1 C 13 13.439 0.001 A 66 ILE CG1 C 13 28.006 0.006 A 66 ILE CG2 C 13 17.427 0.003 A 66 ILE N N 15 122.587 0.000 A 67 VAL H H 1 9.000 0.000 A 67 VAL HA H 1 4.663 0.001 A 67 VAL HB H 1 1.850 0.002 A 67 VAL HGx% H 1 0.740 0.000 A 67 VAL HGy% H 1 0.708 0.001 A 67 VAL CA C 13 60.300 0.040 A 67 VAL CB C 13 34.087 0.013 A 67 VAL CGy C 13 22.312 0.000 A 67 VAL CGx C 13 21.421 0.000 A 67 VAL N N 15 124.542 0.000 A 68 HIS H H 1 8.881 0.000 A 68 HIS HA H 1 5.059 0.002 A 68 HIS HBx H 1 2.749 0.003 A 68 HIS HBy H 1 3.182 0.009 A 68 HIS CA C 13 55.882 0.011 A 68 HIS CB C 13 32.144 0.048 A 68 HIS N N 15 125.363 0.000 A 69 ILE H H 1 8.956 0.000 A 69 ILE HA H 1 5.292 0.002 A 69 ILE HB H 1 1.707 0.005 A 69 ILE HG1y H 1 1.655 0.002 A 69 ILE HG1x H 1 1.227 0.006 A 69 ILE CA C 13 60.179 0.023 A 69 ILE CB C 13 39.104 0.053 A 69 ILE CD1 C 13 13.945 0.008 A 69 ILE CG1 C 13 28.314 0.082 A 69 ILE CG2 C 13 19.083 0.013 A 69 ILE N N 15 122.855 0.000 A 70 VAL H H 1 8.539 0.000 A 70 VAL HA H 1 4.640 0.003 A 70 VAL HB H 1 1.467 0.002 A 70 VAL HGx% H 1 0.360 0.003 A 70 VAL HGy% H 1 0.270 0.005 A 70 VAL CA C 13 58.304 0.032 A 70 VAL CB C 13 35.702 0.013 A 70 VAL CGy C 13 21.678 0.021 A 70 VAL CGx C 13 20.311 0.014 A 70 VAL N N 15 123.500 0.000 A 71 GLN H H 1 8.330 0.000 A 71 GLN HA H 1 4.756 0.002 A 71 GLN HBy H 1 2.060 0.003 A 71 GLN HBx H 1 1.783 0.002 A 71 GLN HE2y H 1 7.666 0.000 A 71 GLN HE2x H 1 7.033 0.000 A 71 GLN HGx H 1 2.217 0.003 A 71 GLN CA C 13 55.206 0.019 A 71 GLN CB C 13 30.537 0.022 A 71 GLN CG C 13 34.325 0.001 A 71 GLN N N 15 123.554 0.000 A 71 GLN NE2 N 15 109.635 0.002 A 72 ARG H H 1 9.372 0.000 A 72 ARG HA H 1 4.852 0.004 A 72 ARG HBy H 1 2.124 0.003 A 72 ARG HBx H 1 1.962 0.005 A 72 ARG HDy H 1 3.205 0.001 A 72 ARG HDx H 1 3.167 0.003 A 72 ARG HGy H 1 1.797 0.000 A 72 ARG HGx H 1 1.656 0.000 A 72 ARG CA C 13 53.117 0.048 A 72 ARG CB C 13 32.126 0.055 A 72 ARG CD C 13 43.434 0.006 A 72 ARG N N 15 128.989 0.000 A 73 PRO HA H 1 4.690 0.003 A 73 PRO HBy H 1 2.302 0.007 A 73 PRO HBx H 1 2.133 0.005 A 73 PRO HDx H 1 3.293 0.005 A 73 PRO HDy H 1 3.737 0.007 A 73 PRO HGy H 1 1.616 0.007 A 73 PRO HGx H 1 1.563 0.008 A 73 PRO CA C 13 62.484 0.024 A 73 PRO CB C 13 32.356 0.046 A 73 PRO CD C 13 50.452 0.021 A 73 PRO CG C 13 26.526 0.019 A 74 GLN H H 1 8.481 0.000 A 74 GLN HA H 1 4.641 0.003 A 74 GLN HBy H 1 2.117 0.001 A 74 GLN HBx H 1 2.015 0.003 A 74 GLN HE2x H 1 7.147 0.000 A 74 GLN HGx H 1 2.419 0.012 A 74 GLN HGy H 1 2.455 0.004 A 74 GLN CA C 13 55.482 0.020 A 74 GLN CB C 13 30.797 0.015 A 74 GLN CG C 13 33.765 0.007 A 74 GLN N N 15 117.916 0.000 A 74 GLN NE2 N 15 110.212 0.000 A 75 ARG H H 1 8.834 0.000 A 75 ARG HA H 1 4.117 0.006 A 75 ARG HBy H 1 1.384 0.003 A 75 ARG HBx H 1 0.991 0.004 A 75 ARG HDx H 1 1.709 0.004 A 75 ARG HGx H 1 0.746 0.003 A 75 ARG CA C 13 56.403 0.014 A 75 ARG CB C 13 30.023 0.015 A 75 ARG CD C 13 41.958 0.036 A 75 ARG CG C 13 26.601 0.019 A 75 ARG N N 15 125.538 0.000 A 76 LYS H H 1 7.951 0.000 A 76 LYS HA H 1 4.079 0.001 A 76 LYS HBx H 1 1.590 0.001 A 76 LYS HBy H 1 1.720 0.000 A 76 LYS CA C 13 57.597 0.024 A 76 LYS CB C 13 29.112 0.025 A 76 LYS N N 15 128.524 0.000 B 291 ASP H H 1 8.392 0.000 B 291 ASP HA H 1 4.624 0.007 B 291 ASP HBx H 1 2.656 0.000 B 291 ASP CA C 13 54.161 0.076 B 291 ASP CB C 13 41.188 0.029 B 291 ASP N N 15 121.308 0.000 B 292 GLN H H 1 7.977 0.000 B 292 GLN HA H 1 4.621 0.000 B 292 GLN HE2y H 1 7.588 0.000 B 292 GLN HE2x H 1 6.901 0.000 B 292 GLN CA C 13 53.993 0.000 B 292 GLN N N 15 121.180 0.000 B 292 GLN NE2 N 15 113.605 0.004 B 293 PRO HA H 1 4.257 0.002 B 293 PRO HBx H 1 2.007 0.002 B 293 PRO HBy H 1 2.157 0.059 B 293 PRO CA C 13 63.406 0.041 B 293 PRO CB C 13 32.158 0.028 B 294 CYS H H 1 9.418 0.000 B 294 CYS HA H 1 5.560 0.001 B 294 CYS HBx H 1 2.602 0.001 B 294 CYS HBy H 1 3.466 0.002 B 294 CYS CA C 13 57.122 0.034 B 294 CYS CB C 13 30.311 0.057 B 294 CYS N N 15 117.162 0.000 B 295 CYS H H 1 9.229 0.000 B 295 CYS HA H 1 5.290 0.002 B 295 CYS HBy H 1 2.671 0.001 B 295 CYS HBx H 1 2.573 0.002 B 295 CYS CA C 13 55.063 0.039 B 295 CYS CB C 13 33.489 0.030 B 295 CYS N N 15 116.042 0.000 B 296 ARG H H 1 9.086 0.000 B 296 ARG HA H 1 5.232 0.001 B 296 ARG HBy H 1 1.747 0.003 B 296 ARG HBx H 1 1.426 0.004 B 296 ARG HDy H 1 3.180 0.001 B 296 ARG HDx H 1 3.093 0.001 B 296 ARG HGx H 1 1.341 0.004 B 296 ARG CA C 13 53.262 0.040 B 296 ARG CB C 13 34.045 0.029 B 296 ARG CD C 13 43.462 0.029 B 296 ARG CG C 13 26.973 0.041 B 296 ARG N N 15 121.100 0.000 B 297 ALA H H 1 8.857 0.000 B 297 ALA HA H 1 4.175 0.001 B 297 ALA HB% H 1 1.435 0.002 B 297 ALA CA C 13 52.913 0.039 B 297 ALA CB C 13 21.793 0.043 B 297 ALA N N 15 128.773 0.000 B 298 LEU H H 1 9.322 0.000 B 298 LEU HA H 1 3.949 0.004 B 298 LEU HBx H 1 0.365 0.010 B 298 LEU HBy H 1 0.872 0.005 B 298 LEU HDy% H 1 0.608 0.001 B 298 LEU HG H 1 1.283 0.001 B 298 LEU CA C 13 55.610 0.000 B 298 LEU CB C 13 43.008 0.016 B 298 LEU CDy C 13 22.120 0.009 B 298 LEU CG C 13 26.768 0.000 B 298 LEU N N 15 126.998 0.000 