data_nef_c19688_2mnj 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 1 GLY start . false 2 A 2 PRO middle . false 3 A 3 HIS middle . . 4 A 4 MET middle . . 5 A 5 SER middle . . 6 A 6 VAL middle . . 7 A 7 GLN middle . . 8 A 8 ILE middle . . 9 A 9 PRO middle . false 10 A 10 VAL middle . . 11 A 11 VAL middle . . 12 A 12 GLU middle . . 13 A 13 VAL middle . . 14 A 14 ASP middle . . 15 A 15 GLU middle . . 16 A 16 LEU middle . . 17 A 17 PRO middle . false 18 A 18 GLU middle . . 19 A 19 GLY middle . false 20 A 20 TYR middle . . 21 A 21 ASP middle . . 22 A 22 ARG middle . . 23 A 23 SER end . . 24 B 24 PRO start . false 25 B 25 HIS middle . . 26 B 26 GLU middle . . 27 B 27 GLN middle . . 28 B 28 GLN middle . . 29 B 29 GLU middle . . 30 B 30 ASP middle . . 31 B 31 VAL middle . . 32 B 32 PRO middle . false 33 B 33 GLU middle . . 34 B 34 TYR middle . . 35 B 35 GLU middle . . 36 B 36 VAL middle . . 37 B 37 LYS middle . . 38 B 38 MET middle . . 39 B 39 LYS middle . . 40 B 40 ARG middle . . 41 B 41 PHE middle . . 42 B 42 LYS middle . . 43 B 43 GLY middle . false 44 B 44 ALA middle . . 45 B 45 ALA middle . . 46 B 46 TYR middle . . 47 B 47 LYS middle . . 48 B 48 LEU middle . . 49 B 49 ARG middle . . 50 B 50 ILE middle . . 51 B 51 LEU middle . . 52 B 52 ILE middle . . 53 B 53 GLU middle . . 54 B 54 ASN middle . . 55 B 55 LYS middle . . 56 B 56 ALA middle . . 57 B 57 PRO middle . false 58 B 58 ASN middle . . 59 B 59 SER middle . . 60 B 60 LYS middle . . 61 B 61 PRO middle . false 62 B 62 ASP middle . . 63 B 63 ARG middle . . 64 B 64 PHE middle . . 65 B 65 SER middle . . 66 B 66 PRO middle . false 67 B 67 SER middle . . 68 B 68 TYR middle . . 69 B 69 ASN middle . . 70 B 70 PHE middle . . 71 B 71 ALA middle . . 72 B 72 GLU middle . . 73 B 73 ASN middle . . 74 B 74 ILE middle . . 75 B 75 LEU middle . . 76 B 76 TYR middle . . 77 B 77 ILE middle . . 78 B 78 ASN middle . . 79 B 79 GLY middle . false 80 B 80 LYS middle . . 81 B 81 LEU middle . . 82 B 82 SER middle . . 83 B 83 ILE middle . . 84 B 84 PRO middle . false 85 B 85 LEU middle . . 86 B 86 PRO middle . false 87 B 87 ARG middle . . 88 B 88 ASP middle . . 89 B 89 ILE middle . . 90 B 90 VAL middle . . 91 B 91 VAL middle . . 92 B 92 ASN middle . . 93 B 93 ALA middle . . 94 B 94 ALA middle . . 95 B 95 ASP middle . . 96 B 96 ILE middle . . 97 B 97 LYS middle . . 98 B 98 ILE middle . . 99 B 99 PHE middle . . 100 B 100 HIS middle . . 101 B 101 ILE middle . . 102 B 102 ARG middle . . 103 B 103 LYS middle . . 104 B 104 GLU middle . . 105 B 105 ARG middle . . 106 B 106 THR middle . . 107 B 107 LEU middle . . 108 B 108 TYR middle . . 109 B 109 ILE middle . . 110 B 110 TYR middle . . 