B 299 TYR H H 1 7.248 0.000 B 299 TYR HA H 1 4.827 0.005 B 299 TYR HBx H 1 2.621 0.008 B 299 TYR HBy H 1 3.325 0.005 B 299 TYR HDx H 1 6.724 0.024 B 299 TYR HEx H 1 6.425 0.003 B 299 TYR CA C 13 53.372 0.075 B 299 TYR CB C 13 42.738 0.033 B 299 TYR CDx C 13 134.747 0.038 B 299 TYR CEx C 13 117.842 0.025 B 299 TYR N N 15 113.001 0.000 B 300 ASP H H 1 8.666 0.000 B 300 ASP HA H 1 4.668 0.001 B 300 ASP HBy H 1 2.781 0.000 B 300 ASP HBx H 1 2.755 0.030 B 300 ASP CA C 13 55.050 0.112 B 300 ASP CB C 13 41.581 0.069 B 300 ASP N N 15 118.572 0.000 B 301 PHE H H 1 8.389 0.000 B 301 PHE HA H 1 4.572 0.005 B 301 PHE HBy H 1 2.152 0.001 B 301 PHE HBx H 1 1.017 0.002 B 301 PHE HDx H 1 6.696 0.002 B 301 PHE HEx H 1 6.988 0.000 B 301 PHE HZ H 1 7.077 0.000 B 301 PHE CA C 13 56.716 0.065 B 301 PHE CB C 13 41.992 0.039 B 301 PHE CDx C 13 132.550 0.000 B 301 PHE CEx C 13 130.210 0.000 B 301 PHE CZ C 13 130.704 0.000 B 301 PHE N N 15 123.399 0.000 B 302 GLU H H 1 8.051 0.000 B 302 GLU HA H 1 4.642 0.005 B 302 GLU HBy H 1 2.128 0.000 B 302 GLU HBx H 1 1.771 0.000 B 302 GLU HGy H 1 2.052 0.000 B 302 GLU CA C 13 51.583 0.050 B 302 GLU CB C 13 29.099 0.000 B 302 GLU CG C 13 35.512 0.000 B 302 GLU N N 15 127.729 0.000 B 303 PRO HA H 1 4.078 0.003 B 303 PRO HBx H 1 1.891 0.005 B 303 PRO HBy H 1 2.026 0.001 B 303 PRO HDx H 1 3.586 0.004 B 303 PRO HDy H 1 3.785 0.003 B 303 PRO HGx H 1 1.667 0.002 B 303 PRO HGy H 1 2.031 0.002 B 303 PRO CA C 13 62.629 0.044 B 303 PRO CB C 13 32.995 0.011 B 303 PRO CD C 13 50.989 0.027 B 303 PRO CG C 13 27.375 0.016 B 304 GLU H H 1 8.908 0.000 B 304 GLU HA H 1 4.306 0.007 B 304 GLU HBy H 1 2.110 0.004 B 304 GLU HBx H 1 1.826 0.004 B 304 GLU HGx H 1 2.219 0.000 B 304 GLU CA C 13 56.083 0.020 B 304 GLU CB C 13 32.659 0.078 B 304 GLU CG C 13 36.570 0.000 B 304 GLU N N 15 122.026 0.000 B 305 ASN H H 1 7.450 0.000 B 305 ASN HA H 1 4.973 0.005 B 305 ASN HBx H 1 2.403 0.001 B 305 ASN HBy H 1 2.722 0.003 B 305 ASN HD2x H 1 7.347 0.000 B 305 ASN HD2y H 1 7.347 0.000 B 305 ASN CA C 13 51.452 0.046 B 305 ASN CB C 13 42.975 0.083 B 305 ASN N N 15 115.509 0.000 B 305 ASN ND2 N 15 117.739 0.001 B 306 GLU H H 1 8.877 0.000 B 306 GLU HA H 1 4.080 0.002 B 306 GLU HBx H 1 2.017 0.000 B 306 GLU HBy H 1 2.305 0.000 B 306 GLU HGx H 1 2.303 0.002 B 306 GLU CA C 13 58.163 0.056 B 306 GLU CG C 13 36.124 0.000 B 306 GLU N N 15 122.776 0.000 B 307 GLY H H 1 8.799 0.000 B 307 GLY HAx H 1 3.691 0.001 B 307 GLY HAy H 1 4.197 0.003 B 307 GLY CA C 13 44.834 0.038 B 307 GLY N N 15 113.043 0.000 B 308 GLU H H 1 7.247 0.000 B 308 GLU HA H 1 4.677 0.003 B 308 GLU HBx H 1 2.173 0.000 B 308 GLU HBy H 1 2.269 0.000 B 308 GLU HGx H 1 2.489 0.000 B 308 GLU CA C 13 55.684 0.041 B 308 GLU CB C 13 31.051 0.000 B 308 GLU N N 15 119.104 0.000 B 309 LEU H H 1 8.812 0.000 B 309 LEU HA H 1 4.429 0.002 B 309 LEU HBx H 1 0.892 0.005 B 309 LEU HBy H 1 1.979 0.005 B 309 LEU HDy% H 1 0.724 0.004 B 309 LEU HG H 1 1.692 0.003 B 309 LEU CA C 13 53.534 0.037 B 309 LEU CB C 13 45.024 0.033 B 309 LEU CG C 13 26.699 0.053 B 309 LEU N N 15 127.204 0.000 B 310 GLY H H 1 8.021 0.000 B 310 GLY HAx H 1 3.410 0.004 B 310 GLY HAy H 1 4.421 0.001 B 310 GLY CA C 13 44.876 0.039 B 310 GLY N N 15 108.893 0.000 B 311 PHE H H 1 8.160 0.000 B 311 PHE HA H 1 4.769 0.001 B 311 PHE HBy H 1 3.253 0.004 B 311 PHE HBx H 1 3.243 0.010 B 311 PHE HDx H 1 6.700 0.000 B 311 PHE HZ H 1 6.634 0.002 B 311 PHE CA C 13 56.312 0.041 B 311 PHE CB C 13 40.370 0.012 B 311 PHE CZ C 13 127.875 0.062 B 311 PHE N N 15 114.069 0.000 B 312 LYS H H 1 9.476 0.000 B 312 LYS HA H 1 5.014 0.002 B 312 LYS HBx H 1 1.811 0.002 B 312 LYS HDx H 1 1.653 0.002 B 312 LYS HDy H 1 1.688 0.012 B 312 LYS HEx H 1 3.027 0.000 B 312 LYS HEy H 1 3.027 0.000 B 312 LYS HGx H 1 1.465 0.004 B 312 LYS CA C 13 53.070 0.040 B 312 LYS CB C 13 35.274 0.045 B 312 LYS CD C 13 28.393 0.031 B 312 LYS CE C 13 42.240 0.032 B 312 LYS CG C 13 24.507 0.018 B 312 LYS N N 15 121.011 0.000 B 313 GLU H H 1 9.125 0.000 B 313 GLU HA H 1 3.200 0.001 B 313 GLU HBx H 1 1.790 0.006 B 313 GLU HBy H 1 1.882 0.006 B 313 GLU HGx H 1 1.868 0.002 B 313 GLU HGy H 1 2.101 0.001 B 313 GLU CA C 13 58.569 0.039 B 313 GLU CB C 13 29.596 0.048 B 313 GLU CG C 13 35.226 0.014 B 313 GLU N N 15 120.599 0.000 B 314 GLY H H 1 8.717 0.000 B 314 GLY HAx H 1 3.465 0.001 B 314 GLY HAy H 1 4.384 0.001 B 314 GLY CA C 13 44.962 0.025 B 314 GLY N N 15 115.089 0.000 B 315 ASP H H 1 8.422 0.000 B 315 ASP HA H 1 4.514 0.002 B 315 ASP HBy H 1 2.756 0.006 B 315 ASP HBx H 1 2.266 0.001 B 315 ASP CA C 13 56.117 0.063 B 315 ASP CB C 13 41.562 0.041 B 315 ASP N N 15 122.628 0.000 B 316 ILE H H 1 8.096 0.000 B 316 ILE HA H 1 4.815 0.002 B 316 ILE HB H 1 1.889 0.003 B 316 ILE HG1x H 1 1.299 0.000 B 316 ILE HG1y H 1 1.533 0.000 B 316 ILE HG2% H 1 0.730 0.000 B 316 ILE CA C 13 58.794 0.028 B 316 ILE CB C 13 36.777 0.000 B 316 ILE N N 15 119.975 0.000 B 317 ILE H H 1 8.617 0.000 B 317 ILE HA H 1 3.984 0.002 B 317 ILE HB H 1 1.291 0.002 B 317 ILE HD1% H 1 -0.629 0.001 B 317 ILE HG1y H 1 0.857 0.002 B 317 ILE HG1x H 1 0.285 0.003 B 317 ILE HG2% H 1 0.436 0.003 B 317 ILE CA C 13 60.757 0.012 B 317 ILE CB C 13 41.192 0.057 B 317 ILE CD1 C 13 14.521 0.000 B 317 ILE CG1 C 13 29.276 0.020 B 317 ILE CG2 C 13 18.785 0.000 B 317 ILE N N 15 130.271 0.000 B 318 THR H H 1 8.566 0.000 B 318 THR HA H 1 4.375 0.003 B 318 THR HB H 1 4.151 0.001 B 318 THR HG2% H 1 1.232 0.002 B 318 THR CA C 13 63.415 0.045 B 318 THR CB C 13 69.606 0.042 B 318 THR CG2 C 13 21.498 0.000 B 318 THR N N 15 124.306 0.000 B 319 LEU H H 1 7.949 0.000 B 319 LEU HA H 1 4.657 0.001 B 319 LEU HBx H 1 1.238 0.003 B 319 LEU HBy H 1 1.490 0.002 B 319 LEU HDx% H 1 0.675 0.000 B 319 LEU HG H 1 1.363 0.000 B 319 LEU CA C 13 54.659 0.037 B 319 LEU CB C 13 44.901 0.021 B 319 LEU N N 15 128.116 0.000 B 320 THR H H 1 9.126 0.000 B 320 THR HA H 1 4.509 0.001 B 320 THR HB H 1 4.126 0.005 B 320 THR HG2% H 1 1.083 0.001 B 320 THR CA C 13 62.428 0.040 B 320 THR CB C 13 69.410 0.090 B 320 THR CG2 C 13 22.333 0.000 B 320 THR N N 15 112.596 0.000 B 321 ASN H H 1 7.900 0.000 B 321 ASN HA H 1 4.867 0.001 B 321 ASN HBy H 1 2.909 0.001 B 321 ASN HBx H 1 2.521 0.000 B 321 ASN HD2x H 1 6.880 0.000 B 321 ASN HD2y H 1 6.880 0.000 B 321 ASN CA C 13 53.419 0.024 B 321 ASN CB C 13 42.098 0.073 B 321 ASN N N 15 116.970 0.000 B 321 ASN ND2 N 15 113.798 0.010 B 322 GLN H H 1 8.668 0.000 B 322 GLN HA H 1 4.526 0.004 B 322 GLN HBy H 1 1.946 0.009 B 322 GLN HBx H 1 1.779 0.005 B 322 GLN HE2y H 1 6.952 0.000 B 322 GLN HE2x H 1 6.634 0.000 B 322 GLN HGx H 1 2.147 0.004 B 322 GLN CA C 13 56.117 0.062 B 322 GLN CB C 13 29.031 0.048 B 322 GLN CG C 13 33.773 0.000 B 322 GLN N N 15 123.467 0.000 B 322 GLN NE2 N 15 109.804 0.002 B 323 ILE H H 1 8.266 0.000 B 323 ILE HA H 1 3.874 0.002 B 323 ILE HB H 1 1.663 0.000 B 323 ILE HD1% H 1 0.542 0.003 B 323 ILE HG1y H 1 1.192 0.000 B 323 ILE HG1x H 1 0.990 0.000 B 323 ILE HG2% H 1 0.698 0.023 B 323 ILE CA C 13 62.740 0.043 B 323 ILE CB C 13 38.326 0.037 B 323 ILE CD1 C 13 12.441 0.000 B 323 ILE CG2 C 13 17.031 0.000 B 323 ILE N N 15 127.306 0.000 B 324 ASP H H 1 8.034 0.000 B 324 ASP HA H 1 4.476 0.002 B 324 ASP HBy H 1 3.113 0.002 B 324 ASP HBx H 1 3.049 0.000 B 324 ASP CA C 13 53.466 0.047 B 324 ASP CB C 13 40.166 0.025 B 324 ASP N N 15 118.628 0.000 B 325 GLU H H 1 8.919 0.000 B 325 GLU HA H 1 3.935 0.001 B 325 GLU HBx H 1 1.993 0.017 B 325 GLU HBy H 1 2.030 0.004 B 325 GLU HGx H 1 2.268 0.000 B 325 GLU CA C 13 58.876 0.047 B 325 GLU CB C 13 29.428 0.113 B 325 GLU N N 15 114.205 0.000 B 326 ASN H H 1 8.891 0.000 B 326 ASN HA H 1 4.894 0.001 B 326 ASN HBy H 1 2.755 0.003 B 326 ASN HBx H 1 2.147 0.002 B 326 ASN HD2x H 1 7.049 0.000 B 326 ASN HD2y H 1 7.049 0.000 B 326 ASN CA C 13 54.004 0.061 B 326 ASN CB C 13 42.671 0.043 B 326 ASN N N 15 114.769 0.000 B 326 ASN ND2 N 15 116.177 0.002 B 327 TRP H H 1 8.107 0.000 B 327 TRP HA H 1 4.958 0.001 B 327 TRP HBx H 1 2.790 0.011 B 327 TRP HBy H 1 2.833 0.005 B 327 TRP HD1 H 1 7.964 0.008 B 327 TRP HE1 H 1 10.061 0.000 B 327 TRP HE3 H 1 7.282 0.270 B 327 TRP HH2 H 1 7.383 0.000 B 327 TRP HZ2 H 1 7.318 0.000 B 327 TRP HZ3 H 1 6.991 0.000 B 327 TRP CA C 13 57.451 0.048 B 327 TRP CB C 13 32.111 0.019 B 327 TRP CD1 C 13 130.176 0.015 B 327 TRP CE3 C 13 118.747 0.000 B 327 TRP CH2 C 13 125.447 0.000 B 327 TRP CZ2 C 13 115.092 0.000 B 327 TRP CZ3 C 13 121.090 0.000 B 327 TRP N N 15 121.332 0.000 B 327 TRP NE1 N 15 128.729 0.000 B 328 TYR H H 1 8.704 0.000 B 328 TYR HA H 1 4.997 0.003 B 328 TYR HBy H 1 2.677 0.004 B 328 TYR HBx H 1 1.732 0.003 B 328 TYR HDy H 1 6.950 0.007 B 328 TYR HDx H 1 6.949 0.000 B 328 TYR HEy H 1 6.687 0.002 B 328 TYR HEx H 1 6.674 0.000 B 328 TYR CA C 13 55.783 0.046 B 328 TYR CB C 13 42.716 0.043 B 328 TYR CDx C 13 132.445 0.118 B 328 TYR CEx C 13 118.736 0.075 B 328 TYR N N 15 121.621 0.000 B 329 GLU H H 1 8.765 0.000 B 329 GLU HA H 1 5.148 0.002 B 329 GLU HBy H 1 2.052 0.010 B 329 GLU HBx H 1 1.870 0.002 B 329 GLU HGy H 1 2.199 0.005 B 329 GLU HGx H 1 2.083 0.001 B 329 GLU CA C 13 54.773 0.036 B 329 GLU CB C 13 34.038 0.030 B 329 GLU CG C 13 37.361 0.028 B 329 GLU N N 15 117.619 0.000 B 330 GLY H H 1 8.976 0.000 B 330 GLY HAx H 1 4.244 0.004 B 330 GLY HAy H 1 5.010 0.002 B 330 GLY CA C 13 46.449 0.024 B 330 GLY N N 15 111.634 0.000 B 331 MET H H 1 8.849 0.000 B 331 MET HA H 1 5.609 0.002 B 331 MET HBy H 1 1.919 0.001 B 331 MET HBx H 1 1.803 0.002 B 331 MET HE% H 1 1.994 0.001 B 331 MET HGx H 1 2.370 0.002 B 331 MET HGy H 1 2.388 0.004 B 331 MET CA C 13 54.330 0.038 B 331 MET CB C 13 37.460 0.038 B 331 MET CE C 13 16.632 0.025 B 331 MET CG C 13 31.664 0.042 B 331 MET N N 15 116.990 0.000 B 332 LEU H H 1 8.814 0.000 B 332 LEU HA H 1 4.541 0.003 B 332 LEU HBx H 1 1.302 0.003 B 332 LEU HBy H 1 1.752 0.002 B 332 LEU HDx% H 1 0.624 0.002 B 332 LEU HDy% H 1 0.990 0.004 B 332 LEU HG H 1 0.986 0.003 B 332 LEU CA C 13 54.796 0.025 B 332 LEU CB C 13 46.207 0.030 B 332 LEU CDx C 13 23.291 0.016 B 332 LEU CG C 13 27.104 0.029 