111 B 111 ILE 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 4 MET HA H 1 4.543 0.020 A 4 MET HB2 H 1 1.971 0.020 A 4 MET HB3 H 1 2.051 0.020 A 4 MET HE% H 1 2.069 0.020 A 4 MET HG2 H 1 2.444 0.020 A 4 MET HG3 H 1 2.541 0.020 A 4 MET C C 13 175.334 0.300 A 4 MET CA C 13 55.625 0.300 A 4 MET CB C 13 32.654 0.300 A 4 MET CE C 13 17.035 0.300 A 4 MET CG C 13 32.044 0.300 A 5 SER H H 1 8.111 0.020 A 5 SER HA H 1 5.176 0.020 A 5 SER HBx H 1 3.623 0.020 A 5 SER HBy H 1 3.623 0.020 A 5 SER C C 13 173.450 0.300 A 5 SER CA C 13 57.544 0.300 A 5 SER CB C 13 65.179 0.300 A 5 SER N N 15 115.552 0.300 A 6 VAL H H 1 8.506 0.020 A 6 VAL HA H 1 4.519 0.020 A 6 VAL HB H 1 2.155 0.020 A 6 VAL HGx% H 1 1.088 0.020 A 6 VAL HGy% H 1 1.150 0.020 A 6 VAL C C 13 175.008 0.300 A 6 VAL CA C 13 60.540 0.300 A 6 VAL CB C 13 34.654 0.300 A 6 VAL CG1 C 13 21.184 0.300 A 6 VAL CG2 C 13 20.721 0.300 A 6 VAL N N 15 120.601 0.300 A 7 GLN H H 1 8.747 0.020 A 7 GLN HA H 1 4.411 0.020 A 7 GLN HBx H 1 2.038 0.020 A 7 GLN HBy H 1 2.038 0.020 A 7 GLN HE21 H 1 6.773 0.020 A 7 GLN HE22 H 1 7.580 0.020 A 7 GLN HG2 H 1 2.342 0.020 A 7 GLN HG3 H 1 2.444 0.020 A 7 GLN C C 13 175.347 0.300 A 7 GLN CA C 13 56.519 0.300 A 7 GLN CB C 13 29.327 0.300 A 7 GLN CD C 13 180.197 0.300 A 7 GLN CG C 13 34.352 0.300 A 7 GLN N N 15 125.947 0.300 A 7 GLN NE2 N 15 112.205 0.300 A 8 ILE H H 1 7.932 0.020 A 8 ILE HA H 1 4.661 0.020 A 8 ILE HB H 1 1.574 0.020 A 8 ILE HD1% H 1 0.765 0.020 A 8 ILE HG12 H 1 1.326 0.020 A 8 ILE HG13 H 1 1.326 0.020 A 8 ILE HG2% H 1 0.933 0.020 A 8 ILE C C 13 173.743 0.300 A 8 ILE CA C 13 56.505 0.300 A 8 ILE CB C 13 40.312 0.300 A 8 ILE CD1 C 13 13.300 0.300 A 8 ILE CG1 C 13 26.732 0.300 A 8 ILE CG2 C 13 17.538 0.300 A 8 ILE N N 15 125.114 0.300 A 9 PRO HA H 1 4.397 0.020 A 9 PRO HB2 H 1 1.799 0.020 A 9 PRO HB3 H 1 2.200 0.020 A 9 PRO HDx H 1 3.505 0.020 A 9 PRO HDy H 1 3.505 0.020 A 9 PRO HG2 H 1 1.858 0.020 A 9 PRO HG3 H 1 1.944 0.020 A 9 PRO C C 13 175.498 0.300 A 9 PRO CA C 13 63.011 0.300 A 9 PRO CB C 13 32.197 0.300 A 9 PRO CD C 13 49.278 0.300 A 9 PRO CG C 13 26.718 0.300 A 10 VAL H H 1 8.312 0.020 A 10 VAL HA H 1 3.966 0.020 A 10 VAL HB H 1 2.067 0.020 A 10 VAL HGx% H 1 0.834 0.020 A 10 VAL HGy% H 1 0.882 0.020 A 10 VAL C C 13 175.874 0.300 A 10 VAL CA C 13 61.730 0.300 A 10 VAL CB C 13 33.335 0.300 A 10 VAL CG1 C 13 22.732 0.300 A 10 VAL CG2 C 13 22.117 0.300 A 10 VAL N N 15 120.668 0.300 A 11 VAL H H 1 8.530 0.020 A 11 VAL HA H 1 4.294 0.020 A 11 VAL HB H 1 2.155 0.020 A 11 VAL HGx% H 1 0.855 0.020 A 11 VAL HGy% H 1 1.061 0.020 A 11 VAL C C 13 175.757 0.300 A 11 VAL CA C 13 62.012 0.300 A 11 VAL CB C 13 32.509 0.300 A 11 VAL CG1 C 13 20.877 0.300 A 11 VAL CG2 C 13 21.199 0.300 A 11 VAL N N 15 130.290 0.300 A 12 GLU H H 1 8.982 0.020 A 12 GLU HA H 1 5.160 0.020 A 12 GLU HBx H 1 2.115 0.020 A 12 GLU HBy H 1 2.115 0.020 A 12 GLU HG2 H 1 2.303 0.020 A 12 GLU HG3 H 1 2.518 0.020 A 12 GLU C C 13 176.249 0.300 A 12 GLU CA C 13 56.291 0.300 A 12 GLU CB C 13 29.535 0.300 A 12 GLU CG C 13 36.182 0.300 A 12 GLU N N 15 129.880 0.300 A 13 VAL H H 1 8.387 0.020 A 13 VAL HA H 1 4.888 0.020 A 13 VAL HB H 1 2.380 0.020 A 13 VAL HGx% H 1 0.545 0.020 A 13 VAL HGy% H 1 1.041 0.020 A 13 VAL C C 13 174.890 0.300 A 13 VAL CA C 13 58.984 0.300 A 13 VAL CB C 13 36.383 0.300 A 13 VAL CG1 C 13 19.276 0.300 A 13 VAL CG2 C 13 23.710 0.300 A 13 VAL N N 15 116.792 0.300 A 14 ASP H H 1 8.724 0.020 A 14 ASP HA H 1 4.870 0.020 A 14 ASP HB2 H 1 2.558 0.020 A 14 ASP HB3 H 1 2.733 0.020 A 14 ASP C C 13 175.710 0.300 A 14 ASP CA C 13 55.465 0.300 