B 332 LEU N N 15 123.875 0.000 B 333 HIS H H 1 9.678 0.000 B 333 HIS HA H 1 4.491 0.001 B 333 HIS HBy H 1 3.356 0.003 B 333 HIS HBx H 1 3.253 0.000 B 333 HIS HD2 H 1 6.711 0.000 B 333 HIS HE1 H 1 7.427 0.422 B 333 HIS CA C 13 56.221 0.072 B 333 HIS CB C 13 28.089 0.019 B 333 HIS CE1 C 13 138.499 0.000 B 333 HIS N N 15 125.635 0.000 B 334 GLY H H 1 8.793 0.000 B 334 GLY HAx H 1 3.716 0.001 B 334 GLY HAy H 1 4.239 0.002 B 334 GLY CA C 13 45.624 0.033 B 334 GLY N N 15 104.801 0.000 B 335 GLN H H 1 7.942 0.000 B 335 GLN HA H 1 4.693 0.003 B 335 GLN HBx H 1 2.125 0.004 B 335 GLN HBy H 1 2.225 0.001 B 335 GLN HE2y H 1 7.623 0.000 B 335 GLN HE2x H 1 6.956 0.000 B 335 GLN HGx H 1 2.406 0.001 B 335 GLN HGy H 1 2.472 0.005 B 335 GLN CA C 13 54.267 0.080 B 335 GLN CB C 13 31.027 0.033 B 335 GLN CG C 13 33.972 0.015 B 335 GLN N N 15 121.001 0.000 B 335 GLN NE2 N 15 112.484 0.003 B 336 SER H H 1 8.589 0.000 B 336 SER HA H 1 5.786 0.002 B 336 SER HBx H 1 3.770 0.000 B 336 SER HBy H 1 3.814 0.003 B 336 SER CA C 13 56.536 0.040 B 336 SER CB C 13 66.145 0.069 B 336 SER N N 15 116.373 0.000 B 337 GLY H H 1 8.570 0.000 B 337 GLY HAx H 1 4.092 0.002 B 337 GLY CA C 13 45.935 0.020 B 337 GLY N N 15 109.175 0.000 B 338 PHE H H 1 8.132 0.000 B 338 PHE HA H 1 6.382 0.002 B 338 PHE HBx H 1 3.047 0.004 B 338 PHE HBy H 1 3.165 0.001 B 338 PHE HDx H 1 7.021 0.005 B 338 PHE HDy H 1 7.057 0.000 B 338 PHE HEx H 1 7.309 0.002 B 338 PHE CA C 13 54.624 0.044 B 338 PHE CB C 13 42.500 0.020 B 338 PHE CDx C 13 131.429 0.108 B 338 PHE CEx C 13 131.614 0.063 B 338 PHE N N 15 116.151 0.000 B 339 PHE H H 1 8.996 0.000 B 339 PHE HA H 1 5.206 0.002 B 339 PHE HBy H 1 3.556 0.002 B 339 PHE HBx H 1 2.515 0.003 B 339 PHE HDx H 1 7.005 0.000 B 339 PHE HEx H 1 6.951 0.000 B 339 PHE CA C 13 55.727 0.030 B 339 PHE CB C 13 38.603 0.027 B 339 PHE CDx C 13 133.238 0.006 B 339 PHE N N 15 115.933 0.000 B 340 PRO HA H 1 4.377 0.003 B 340 PRO HBx H 1 1.348 0.001 B 340 PRO HBy H 1 1.811 0.002 B 340 PRO HDy H 1 2.931 0.002 B 340 PRO HDx H 1 2.376 0.002 B 340 PRO HGy H 1 1.461 0.010 B 340 PRO HGx H 1 0.990 0.000 B 340 PRO CA C 13 61.253 0.059 B 340 PRO CB C 13 31.280 0.069 B 340 PRO CD C 13 50.873 0.045 B 340 PRO CG C 13 27.191 0.000 B 341 ILE H H 1 7.765 0.000 B 341 ILE HA H 1 3.760 0.003 B 341 ILE HB H 1 1.489 0.002 B 341 ILE HD1% H 1 0.441 0.001 B 341 ILE HG1y H 1 1.028 0.005 B 341 ILE HG1x H 1 0.444 0.001 B 341 ILE HG2% H 1 0.695 0.004 B 341 ILE CA C 13 62.867 0.033 B 341 ILE CB C 13 38.758 0.028 B 341 ILE CD1 C 13 13.513 0.000 B 341 ILE CG2 C 13 17.069 0.017 B 341 ILE N N 15 121.577 0.000 B 342 ASN H H 1 8.206 0.000 B 342 ASN HA H 1 4.690 0.001 B 342 ASN HBy H 1 2.841 0.001 B 342 ASN HBx H 1 2.667 0.004 B 342 ASN HD2x H 1 7.276 0.000 B 342 ASN HD2y H 1 7.276 0.000 B 342 ASN CA C 13 54.658 0.047 B 342 ASN CB C 13 37.929 0.001 B 342 ASN N N 15 113.484 0.000 B 342 ASN ND2 N 15 113.713 0.007 B 343 TYR H H 1 7.760 0.000 B 343 TYR HA H 1 4.688 0.002 B 343 TYR HBy H 1 3.658 0.000 B 343 TYR HBx H 1 3.184 0.003 B 343 TYR HDy H 1 7.113 0.004 B 343 TYR HDx H 1 6.323 0.000 B 343 TYR HEx H 1 6.925 0.005 B 343 TYR CA C 13 59.638 0.070 B 343 TYR CB C 13 39.908 0.056 B 343 TYR CDx C 13 132.663 0.068 B 343 TYR CEx C 13 119.010 0.000 B 343 TYR N N 15 116.420 0.000 B 344 VAL H H 1 7.699 0.000 B 344 VAL HA H 1 5.236 0.002 B 344 VAL HB H 1 1.611 0.001 B 344 VAL HGy% H 1 1.058 0.002 B 344 VAL CA C 13 58.910 0.051 B 344 VAL CB C 13 36.581 0.033 B 344 VAL CGy C 13 17.856 0.005 B 344 VAL N N 15 109.504 0.000 B 345 GLU H H 1 8.827 0.000 B 345 GLU HA H 1 4.826 0.003 B 345 GLU HBx H 1 1.900 0.002 B 345 GLU HGy H 1 2.176 0.000 B 345 GLU HGx H 1 2.095 0.002 B 345 GLU CA C 13 53.250 0.017 B 345 GLU CB C 13 32.718 0.062 B 345 GLU CG C 13 35.666 0.041 B 345 GLU N N 15 118.449 0.000 B 346 ILE H H 1 9.102 0.000 B 346 ILE HA H 1 3.592 0.002 B 346 ILE HB H 1 1.944 0.002 B 346 ILE HD1% H 1 0.697 0.002 B 346 ILE HG1y H 1 1.530 0.001 B 346 ILE HG1x H 1 1.278 0.003 B 346 ILE HG2% H 1 0.749 0.003 B 346 ILE CA C 13 62.277 0.060 B 346 ILE CB C 13 36.803 0.035 B 346 ILE CD1 C 13 11.465 0.023 B 346 ILE CG2 C 13 17.052 0.010 B 346 ILE N N 15 126.993 0.000 B 347 LEU H H 1 8.169 0.000 B 347 LEU HA H 1 4.542 0.002 B 347 LEU HBy H 1 2.032 0.001 B 347 LEU HBx H 1 1.396 0.007 B 347 LEU HDx% H 1 0.784 0.004 B 347 LEU HG H 1 1.566 0.004 B 347 LEU CA C 13 56.040 0.056 B 347 LEU CB C 13 42.237 0.050 B 347 LEU CDx C 13 25.795 0.029 B 347 LEU CG C 13 27.241 0.045 B 347 LEU N N 15 128.234 0.000 B 348 VAL H H 1 7.605 0.000 B 348 VAL HA H 1 4.069 0.001 B 348 VAL HB H 1 2.236 0.001 B 348 VAL HGy% H 1 0.806 0.001 B 348 VAL CA C 13 62.145 0.033 B 348 VAL CB C 13 34.484 0.030 B 348 VAL CGy C 13 20.727 0.005 B 348 VAL N N 15 120.997 0.000 B 349 ALA H H 1 8.326 0.000 B 349 ALA HA H 1 4.063 0.001 B 349 ALA HB% H 1 1.386 0.004 B 349 ALA CA C 13 52.017 0.052 B 349 ALA CB C 13 19.627 0.012 B 349 ALA N N 15 127.179 0.000 B 350 LEU H H 1 8.064 0.000 B 350 LEU HA H 1 4.271 0.003 B 350 LEU HBy H 1 1.648 