A 14 ASP CB C 13 41.848 0.300 A 14 ASP N N 15 118.938 0.300 A 15 GLU H H 1 7.399 0.020 A 15 GLU HA H 1 4.329 0.020 A 15 GLU HB2 H 1 1.795 0.020 A 15 GLU HB3 H 1 1.883 0.020 A 15 GLU HGx H 1 2.097 0.020 A 15 GLU HGy H 1 2.097 0.020 A 15 GLU C C 13 174.200 0.300 A 15 GLU CA C 13 53.972 0.300 A 15 GLU CB C 13 32.440 0.300 A 15 GLU CG C 13 34.909 0.300 A 15 GLU N N 15 115.134 0.300 A 16 LEU H H 1 8.819 0.020 A 16 LEU HA H 1 3.696 0.020 A 16 LEU HB2 H 1 0.914 0.020 A 16 LEU HB3 H 1 1.369 0.020 A 16 LEU HDx% H 1 0.065 0.020 A 16 LEU HDy% H 1 0.195 0.020 A 16 LEU HG H 1 1.076 0.020 A 16 LEU C C 13 174.738 0.300 A 16 LEU CA C 13 53.166 0.300 A 16 LEU CB C 13 40.837 0.300 A 16 LEU CD1 C 13 22.982 0.300 A 16 LEU CD2 C 13 25.572 0.300 A 16 LEU CG C 13 26.447 0.300 A 16 LEU N N 15 124.013 0.300 A 17 PRO HA H 1 4.356 0.020 A 17 PRO HB2 H 1 1.991 0.020 A 17 PRO HB3 H 1 2.420 0.020 A 17 PRO HD2 H 1 3.372 0.020 A 17 PRO HD3 H 1 3.418 0.020 A 17 PRO HGx H 1 2.033 0.020 A 17 PRO HGy H 1 2.033 0.020 A 17 PRO C C 13 175.556 0.300 A 17 PRO CA C 13 62.451 0.300 A 17 PRO CB C 13 32.212 0.300 A 17 PRO CD C 13 49.209 0.300 A 17 PRO CG C 13 26.399 0.300 A 18 GLU H H 1 8.406 0.020 A 18 GLU HA H 1 3.946 0.020 A 18 GLU HB2 H 1 1.887 0.020 A 18 GLU HB3 H 1 1.960 0.020 A 18 GLU HGx H 1 2.233 0.020 A 18 GLU HGy H 1 2.233 0.020 A 18 GLU C C 13 176.893 0.300 A 18 GLU CA C 13 57.972 0.300 A 18 GLU CB C 13 29.604 0.300 A 18 GLU CG C 13 35.942 0.300 A 18 GLU N N 15 120.839 0.300 A 19 GLY H H 1 8.650 0.020 A 19 GLY HA2 H 1 3.469 0.020 A 19 GLY HA3 H 1 4.028 0.020 A 19 GLY C C 13 174.223 0.300 A 19 GLY CA C 13 44.348 0.300 A 19 GLY N N 15 110.774 0.300 A 20 TYR H H 1 7.169 0.020 A 20 TYR HA H 1 3.872 0.020 A 20 TYR HB2 H 1 2.128 0.020 A 20 TYR HB3 H 1 2.263 0.020 A 20 TYR HD1 H 1 5.641 0.020 A 20 TYR HD2 H 1 5.641 0.020 A 20 TYR HE1 H 1 6.457 0.020 A 20 TYR HE2 H 1 6.457 0.020 A 20 TYR C C 13 173.731 0.300 A 20 TYR CA C 13 58.611 0.300 A 20 TYR CB C 13 37.559 0.300 A 20 TYR CD1 C 13 133.396 0.300 A 20 TYR CE1 C 13 116.854 0.300 A 20 TYR N N 15 120.394 0.300 A 21 ASP H H 1 7.491 0.020 A 21 ASP HA H 1 4.573 0.020 A 21 ASP HB2 H 1 2.713 0.020 A 21 ASP HB3 H 1 2.841 0.020 A 21 ASP C C 13 178.485 0.300 A 21 ASP CA C 13 55.092 0.300 A 21 ASP CB C 13 42.678 0.300 A 21 ASP N N 15 122.330 0.300 A 22 ARG H H 1 9.406 0.020 A 22 ARG HA H 1 4.578 0.020 A 22 ARG HB2 H 1 1.806 0.020 A 22 ARG HB3 H 1 2.021 0.020 A 22 ARG HD2 H 1 3.074 0.020 A 22 ARG HD3 H 1 3.163 0.020 A 22 ARG HG2 H 1 1.583 0.020 A 22 ARG HG3 H 1 1.685 0.020 A 22 ARG C C 13 175.335 0.300 A 22 ARG CA C 13 56.052 0.300 A 22 ARG CB C 13 31.264 0.300 A 22 ARG CD C 13 43.706 0.300 A 22 ARG CG C 13 26.393 0.300 A 22 ARG N N 15 129.791 0.300 A 23 SER H H 1 8.757 0.020 A 23 SER HA H 1 4.278 0.020 A 23 SER HB2 H 1 3.987 0.020 A 23 SER HB3 H 1 4.022 0.020 A 23 SER CA C 13 61.116 0.300 A 23 SER CB C 13 65.033 0.300 A 23 SER N N 15 124.944 0.300 B 26 GLU HA H 1 4.671 0.020 B 26 GLU HB2 H 1 2.021 0.020 B 26 GLU HB3 H 1 2.079 0.020 B 26 GLU HGx H 1 2.362 0.020 B 26 GLU HGy H 1 2.362 0.020 B 26 GLU CA C 13 56.431 0.300 B 26 GLU CB C 13 30.094 0.300 B 