0.000 B 350 LEU HBx H 1 1.594 0.003 B 350 LEU HDx% H 1 0.784 0.000 B 350 LEU HDy% H 1 0.935 0.005 B 350 LEU HG H 1 2.022 0.000 B 350 LEU CA C 13 53.688 0.046 B 350 LEU CB C 13 41.868 0.040 B 350 LEU N N 15 119.661 0.000 B 351 PRO HA H 1 4.432 0.001 B 351 PRO HBy H 1 2.262 0.000 B 351 PRO HBx H 1 1.963 0.000 B 351 PRO HDy H 1 3.806 0.002 B 351 PRO HDx H 1 3.677 0.003 B 351 PRO HGx H 1 2.040 0.000 B 351 PRO CA C 13 63.413 0.048 B 351 PRO CB C 13 31.886 0.013 B 351 PRO CD C 13 50.629 0.060 B 352 HIS H H 1 7.990 0.000 B 352 HIS HA H 1 4.467 0.002 B 352 HIS HBx H 1 3.120 0.000 B 352 HIS HBy H 1 3.205 0.000 B 352 HIS HD2 H 1 8.306 0.000 B 352 HIS HE1 H 1 8.406 0.000 B 352 HIS CA C 13 57.098 0.048 B 352 HIS CD2 C 13 137.338 0.000 B 352 HIS CE1 C 13 136.450 0.000 B 352 HIS N N 15 123.633 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 13 PHE H A 5 VAL H 1.0 2.0 4.0 2 2 A 7 PHE H A 6 ARG HA 1.0 1.5 3.0 3 3 A 8 ASN H A 7 PHE HA 1.0 1.5 3.0 4 4 A 8 ASN H A 8 ASN HA 1.0 1.5 3.0 5 5 A 10 SER H A 9 SER HBx 1.0 2.0 4.0 6 5 A 10 SER H A 9 SER HBy 1.0 2.0 4.0 7 6 A 11 TYR H A 9 SER HBx 1.0 2.0 4.0 8 6 A 9 SER HBy A 11 TYR H 1.0 2.0 4.0 9 7 A 10 SER H A 9 SER HA 1.0 1.5 3.0 10 8 A 10 SER H A 10 SER HA 1.0 2.0 4.0 11 9 A 11 TYR H A 10 SER HA 1.0 2.0 4.0 12 10 A 10 SER H A 10 SER HBx 1.0 2.0 4.0 13 10 A 10 SER H A 10 SER HBy 1.0 2.0 4.0 14 11 A 11 TYR H A 10 SER HBx 1.0 2.0 4.0 15 11 A 11 TYR H A 10 SER HBy 1.0 2.0 4.0 16 12 A 10 SER H A 11 TYR H 1.0 2.0 4.0 17 13 A 12 GLY H A 11 TYR HA 1.0 2.0 4.0 18 14 A 11 TYR H A 11 TYR HBx 1.0 2.0 4.0 19 14 A 11 TYR H A 11 TYR HBy 1.0 2.0 4.0 20 15 A 12 GLY H A 12 GLY HAx 1.0 2.0 4.0 21 15 A 12 GLY H A 12 GLY HAy 1.0 2.0 4.0 22 16 A 13 PHE H A 12 GLY HAx 1.0 1.5 3.0 23 16 A 13 PHE H A 12 GLY HAy 1.0 1.5 3.0 24 17 A 71 GLN H A 70 VAL HA 1.0 1.5 3.0 25 18 A 72 ARG H A 71 GLN HA 1.0 1.5 3.0 26 19 A 71 GLN H A 71 GLN HBy 1.0 2.0 4.0 27 19 A 71 GLN H A 71 GLN HBx 1.0 2.0 4.0 28 20 A 74 GLN H A 73 PRO HA 1.0 1.5 3.0 29 21 A 75 ARG H A 74 GLN HA 1.0 1.5 3.0 30 22 A 76 LYS H A 75 ARG HA 1.0 1.5 3.0 31 23 A 7 PHE HA A 69 ILE H 1.0 2.0 5.0 32 24 A 13 PHE H A 5 VAL H 1.0 2.0 5.0 33 25 A 72 ARG H A 41 LEU HA 1.0 2.0 5.0 34 26 A 6 ARG HA A 12 GLY HAx 1.0 2.0 4.0 35 26 A 6 ARG HA A 12 GLY HAy 1.0 2.0 4.0 36 27 A 8 ASN HA A 70 VAL HGx% 1.0 2.0 4.0 37 28 A 13 PHE HA A 14 PRO HDy 1.0 1.5 3.0 38 29 A 71 GLN HA A 41 LEU HA 1.0 2.0 5.0 39 30 A 71 GLN HA A 41 LEU HDx% 1.0 2.0 5.0 40 31 A 72 ARG HA A 73 PRO HDx 1.0 1.5 3.0 41 32 A 68 HIS HA A 6 ARG HBy 1.0 2.0 5.0 42 32 A 6 ARG HBx A 68 HIS HA 1.0 2.0 5.0 43 33 A 7 PHE HA A 69 ILE HB 1.0 2.0 5.0 44 34 A 5 VAL HGx% A 7 PHE HBy 1.0 2.0 5.0 45 34 A 7 PHE HBx A 5 VAL HGx% 1.0 2.0 5.0 46 35 A 8 ASN HA A 70 VAL HGy% 1.0 2.0 5.0 47 36 A 10 SER HBx A 11 TYR HBx 1.0 2.0 5.0 48 36 A 10 SER HBy A 11 TYR HBx 1.0 2.0 5.0 49 36 A 11 TYR HBy A 10 SER HBx 1.0 2.0 5.0 50 36 A 10 SER HBy A 11 TYR HBy 1.0 2.0 5.0 51 37 A 41 LEU HDx% A 71 GLN HBy 1.0 2.0 5.0 52 37 A 71 GLN HBx A 41 LEU HDx% 1.0 2.0 5.0 53 38 A 72 ARG HA A 73 PRO HBy 1.0 2.0 5.0 54 38 A 72 ARG HA A 73 PRO HBx 1.0 2.0 5.0 55 39 A 8 ASN HA B 342 ASN HBy 1.0 1.0 4.0 56 39 A 8 ASN HA B 342 ASN HBx 1.0 1.0 4.0 57 40 A 44 ILE HD11 B 299 TYR HBx 1.0 1.0 4.0 58 40 A 44 ILE HD11 B 299 TYR HBy 1.0 1.0 4.0 59 41 A 44 ILE HD11 B 299 TYR HD% 1.0 1.0 4.0 60 42 A 44 ILE HD11 B 343 TYR HD% 1.0 1.0 4.0 61 43 A 44 ILE HD11 B 343 TYR HE% 1.0 1.0 4.0 62 44 A 44 ILE HG21 B 299 TYR HBx 1.0 1.0 4.0 63 44 B 299 TYR HBy A 44 ILE HG21 1.0 1.0 4.0 64 45 B 299 TYR HD% A 44 ILE HG21 1.0 1.0 4.0 65 46 B 299 TYR HA A 47 GLY HAy 1.0 1.0 4.0 66 46 A 47 GLY HAx B 299 TYR HA 1.0 1.0 4.0 67 47 B 299 TYR HD% A 47 GLY HAy 1.0 1.0 4.0 68 47 B 299 TYR HD% A 47 GLY HAx 1.0 1.0 4.0 69 48 B 299 TYR HE% A 68 HIS HBx 1.0 1.0 4.0 70 48 A 68 HIS HBy B 299 TYR HE% 1.0 1.0 4.0 71 49 A 70 VAL HGy% B 342 ASN HBy 1.0 1.0 4.0 72 49 A 70 VAL HGx% B 342 ASN HBy 1.0 1.0 4.0 73 49 A 70 VAL HGy% B 342 ASN HBx 1.0 1.0 4.0 74 49 A 70 VAL HGx% B 342 ASN HBx 1.0 1.0 4.0 75 50 A 70 VAL HGy% B 343 TYR HA 1.0 1.0 4.0 76 50 A 70 VAL HGx% B 343 TYR HA 1.0 1.0 4.0 77 51 A 70 VAL HGy% B 343 TYR HD% 1.0 1.0 4.0 78 51 A 70 VAL HGx% B 343 TYR HD% 1.0 1.0 4.0 79 52 A 70 VAL HGy% B 343 TYR HE% 1.0 1.0 4.0 80 52 A 70 VAL HGx% B 343 TYR HE% 1.0 1.0 4.0 81 53 A 72 ARG HA B 343 TYR HE% 1.0 1.0 4.0 82 54 A 72 ARG HA B 340 PRO HBx 1.0 1.0 4.0 83 54 A 72 ARG HA B 340 PRO HBy 1.0 1.0 4.0 84 55 B 343 TYR HE% A 72 ARG HBy 1.0 1.0 4.0 85 55 B 343 TYR HE% A 72 ARG HBx 1.0 1.0 4.0 86 56 B 343 TYR HE% A 72 ARG HDy 1.0 1.0 5.0 87 56 B 343 TYR HE% A 72 ARG HDx 1.0 1.0 5.0 88 57 B 327 TRP HZ2 A 73 PRO HBy 1.0 1.0 4.0 89 57 A 73 PRO HBx B 327 TRP HZ2 1.0 1.0 4.0 90 58 B 327 TRP HZ2 A 73 PRO HGy 1.0 1.0 4.0 91 58 B 327 TRP HZ2 A 73 PRO HGx 1.0 1.0 4.0 92 59 A 73 PRO HDx B 340 PRO HBx 1.0 1.0 4.0 93 59 A 73 PRO HDy B 340 PRO HBx 1.0 1.0 4.0 94 59 B 340 PRO HBy A 73 PRO HDy 1.0 1.0 4.0 95 59 B 340 PRO HBy A 73 PRO HDx 1.0 1.0 4.0 96 60 A 73 PRO HDx B 340 PRO HGy 1.0 1.0 4.0 