26 GLU CG C 13 36.071 0.300 B 27 GLN H H 1 8.668 0.020 B 27 GLN HA H 1 4.281 0.020 B 27 GLN HB2 H 1 1.904 0.020 B 27 GLN HB3 H 1 2.014 0.020 B 27 GLN HGx H 1 2.234 0.020 B 27 GLN HGy H 1 2.234 0.020 B 27 GLN C C 13 176.213 0.300 B 27 GLN CA C 13 56.822 0.300 B 27 GLN CB C 13 30.094 0.300 B 27 GLN CG C 13 36.253 0.300 B 27 GLN N N 15 122.753 0.300 B 28 GLN H H 1 8.558 0.020 B 28 GLN HA H 1 4.342 0.020 B 28 GLN HB2 H 1 1.996 0.020 B 28 GLN HB3 H 1 2.088 0.020 B 28 GLN HE21 H 1 6.860 0.020 B 28 GLN HE22 H 1 7.608 0.020 B 28 GLN HGx H 1 2.355 0.020 B 28 GLN HGy H 1 2.355 0.020 B 28 GLN C C 13 175.780 0.300 B 28 GLN CA C 13 55.872 0.300 B 28 GLN CB C 13 29.272 0.300 B 28 GLN CG C 13 33.797 0.300 B 28 GLN N N 15 121.458 0.300 B 28 GLN NE2 N 15 112.650 0.300 B 29 GLU H H 1 8.521 0.020 B 29 GLU HA H 1 4.317 0.020 B 29 GLU HBx H 1 1.974 0.020 B 29 GLU HBy H 1 1.974 0.020 B 29 GLU HG2 H 1 2.229 0.020 B 29 GLU HG3 H 1 2.358 0.020 B 29 GLU C C 13 175.886 0.300 B 29 GLU CA C 13 56.454 0.300 B 29 GLU CB C 13 30.509 0.300 B 29 GLU CG C 13 36.232 0.300 B 29 GLU N N 15 122.173 0.300 B 30 ASP H H 1 8.358 0.020 B 30 ASP HA H 1 4.589 0.020 B 30 ASP HB2 H 1 2.464 0.020 B 30 ASP HB3 H 1 2.612 0.020 B 30 ASP C C 13 175.628 0.300 B 30 ASP CA C 13 54.284 0.300 B 30 ASP CB C 13 41.156 0.300 B 30 ASP N N 15 121.713 0.300 B 31 VAL H H 1 8.006 0.020 B 31 VAL HA H 1 4.382 0.020 B 31 VAL HB H 1 2.076 0.020 B 31 VAL HGx% H 1 0.921 0.020 B 31 VAL HGy% H 1 0.984 0.020 B 31 VAL C C 13 173.883 0.300 B 31 VAL CA C 13 59.730 0.300 B 31 VAL CB C 13 32.233 0.300 B 31 VAL CG1 C 13 20.342 0.300 B 31 VAL CG2 C 13 21.228 0.300 B 31 VAL N N 15 121.330 0.300 B 32 PRO HA H 1 4.278 0.020 B 32 PRO HB2 H 1 1.319 0.020 B 32 PRO HB3 H 1 2.030 0.020 B 32 PRO HD2 H 1 3.663 0.020 B 32 PRO HD3 H 1 3.775 0.020 B 32 PRO HGx H 1 1.947 0.020 B 32 PRO HGy H 1 1.947 0.020 B 32 PRO C C 13 175.732 0.300 B 32 PRO CA C 13 63.010 0.300 B 32 PRO CB C 13 32.367 0.300 B 32 PRO CD C 13 50.604 0.300 B 32 PRO CG C 13 27.459 0.300 B 33 GLU H H 1 7.594 0.020 B 33 GLU HA H 1 4.273 0.020 B 33 GLU HB2 H 1 1.712 0.020 B 33 GLU HB3 H 1 1.798 0.020 B 33 GLU HG2 H 1 1.992 0.020 B 33 GLU HG3 H 1 2.142 0.020 B 33 GLU C C 13 174.621 0.300 B 33 GLU CA C 13 55.652 0.300 B 33 GLU CB C 13 31.374 0.300 B 33 GLU CG C 13 35.849 0.300 B 33 GLU N N 15 121.480 0.300 B 34 TYR H H 1 8.333 0.020 B 34 TYR HA H 1 5.421 0.020 B 34 TYR HBx H 1 2.666 0.020 B 34 TYR HBy H 1 2.666 0.020 B 34 TYR HDx H 1 6.949 0.020 B 34 TYR HDy H 1 6.949 0.020 B 34 TYR HEx H 1 6.747 0.020 B 34 TYR HEy H 1 6.747 0.020 B 34 TYR C C 13 176.026 0.300 B 34 TYR CA C 13 57.145 0.300 B 34 TYR CB C 13 40.534 0.300 B 34 TYR CD1 C 13 133.002 0.300 B 34 TYR CE1 C 13 117.860 0.300 B 34 TYR N N 15 119.945 0.300 B 35 GLU H H 1 9.129 0.020 B 35 GLU HA H 1 4.689 0.020 B 35 GLU HB2 H 1 1.886 0.020 B 35 GLU HB3 H 1 2.060 0.020 B 35 GLU HG2 H 1 2.155 0.020 B 35 GLU HG3 H 1 2.229 0.020 B 35 GLU C C 13 174.750 0.300 B 35 GLU CA C 13 55.545 0.300 B 35 GLU CB C 13 32.579 0.300 B 35 GLU CG C 13 36.342 0.300 B 35 GLU N N 15 124.200 0.300 B 36 VAL H H 1 8.703 0.020 B 36 VAL HA H 1 4.951 0.020 B 