97 60 A 73 PRO HDy B 340 PRO HGy 1.0 1.0 4.0 98 60 B 340 PRO HGx A 73 PRO HDy 1.0 1.0 4.0 99 60 A 73 PRO HDx B 340 PRO HGx 1.0 1.0 4.0 100 61 B 343 TYR HE% A 73 PRO HDy 1.0 1.0 4.0 101 61 B 343 TYR HE% A 73 PRO HDx 1.0 1.0 4.0 102 62 A 74 GLN HA B 327 TRP HZ2 1.0 1.0 4.0 103 63 B 323 ILE HD1% A 75 ARG HDx 1.0 1.0 4.0 104 63 A 75 ARG HDy B 323 ILE HD1% 1.0 1.0 4.0 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 1 MET C A 2 ILE N A 2 ILE CA A 2 ILE C 1.0 -124.0 -84.0 PHI 2 2 A 2 ILE C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -145.0 -105.0 PHI 3 3 A 3 VAL C A 4 PHE N A 4 PHE CA A 4 PHE C 1.0 -136.0 -84.0 PHI 4 4 A 4 PHE C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -130.0 -80.0 PHI 5 5 A 5 VAL C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -127.0 -87.0 PHI 6 6 A 6 ARG C A 7 PHE N A 7 PHE CA A 7 PHE C 1.0 -141.0 -91.0 PHI 7 7 A 7 PHE C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 35.0 85.0 PHI 8 8 A 9 SER C A 10 SER N A 10 SER CA A 10 SER C 1.0 -99.0 -59.0 PHI 9 9 A 10 SER C A 11 TYR N A 11 TYR CA A 11 TYR C 1.0 -161.0 -101.0 PHI 10 10 A 12 GLY C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -117.0 -77.0 PHI 11 11 A 13 PHE C A 14 PRO N A 14 PRO CA A 14 PRO C 1.0 -85.0 -45.0 PHI 12 12 A 14 PRO C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -144.0 -96.0 PHI 13 13 A 15 VAL C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -127.0 -67.0 PHI 14 14 A 16 GLU C A 17 VAL N A 17 VAL CA A 17 VAL C 1.0 -147.0 -111.0 PHI 15 15 A 17 VAL C A 18 ASP N A 18 ASP CA A 18 ASP C 1.0 -152.0 -52.0 PHI 16 16 A 18 ASP C A 19 SER N A 19 SER CA A 19 SER C 1.0 -68.0 -52.0 PHI 17 17 A 19 SER C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -122.0 -74.0 PHI 18 18 A 20 ASP C A 21 THR N A 21 THR CA A 21 THR C 1.0 -108.0 -48.0 PHI 19 19 A 21 THR C A 22 SER N A 22 SER CA A 22 SER C 1.0 -153.0 -77.0 PHI 20 20 A 22 SER C A 23 ILE N A 23 ILE CA A 23 ILE C 1.0 -93.0 -49.0 PHI 21 21 A 23 ILE C A 24 PHE N A 24 PHE CA A 24 PHE C 1.0 -80.0 -40.0 PHI 22 22 A 24 PHE C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -84.0 -44.0 PHI 23 23 A 25 GLN C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -82.0 -42.0 PHI 24 24 A 26 LEU C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -82.0 -42.0 PHI 25 25 A 27 LYS C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -86.0 -46.0 PHI 26 26 A 28 GLU C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -87.0 -47.0 PHI 27 27 A 29 VAL C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -84.0 -44.0 PHI 28 28 A 30 VAL C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -83.0 -43.0 PHI 29 29 A 31 ALA C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -85.0 -45.0 PHI 30 30 A 32 LYS C A 33 ARG N A 33 ARG CA A 33 ARG C 1.0 -84.0 -44.0 PHI 31 31 A 33 ARG C A 34 GLN N A 34 GLN CA A 34 GLN C 1.0 -135.0 -67.0 PHI 32 32 A 34 GLN C A 35 GLY N A 35 GLY CA A 35 GLY C 1.0 54.0 102.0 PHI 33 33 A 35 GLY C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -164.0 -68.0 PHI 34 34 A 36 VAL C A 37 PRO N A 37 PRO CA A 37 PRO C 1.0 -87.0 -47.0 PHI 35 35 A 37 PRO C A 38 ALA N A 38 ALA CA A 38 ALA C 1.0 -79.0 -39.0 PHI 36 36 A 38 ALA C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -96.0 -48.0 PHI 37 37 A 39 ASP C A 40 GLN N A 40 GLN CA A 40 GLN C 1.0 -117.0 -65.0 PHI 38 38 A 40 GLN C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -139.0 -57.0 PHI 39 39 A 41 LEU C A 42 ARG N A 42 ARG CA A 42 ARG C 1.0 -168.0 -84.0 PHI 40 40 A 42 ARG C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -139.0 -83.0 PHI 41 41 A 43 VAL C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -137.0 -97.0 PHI 42 42 A 44 ILE C A 45 PHE N A 45 PHE CA A 45 PHE C 1.0 -152.0 -100.0 PHI 43 43 A 45 PHE C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 33.0 73.0 PHI 44 44 A 46 ALA C A 47 GLY N A 47 GLY CA A 47 GLY C 1.0 57.0 97.0 PHI 45 45 A 47 GLY C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -151.0 -83.0 PHI 46 46 A 48 LYS C A 49 GLU N A 49 GLU CA A 49 GLU C 1.0 -148.0 -36.0 PHI 47 47 A 49 GLU C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -125.0 -69.0 PHI 48 48 A 50 LEU C A 51 GLN N A 51 GLN CA A 51 GLN C 1.0 -134.0 -14.0 PHI 49 49 A 51 GLN C A 52 ASN N A 52 ASN CA A 52 ASN C 1.0 -88.0 -28.0 PHI 50 50 A 52 ASN C A 53 HIS N A 53 HIS CA A 53 HIS C 1.0 -122.0 -58.0 PHI 51 51 A 53 HIS C A 54 LEU N A 54 LEU CA A 54 LEU C 1.0 -142.0 -30.0 PHI 52 52 A 54 LEU C A 55 THR N A 55 THR CA A 55 THR C 1.0 -164.0 -48.0 PHI 53 53 A 55 THR C A 56 VAL N A 56 VAL CA A 56 VAL C 1.0 -83.0 -43.0 PHI 54 54 A 64 GLN C A 65 SER N A 65 SER CA A 65 SER C 1.0 -116.0 -40.0 PHI 55 55 A 65 SER C A 66 ILE N A 66 ILE CA A 66 ILE C 1.0 -145.0 -61.0 PHI 56 56 A 66 ILE C A 67 VAL N A 67 VAL CA A 67 VAL C 1.0 -139.0 -89.0 PHI 57 57 A 67 VAL C A 68 HIS N A 68 HIS CA A 68 HIS C 1.0 -133.0 -77.0 PHI 58 58 A 68 HIS C A 69 ILE N A 69 ILE CA A 69 ILE C 1.0 -142.0 -78.0 PHI 59 59 A 69 ILE C A 70 VAL N A 70 VAL CA A 70 VAL C 1.0 -148.0 -98.0 PHI 60 60 A 70 VAL C A 71 GLN N A 