36 VAL HB H 1 1.980 0.020 B 36 VAL HGx% H 1 0.764 0.020 B 36 VAL HGy% H 1 0.861 0.020 B 36 VAL C C 13 175.944 0.300 B 36 VAL CA C 13 61.465 0.300 B 36 VAL CB C 13 33.270 0.300 B 36 VAL CG1 C 13 21.326 0.300 B 36 VAL CG2 C 13 21.117 0.300 B 36 VAL N N 15 126.739 0.300 B 37 LYS H H 1 9.088 0.020 B 37 LYS HA H 1 4.935 0.020 B 37 LYS HB2 H 1 1.671 0.020 B 37 LYS HB3 H 1 1.932 0.020 B 37 LYS HD2 H 1 1.586 0.020 B 37 LYS HD3 H 1 1.706 0.020 B 37 LYS HEx H 1 2.896 0.020 B 37 LYS HEy H 1 2.896 0.020 B 37 LYS HGx H 1 1.416 0.020 B 37 LYS HGy H 1 1.416 0.020 B 37 LYS C C 13 175.651 0.300 B 37 LYS CA C 13 55.065 0.300 B 37 LYS CB C 13 36.314 0.300 B 37 LYS CD C 13 29.130 0.300 B 37 LYS CE C 13 42.206 0.300 B 37 LYS CG C 13 25.103 0.300 B 37 LYS N N 15 127.242 0.300 B 38 MET H H 1 8.994 0.020 B 38 MET HA H 1 5.478 0.020 B 38 MET HB2 H 1 1.830 0.020 B 38 MET HB3 H 1 2.019 0.020 B 38 MET HE% H 1 2.031 0.020 B 38 MET HG2 H 1 2.409 0.020 B 38 MET HG3 H 1 2.507 0.020 B 38 MET C C 13 174.785 0.300 B 38 MET CA C 13 55.024 0.300 B 38 MET CB C 13 36.314 0.300 B 38 MET CE C 13 17.655 0.300 B 38 MET CG C 13 33.162 0.300 B 38 MET N N 15 121.849 0.300 B 39 LYS H H 1 8.904 0.020 B 39 LYS HA H 1 4.528 0.020 B 39 LYS HB2 H 1 1.617 0.020 B 39 LYS HB3 H 1 1.750 0.020 B 39 LYS HD2 H 1 1.441 0.020 B 39 LYS HD3 H 1 1.610 0.020 B 39 LYS HE2 H 1 2.472 0.020 B 39 LYS HE3 H 1 2.695 0.020 B 39 LYS HG2 H 1 1.157 0.020 B 39 LYS HG3 H 1 0.702 0.020 B 39 LYS C C 13 173.919 0.300 B 39 LYS CA C 13 56.345 0.300 B 39 LYS CB C 13 36.660 0.300 B 39 LYS CD C 13 30.070 0.300 B 39 LYS CE C 13 42.092 0.300 B 39 LYS CG C 13 25.214 0.300 B 39 LYS N N 15 124.758 0.300 B 40 ARG H H 1 8.541 0.020 B 40 ARG HA H 1 5.287 0.020 B 40 ARG HB2 H 1 1.705 0.020 B 40 ARG HB3 H 1 1.961 0.020 B 40 ARG HDx H 1 3.269 0.020 B 40 ARG HDy H 1 3.269 0.020 B 40 ARG HGx H 1 1.606 0.020 B 40 ARG HGy H 1 1.606 0.020 B 40 ARG C C 13 175.944 0.300 B 40 ARG CA C 13 54.319 0.300 B 40 ARG CB C 13 31.403 0.300 B 40 ARG CD C 13 43.074 0.300 B 40 ARG CG C 13 27.864 0.300 B 40 ARG N N 15 125.422 0.300 B 41 PHE H H 1 8.390 0.020 B 41 PHE HA H 1 4.699 0.020 B 41 PHE HB2 H 1 2.841 0.020 B 41 PHE HB3 H 1 2.914 0.020 B 41 PHE HD1 H 1 7.318 0.020 B 41 PHE HD2 H 1 7.318 0.020 B 41 PHE HE1 H 1 7.477 0.020 B 41 PHE HE2 H 1 7.477 0.020 B 41 PHE C C 13 175.698 0.300 B 41 PHE CA C 13 57.571 0.300 B 41 PHE CB C 13 43.785 0.300 B 41 PHE CD1 C 13 131.693 0.300 B 41 PHE CE1 C 13 131.944 0.300 B 41 PHE N N 15 118.973 0.300 B 42 LYS H H 1 8.917 0.020 B 42 LYS HA H 1 4.714 0.020 B 42 LYS HB2 H 1 1.726 0.020 B 42 LYS HB3 H 1 1.857 0.020 B 42 LYS HDx H 1 1.719 0.020 B 42 LYS HDy H 1 1.719 0.020 B 42 LYS HEx H 1 3.012 0.020 B 42 LYS HEy H 1 3.012 0.020 B 42 LYS HGx H 1 1.438 0.020 B 42 LYS HGy H 1 1.438 0.020 B 42 LYS CA C 13 55.518 0.300 B 42 LYS CB C 13 34.516 0.300 B 42 LYS CD C 13 29.382 0.300 B 42 LYS CE C 13 42.274 0.300 B 42 LYS CG C 13 24.694 0.300 B 42 LYS N N 15 122.923 0.300 B 43 GLY H H 1 8.640 0.020 B 43 GLY HAx H 1 3.909 0.020 B 43 GLY HAy H 1 3.909 0.020 B 43 GLY C C 13 173.386 0.300 B 43 GLY CA C 13 46.161 0.300 B 43 GLY N N 15 111.215 0.300 B 