71 GLN CA A 71 GLN C 1.0 -157.0 -65.0 PHI 61 61 A 71 GLN C A 72 ARG N A 72 ARG CA A 72 ARG C 1.0 -160.0 -84.0 PHI 62 62 A 72 ARG C A 73 PRO N A 73 PRO CA A 73 PRO C 1.0 -106.0 -26.0 PHI 63 63 A 73 PRO C A 74 GLN N A 74 GLN CA A 74 GLN C 1.0 -137.0 -57.0 PHI 64 64 A 74 GLN C A 75 ARG N A 75 ARG CA A 75 ARG C 1.0 -110.0 -46.0 PHI 65 65 A 2 ILE N A 2 ILE CA A 2 ILE C A 3 VAL N 1.0 116.0 156.0 PSI 66 66 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 PHE N 1.0 118.0 178.0 PSI 67 67 A 4 PHE N A 4 PHE CA A 4 PHE C A 5 VAL N 1.0 103.0 143.0 PSI 68 68 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 ARG N 1.0 110.0 150.0 PSI 69 69 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 PHE N 1.0 102.0 142.0 PSI 70 70 A 7 PHE N A 7 PHE CA A 7 PHE C A 8 ASN N 1.0 90.0 150.0 PSI 71 71 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 SER N 1.0 20.0 80.0 PSI 72 72 A 10 SER N A 10 SER CA A 10 SER C A 11 TYR N 1.0 -51.0 13.0 PSI 73 73 A 11 TYR N A 11 TYR CA A 11 TYR C A 12 GLY N 1.0 104.0 208.0 PSI 74 74 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 PRO N 1.0 97.0 193.0 PSI 75 75 A 14 PRO N A 14 PRO CA A 14 PRO C A 15 VAL N 1.0 126.0 166.0 PSI 76 76 A 15 VAL N A 15 VAL CA A 15 VAL C A 16 GLU N 1.0 107.0 163.0 PSI 77 77 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 VAL N 1.0 102.0 166.0 PSI 78 78 A 17 VAL N A 17 VAL CA A 17 VAL C A 18 ASP N 1.0 141.0 181.0 PSI 79 79 A 18 ASP N A 18 ASP CA A 18 ASP C A 19 SER N 1.0 150.0 190.0 PSI 80 80 A 19 SER N A 19 SER CA A 19 SER C A 20 ASP N 1.0 -44.0 -4.0 PSI 81 81 A 20 ASP N A 20 ASP CA A 20 ASP C A 21 THR N 1.0 -22.0 26.0 PSI 82 82 A 21 THR N A 21 THR CA A 21 THR C A 22 SER N 1.0 112.0 152.0 PSI 83 83 A 22 SER N A 22 SER CA A 22 SER C A 23 ILE N 1.0 117.0 167.0 PSI 84 84 A 23 ILE N A 23 ILE CA A 23 ILE C A 24 PHE N 1.0 -43.0 -3.0 PSI 85 85 A 24 PHE N A 24 PHE CA A 24 PHE C A 25 GLN N 1.0 -63.0 -23.0 PSI 86 86 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 LEU N 1.0 -59.0 -19.0 PSI 87 87 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 LYS N 1.0 -62.0 -22.0 PSI 88 88 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 GLU N 1.0 -60.0 -20.0 PSI 89 89 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 VAL N 1.0 -64.0 -24.0 PSI 90 90 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 VAL N 1.0 -62.0 -22.0 PSI 91 91 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 ALA N 1.0 -64.0 -24.0 PSI 92 92 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 LYS N 1.0 -62.0 -22.0 PSI 93 93 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 ARG N 1.0 -68.0 -8.0 PSI 94 94 A 33 ARG N A 33 ARG CA A 33 ARG C A 34 GLN N 1.0 -58.0 -18.0 PSI 95 95 A 34 GLN N A 34 GLN CA A 34 GLN C A 35 GLY N 1.0 -30.0 22.0 PSI 96 96 A 35 GLY N A 35 GLY CA A 35 GLY C A 36 VAL N 1.0 2.0 58.0 PSI 97 97 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 PRO N 1.0 92.0 180.0 PSI 98 98 A 37 PRO N A 37 PRO CA A 37 PRO C A 38 ALA N 1.0 120.0 164.0 PSI 99 99 A 38 ALA N A 38 ALA CA A 38 ALA C A 39 ASP N 1.0 -52.0 -8.0 PSI 100 100 A 39 ASP N A 39 ASP CA A 39 ASP C A 40 GLN N 1.0 -54.0 18.0 PSI 101 101 A 40 GLN N A 40 GLN CA A 40 GLN C A 41 LEU N 1.0 -48.0 28.0 PSI 102 102 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 ARG N 1.0 129.0 169.0 PSI 103 103 A 42 ARG N A 42 ARG CA A 42 ARG C A 43 VAL N 1.0 119.0 163.0 PSI 104 104 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 ILE N 1.0 102.0 142.0 PSI 105 105 A 44 ILE N A 44 ILE CA A 44 ILE C A 45 PHE N 1.0 109.0 149.0 PSI 106 106 A 45 PHE N A 45 PHE CA A 45 PHE C A 46 ALA N 1.0 102.0 142.0 PSI 107 107 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 GLY N 1.0 20.0 60.0 PSI 108 108 A 47 GLY N A 47 GLY CA A 47 GLY C A 48 LYS N 1.0 -20.0 28.0 PSI 109 109 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 GLU N 1.0 119.0 183.0 PSI 110 110 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 LEU N 1.0 100.0 148.0 PSI 111 111 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 GLN N 1.0 90.0 178.0 PSI 112 112 A 51 GLN N A 51 GLN CA A 51 GLN C A 52 ASN N 1.0 121.0 181.0 PSI 113 113 A 52 ASN N A 52 ASN CA A 52 ASN C A 53 HIS N 1.0 -53.0 -13.0 PSI 114 114 A 53 HIS N A 53 HIS CA A 53 HIS C A 54 LEU N 1.0 -50.0 26.0 PSI 115 115 A 54 LEU N A 54 LEU CA A 54 LEU C A 55 THR N 1.0 125.0 177.0 PSI 116 116 A 55 THR N A 55 THR CA A 55 THR C A 56 VAL N 1.0 143.0 183.0 PSI 117 117 A 56 VAL N A 56 VAL CA A 56 VAL C A 57 GLN N 1.0 -62.0 -22.0 PSI 118 118 A 65 SER N A 65 SER CA A 65 SER C A 66 ILE N 1.0 133.0 173.0 PSI 119 119 A 66 ILE N A 66 ILE CA A 66 ILE C A 67 VAL N 1.0 101.0 149.0 PSI 120 120 A 67 VAL N A 67 VAL CA A 67 VAL C A 68 HIS N 1.0 108.0 158.0 PSI 121 121 A 68 HIS N A 68 HIS CA A 68 HIS C A 69 ILE N 1.0 102.0 152.0 PSI 122 122 A 69 ILE N A 69 ILE CA A 69 ILE C A 70 VAL N 1.0 93.0 153.0 PSI 123 123 A 70 VAL N A 70 VAL CA A 70 VAL C A 71 GLN N 1.0 122.0 178.0 PSI 124 124 A 71 GLN N A 71 GLN CA A 71 GLN C A 72 ARG N 1.0 101.0 145.0 PSI 125 125 A 72 ARG N A 72 ARG CA A 72 ARG C A 73 PRO N 1.0 83.0 159.0 PSI 126 126 A 73 PRO N A 73 PRO CA A 73 PRO C A 74 GLN N 1.0 126.0 166.0 PSI 127 127 A 74 GLN N A 74 GLN CA A 74 GLN C A 75 ARG N 1.0 97.0 169.0 PSI 128 128 A 75 ARG N A 75 ARG CA A 75 ARG C A 76 LYS N 1.0 91.0 155.0 PSI 129 129 A 72 ARG CA A 72 ARG C A 73 PRO N A 73 PRO CA 1.0 178.0 182.0 OMEGA stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 2 ILE N A 2 ILE H 1.0 . . . 