44 ALA H H 1 8.298 0.020 B 44 ALA HA H 1 4.544 0.020 B 44 ALA HB% H 1 0.984 0.020 B 44 ALA C C 13 176.788 0.300 B 44 ALA CA C 13 50.373 0.300 B 44 ALA CB C 13 20.611 0.300 B 44 ALA N N 15 122.907 0.300 B 45 ALA H H 1 8.210 0.020 B 45 ALA HA H 1 4.035 0.020 B 45 ALA HB% H 1 1.219 0.020 B 45 ALA C C 13 175.955 0.300 B 45 ALA CA C 13 53.626 0.300 B 45 ALA CB C 13 18.560 0.300 B 45 ALA N N 15 120.692 0.300 B 46 TYR H H 1 6.261 0.020 B 46 TYR HA H 1 4.956 0.020 B 46 TYR HB2 H 1 2.893 0.020 B 46 TYR HB3 H 1 3.217 0.020 B 46 TYR HD1 H 1 6.612 0.020 B 46 TYR HD2 H 1 6.612 0.020 B 46 TYR HE1 H 1 5.739 0.020 B 46 TYR HE2 H 1 5.739 0.020 B 46 TYR C C 13 174.360 0.300 B 46 TYR CA C 13 53.066 0.300 B 46 TYR CB C 13 39.081 0.300 B 46 TYR CD1 C 13 134.219 0.300 B 46 TYR CE1 C 13 119.026 0.300 B 46 TYR N N 15 112.697 0.300 B 47 LYS H H 1 10.799 0.020 B 47 LYS HA H 1 4.854 0.020 B 47 LYS HB2 H 1 1.886 0.020 B 47 LYS HB3 H 1 2.054 0.020 B 47 LYS HDx H 1 1.823 0.020 B 47 LYS HDy H 1 1.823 0.020 B 47 LYS HEx H 1 3.105 0.020 B 47 LYS HEy H 1 3.105 0.020 B 47 LYS HGx H 1 1.687 0.020 B 47 LYS HGy H 1 1.687 0.020 B 47 LYS C C 13 177.351 0.300 B 47 LYS CA C 13 57.065 0.300 B 47 LYS CB C 13 34.931 0.300 B 47 LYS CD C 13 29.171 0.300 B 47 LYS CE C 13 42.515 0.300 B 47 LYS CG C 13 25.419 0.300 B 47 LYS N N 15 121.093 0.300 B 48 LEU H H 1 9.238 0.020 B 48 LEU HA H 1 5.440 0.020 B 48 LEU HB2 H 1 1.348 0.020 B 48 LEU HB3 H 1 1.859 0.020 B 48 LEU HDx% H 1 0.829 0.020 B 48 LEU HDy% H 1 0.931 0.020 B 48 LEU HG H 1 1.449 0.020 B 48 LEU C C 13 173.222 0.300 B 48 LEU CA C 13 54.159 0.300 B 48 LEU CB C 13 47.382 0.300 B 48 LEU CD1 C 13 26.737 0.300 B 48 LEU CD2 C 13 23.935 0.300 B 48 LEU CG C 13 27.062 0.300 B 48 LEU N N 15 124.300 0.300 B 49 ARG H H 1 9.325 0.020 B 49 ARG HA H 1 5.456 0.020 B 49 ARG HB2 H 1 1.572 0.020 B 49 ARG HB3 H 1 2.155 0.020 B 49 ARG HD2 H 1 3.168 0.020 B 49 ARG HD3 H 1 3.362 0.020 B 49 ARG HG2 H 1 0.849 0.020 B 49 ARG HG3 H 1 1.012 0.020 B 49 ARG C C 13 175.416 0.300 B 49 ARG CA C 13 53.215 0.300 B 49 ARG CB C 13 35.616 0.300 B 49 ARG CD C 13 44.448 0.300 B 49 ARG CG C 13 25.660 0.300 B 49 ARG N N 15 124.973 0.300 B 50 ILE H H 1 9.753 0.020 B 50 ILE HA H 1 4.787 0.020 B 50 ILE HB H 1 1.578 0.020 B 50 ILE HD1% H 1 0.662 0.020 B 50 ILE HG12 H 1 0.833 0.020 B 50 ILE HG13 H 1 1.448 0.020 B 50 ILE HG2% H 1 0.688 0.020 B 50 ILE C C 13 173.210 0.300 B 50 ILE CA C 13 59.944 0.300 B 50 ILE CB C 13 40.257 0.300 B 50 ILE CD1 C 13 14.505 0.300 B 50 ILE CG1 C 13 27.291 0.300 B 50 ILE CG2 C 13 18.225 0.300 B 50 ILE N N 15 128.927 0.300 B 51 LEU H H 1 9.008 0.020 B 51 LEU HA H 1 4.957 0.020 B 51 LEU HBx H 1 1.335 0.020 B 51 LEU HBy H 1 1.335 0.020 B 51 LEU HDx% H 1 0.575 0.020 B 51 LEU HDy% H 1 0.606 0.020 B 51 LEU HG H 1 1.271 0.020 B 51 LEU C C 13 175.955 0.300 B 51 LEU CA C 13 53.519 0.300 B 51 LEU CB C 13 45.100 0.300 B 51 LEU CD1 C 13 25.084 0.300 B 51 LEU CD2 C 13 25.876 0.300 B 51 LEU CG C 13 27.262 0.300 B 51 LEU N N 15 129.135 0.300 B 52 ILE H H 1 8.788 0.020 B 52 ILE HA H 1 4.924 0.020 B 52 ILE HB H 1 1.617 0.020 B 52 ILE HD1% H 1 0.522 0.020 B 52 ILE HG12 H 1 0.868 0.020 B 52 ILE HG13 H 1 1.308 0.020 B 52 ILE HG2% H 1 0.528 0.020 B 52 ILE C C 13 174.383 0.300 B 52 ILE CA C 13 59.944 0.300 B 52 ILE CB C 13 39.704 0.300 B 52 ILE CD1 C 13 15.367 0.300 B 52 ILE CG1 C 13 27.473 0.300 B 52 ILE CG2 C 13 18.189 0.300 B 52 ILE N N 15 123.418 0.300 B 53 GLU H H 1 8.930 0.020 B 53 GLU HA H 1 5.107 0.020 B 53 GLU HB2 H 1 1.890 0.020 B 53 GLU HB3 H 1 1.969 0.020 B 53 GLU HGx H 1 2.175 0.020 B 53 GLU HGy H 1 2.175 0.020 B 53 GLU C C 13 175.791 0.300 B 53 GLU CA C 13 54.428 0.300 B 53 GLU CB C 13 33.478 0.300 B 53 GLU CG C 13 35.909 0.300 B 53 GLU N N 15 127.214 0.300 B 54 ASN H H 1 8.652 0.020 B 54 ASN HA H 1 4.952 0.020 B 54 ASN HB2 H 1 2.868 0.020 B 54 ASN HB3 H 1 3.229 0.020 B 54 ASN HD21 H 1 6.726 0.020 B 54 ASN HD22 H 1 8.196 0.020 B 54 ASN C C 13 175.897 0.300 B 54 ASN CA C 13 52.559 0.300 B 54 ASN CB C 13 38.804 0.300 B 54 ASN CG C 13 175.868 0.300 B 54 ASN N N 15 123.147 0.300 B 54 ASN ND2 N 15 112.356 0.300 B 55 LYS H H 1 8.953 0.020 B 55 LYS HA H 1 4.320 0.020 B 55 LYS HB2 H 1 1.617 0.020 B 55 LYS HB3 H 1 2.007 0.020 B 55 LYS HDx H 1 1.587 0.020 B 55 LYS HDy H 1 1.587 0.020 B 55 LYS HE2 H 1 2.853 0.020 B 55 LYS HE3 H 1 2.943 0.020 B 55 LYS HGx H 1 1.460 0.020 B 55 LYS HGy H 1 1.460 0.020 B 55 LYS C C 13 176.084 0.300 B 55 LYS CA C 13 55.065 0.300 B 55 LYS CB C 13 31.679 0.300 B 55 LYS CD C 13 28.016 0.300 B 55 LYS CE C 13 41.780 0.300 B 55 LYS CG C 13 24.094 0.300 B 55 LYS N N 15 125.009 0.300 B 56 ALA H H 1 8.248 0.020 B 56 ALA HA H 1 4.776 0.020 B 56 ALA HB% H 1 1.366 0.020 B 56 ALA C C 13 175.768 0.300 B 56 ALA CA C 13 49.840 0.300 B 56 ALA CB C 13 19.074 0.300 B 56 ALA N N 15 125.261 0.300 B 57 PRO HA H 1 4.311 0.020 B 57 PRO HB2 H 1 1.955 0.020 B 57 PRO HB3 H 1 2.252 0.020 B 57 PRO HD2 H 1 3.753 0.020 B 57 PRO HD3 H 1 3.855 0.020 B 57 PRO HG2 H 1 1.999 0.020 B 57 PRO HG3 H 1 2.183 0.020 B 57 PRO C C 13 177.082 0.300 B 57 PRO CA C 13 64.156 0.300 B 57 PRO CB C 13 31.547 0.300 B 57 PRO CD C 13 50.913 0.300 B 57 PRO CG C 13 27.237 0.300 B 58 ASN H H 1 8.592 0.020 B 58 ASN HA H 1 4.794 0.020 B 58 ASN HB2 H 1 2.716 0.020 B 58 ASN HB3 H 1 2.895 0.020 B 58 ASN HD21 H 1 6.903 0.020 B 58 ASN HD22 H 1 7.648 0.020 B 58 ASN C C 13 175.040 0.300 B 58 ASN CA C 13 52.799 0.300 B 58 ASN CB C 13 38.459 0.300 B 58 ASN CG C 13 177.497 0.300 B 58 ASN N N 15 116.600 0.300 B 58 ASN ND2 N 15 113.619 0.300 B 59 SER H H 1 7.875 0.020 B 59 SER HA H 1 4.325 0.020 B 59 SER HB2 H 1 3.771 0.020 B 59 SER HB3 H 1 3.869 0.020 B 59 SER C C 13 174.911 0.300 B 59 SER CA C 13 58.398 0.300 B 59 SER CB C 13 64.261 0.300 B 59 SER N N 15 114.534 0.300 B 60 LYS H H 1 8.372 0.020 B 60 LYS HA H 1 4.472 0.020 B 60 LYS HB2 H 1 1.702 0.020 B 60 LYS HB3 H 1 1.792 0.020 B 60 LYS HEx H 1 2.988 0.020 B 60 LYS HEy H 1 2.988 0.020 B 60 LYS HGx H 1 1.477 0.020 B 60 LYS HGy H 1 1.477 0.020 B 60 LYS C C 13 174.090 0.300 B 60 LYS CA C 13 54.932 0.300 B 60 LYS CB C 13 31.472 0.300 B 60 LYS CD C 13 29.017 0.300 B 60 LYS CE C 13 41.899 0.300 B 60 LYS CG C 13 24.482 0.300 B 60 LYS N N 15 123.357 0.300 B 61 PRO HA H 1 4.280 0.020 B 61 PRO HBx H 1 2.294 0.020 B 61 PRO HBy