2 2 A 3 VAL N A 3 VAL H 1.0 . . . 3 3 A 4 PHE N A 4 PHE H 1.0 . . . 4 4 A 5 VAL N A 5 VAL H 1.0 . . . 5 5 A 6 ARG N A 6 ARG H 1.0 . . . 6 6 A 15 VAL N A 15 VAL H 1.0 . . . 7 7 A 16 GLU N A 16 GLU H 1.0 . . . 8 8 A 17 VAL N A 17 VAL H 1.0 . . . 9 9 A 18 ASP N A 18 ASP H 1.0 . . . 10 10 A 19 SER N A 19 SER H 1.0 . . . 11 11 A 20 ASP N A 20 ASP H 1.0 . . . 12 12 A 22 SER N A 22 SER H 1.0 . . . 13 13 A 23 ILE N A 23 ILE H 1.0 . . . 14 14 A 24 PHE N A 24 PHE H 1.0 . . . 15 15 A 25 GLN N A 25 GLN H 1.0 . . . 16 16 A 26 LEU N A 26 LEU H 1.0 . . . 17 17 A 27 LYS N A 27 LYS H 1.0 . . . 18 18 A 28 GLU N A 28 GLU H 1.0 . . . 19 19 A 29 VAL N A 29 VAL H 1.0 . . . 20 20 A 30 VAL N A 30 VAL H 1.0 . . . 21 21 A 33 ARG N A 33 ARG H 1.0 . . . 22 22 A 34 GLN N A 34 GLN H 1.0 . . . 23 23 A 35 GLY N A 35 GLY H 1.0 . . . 24 24 A 36 VAL N A 36 VAL H 1.0 . . . 25 25 A 38 ALA N A 38 ALA H 1.0 . . . 26 26 A 39 ASP N A 39 ASP H 1.0 . . . 27 27 A 40 GLN N A 40 GLN H 1.0 . . . 28 28 A 42 ARG N A 42 ARG H 1.0 . . . 29 29 A 43 VAL N A 43 VAL H 1.0 . . . 30 30 A 44 ILE N A 44 ILE H 1.0 . . . 31 31 A 45 PHE N A 45 PHE H 1.0 . . . 32 32 A 46 ALA N A 46 ALA H 1.0 . . . 33 33 A 47 GLY N A 47 GLY H 1.0 . . . 34 34 A 48 LYS N A 48 LYS H 1.0 . . . 35 35 A 49 GLU N A 49 GLU H 1.0 . . . 36 36 A 50 LEU N A 50 LEU H 1.0 . . . 37 37 A 51 GLN N A 51 GLN H 1.0 . . . 38 38 A 52 ASN N A 52 ASN H 1.0 . . . 39 39 A 53 HIS N A 53 HIS H 1.0 . . . 40 40 A 54 LEU N A 54 LEU H 1.0 . . . 41 41 A 55 THR N A 55 THR H 1.0 . . . 42 42 A 56 VAL N A 56 VAL H 1.0 . . . 43 43 A 57 GLN N A 57 GLN H 1.0 . . . 44 44 A 58 ASN N A 58 ASN H 1.0 . . . 45 45 A 59 CYS N A 59 CYS H 1.0 . . . 46 46 A 60 ASP N A 60 ASP H 1.0 . . . 47 47 A 61 LEU N A 61 LEU H 1.0 . . . 48 48 A 62 GLU N A 62 GLU H 1.0 . . . 49 49 A 63 GLN N A 63 GLN H 1.0 . . . 50 50 A 64 GLN N A 64 GLN H 1.0 . . . 51 51 A 66 ILE N A 66 ILE H 1.0 . . . 52 52 A 67 VAL N A 67 VAL H 1.0 . . . 53 53 A 68 HIS N A 68 HIS H 1.0 . . . 54 54 A 69 ILE N A 69 ILE H 1.0 . . . 55 55 A 70 VAL N A 70 VAL H 1.0 . . . 56 56 B 292 GLN N B 292 GLN H 1.0 . . . 57 57 B 294 CYS N B 294 CYS H 1.0 . . . 58 58 B 295 CYS N B 295 CYS H 1.0 . . . 59 59 B 296 ARG N B 296 ARG H 1.0 . . . 60 60 B 297 ALA N B 297 ALA H 1.0 . . . 61 61 B 298 LEU N B 298 LEU H 1.0 . . . 62 62 B 299 TYR N B 299 TYR H 1.0 . . . 63 63 B 300 ASP N B 300 ASP H 1.0 . . . 64 64 B 301 PHE N B 301 PHE H 1.0 . . . 65 65 B 302 GLU N B 302 GLU H 1.0 . . . 66 66 B 304 GLU N B 304 GLU H 1.0 . . . 67 67 B 305 ASN N B 305 ASN H 1.0 . . . 68 68 B 306 GLU N B 306 GLU H 1.0 . . . 69 69 B 307 GLY N B 307 GLY H 1.0 . . . 70 70 B 308 GLU N B 308 GLU H 1.0 . . . 71 71 B 309 LEU N B 309 LEU H 1.0 . . . 72 72 B 310 GLY N B 310 GLY H 1.0 . . . 73 73 B 311 PHE N B 311 PHE H 1.0 . . . 74 74 B 312 LYS N B 312 LYS H 1.0 . . . 75 75 B 313 GLU N B 313 GLU H 1.0 . . . 76 76 B 314 GLY N B 314 GLY H 1.0 . . . 77 77 B 315 ASP N B 315 ASP H 1.0 . . . 78 78 B 316 ILE N B 316 ILE H 1.0 . . . 79 79 B 317 ILE N B 317 ILE H 1.0 . . . 80 80 B 318 THR N B 318 THR H 1.0 . . . 81 81 B 319 LEU N B 319 LEU H 1.0 . . . 82 82 B 320 THR N B 320 THR H 1.0 . . . 83 83 B 321 ASN N B 321 ASN H 1.0 . . . 84 84 B 322 GLN N B 322 GLN H 1.0 . . . 85 85 B 323 ILE N B 323 ILE H 1.0 . . . 86 86 B 324 ASP N B 324 ASP H 1.0 . . . 87 87 B 325 GLU N B 325 GLU H 1.0 . . . 88 88 B 326 ASN N B 326 ASN H 1.0 . . . 89 89 B 327 TRP N B 327 TRP H 1.0 . . . 90 90 B 328 TYR N B 328 TYR H 1.0 . . . 91 91 B 329 GLU N B 329 GLU H 1.0 . . . 92 92 B 330 GLY N B 330 GLY H 1.0 . . . 93 93 B 331 MET N B 331 MET H 1.0 . . . 94 94 B 332 LEU N B 332 LEU H 1.0 . . . 95 95 B 334 GLY N B 334 GLY H 1.0 . . . 96 96 B 335 GLN N B 335 GLN H 1.0 . . . 97 97 B 336 SER N B 336 SER H 1.0 . . . 98 98 B 337 GLY N B 337 GLY H 1.0 . . . 99 99 B 338 PHE N B 338 PHE H 1.0 . . . 100 100 B 339 PHE N B 339 PHE H 1.0 . . . 101 101 B 342 ASN N B 342 ASN H 1.0 . . . 102 102 B 344 VAL N B 344 VAL H 1.0 . . . 103 103 B 345 GLU N B 345 GLU H 1.0 . . . 104 104 B 346 ILE N B 346 ILE H 1.0 . . . 105 105 B 347 LEU N B 347 LEU H 1.0 . . . 106 106 B 348 VAL N B 348 VAL H 1.0 . . . 107 107 B 349 ALA N B 349 ALA H 1.0 . . . 108 108 B 350 LEU N B 350 LEU H 1.0 . . . 109 109 A 7 PHE N A 7 PHE H 1.0 . . . 110 110 A 8 ASN N A 8 ASN H 1.0 . . . 111 111 A 11 TYR N A 11 TYR H 1.0 . . . 112 112 A 12 GLY N A 12 GLY H 1.0 . . . 113 113 A 21 THR N A 21 THR H 1.0 . . . 114 114 A 41 LEU N A 41 LEU H 1.0 . . . 115 115 A 71 GLN N A 71 GLN H 1.0 . . . 116 116 A 72 ARG N A 72 ARG H 1.0 . . . 117 117 A 74 GLN N A 74 GLN H 1.0 . . . 118 118 A 75 ARG N A 75 ARG H 1.0 . . . stop_ save_