H 1 2.294 0.020 B 61 PRO HDx H 1 3.563 0.020 B 61 PRO HDy H 1 3.563 0.020 B 61 PRO HGx H 1 2.070 0.020 B 61 PRO HGy H 1 2.070 0.020 B 61 PRO C C 13 176.706 0.300 B 61 PRO CA C 13 63.442 0.300 B 61 PRO CB C 13 31.893 0.300 B 61 PRO CD C 13 50.550 0.300 B 61 PRO CG C 13 27.463 0.300 B 62 ASP H H 1 8.351 0.020 B 62 ASP HA H 1 4.280 0.020 B 62 ASP HB2 H 1 1.599 0.020 B 62 ASP HB3 H 1 2.059 0.020 B 62 ASP C C 13 175.510 0.300 B 62 ASP CA C 13 54.885 0.300 B 62 ASP CB C 13 43.004 0.300 B 62 ASP N N 15 122.238 0.300 B 63 ARG H H 1 8.212 0.020 B 63 ARG HA H 1 4.285 0.020 B 63 ARG HBx H 1 1.709 0.020 B 63 ARG HBy H 1 1.709 0.020 B 63 ARG HDx H 1 3.161 0.020 B 63 ARG HDy H 1 3.161 0.020 B 63 ARG HG2 H 1 1.477 0.020 B 63 ARG HG3 H 1 1.552 0.020 B 63 ARG C C 13 174.829 0.300 B 63 ARG CA C 13 54.905 0.300 B 63 ARG CB C 13 30.988 0.300 B 63 ARG CD C 13 43.062 0.300 B 63 ARG CG C 13 26.577 0.300 B 63 ARG N N 15 120.805 0.300 B 64 PHE H H 1 8.696 0.020 B 64 PHE HA H 1 4.876 0.020 B 64 PHE HB2 H 1 2.747 0.020 B 64 PHE HB3 H 1 2.807 0.020 B 64 PHE HD1 H 1 6.737 0.020 B 64 PHE HD2 H 1 6.737 0.020 B 64 PHE HE1 H 1 6.602 0.020 B 64 PHE HE2 H 1 6.602 0.020 B 64 PHE C C 13 175.275 0.300 B 64 PHE CA C 13 56.318 0.300 B 64 PHE CB C 13 41.018 0.300 B 64 PHE CD1 C 13 131.247 0.300 B 64 PHE CE1 C 13 131.523 0.300 B 64 PHE N N 15 122.141 0.300 B 65 SER H H 1 8.879 0.020 B 65 SER HA H 1 4.874 0.020 B 65 SER HB2 H 1 3.779 0.020 B 65 SER HB3 H 1 3.949 0.020 B 65 SER C C 13 181.939 0.300 B 65 SER CA C 13 54.742 0.300 B 65 SER CB C 13 63.254 0.300 B 65 SER N N 15 116.891 0.300 B 66 PRO HA H 1 5.279 0.020 B 66 PRO HB2 H 1 1.871 0.020 B 66 PRO HB3 H 1 2.076 0.020 B 66 PRO HD2 H 1 3.474 0.020 B 66 PRO HD3 H 1 3.792 0.020 B 66 PRO HGx H 1 1.520 0.020 B 66 PRO HGy H 1 1.520 0.020 B 66 PRO C C 13 176.800 0.300 B 66 PRO CA C 13 62.406 0.300 B 66 PRO CB C 13 32.930 0.300 B 66 PRO CD C 13 50.248 0.300 B 66 PRO CG C 13 28.137 0.300 B 67 SER H H 1 9.261 0.020 B 67 SER HA H 1 5.267 0.020 B 67 SER HB2 H 1 3.562 0.020 B 67 SER HB3 H 1 3.779 0.020 B 67 SER C C 13 172.260 0.300 B 67 SER CA C 13 57.385 0.300 B 67 SER CB C 13 65.666 0.300 B 67 SER N N 15 115.569 0.300 B 68 TYR H H 1 9.221 0.020 B 68 TYR HA H 1 5.335 0.020 B 68 TYR HB2 H 1 2.612 0.020 B 68 TYR HB3 H 1 2.733 0.020 B 68 TYR HD1 H 1 6.531 0.020 B 68 TYR HD2 H 1 6.531 0.020 B 68 TYR HE1 H 1 6.504 0.020 B 68 TYR HE2 H 1 6.504 0.020 B 68 TYR C C 13 173.234 0.300 B 68 TYR CA C 13 56.185 0.300 B 68 TYR CB C 13 41.710 0.300 B 68 TYR CD1 C 13 131.970 0.300 B 68 TYR CE1 C 13 117.815 0.300 B 68 TYR N N 15 122.280 0.300 B 69 ASN H H 1 8.078 0.020 B 69 ASN HA H 1 4.875 0.020 B 69 ASN HB2 H 1 2.640 0.020 B 69 ASN HB3 H 1 2.834 0.020 B 69 ASN HD21 H 1 6.881 0.020 B 69 ASN HD22 H 1 7.444 0.020 B 69 ASN C C 13 174.430 0.300 B 69 ASN CA C 13 51.706 0.300 B 69 ASN CB C 13 39.496 0.300 B 69 ASN CG C 13 175.781 0.300 B 69 ASN N N 15 127.676 0.300 B 69 ASN ND2 N 15 112.425 0.300 B 70 PHE H H 1 7.960 0.020 B 70 PHE HA H 1 4.019 0.020 B 70 PHE HB2 H 1 3.069 0.020 B 70 PHE HB3 H 1 3.217 0.020 B 70 PHE HD1 H 1 7.388 0.020 B 70 PHE HD2 H 1 7.388 0.020 B 70 PHE HE1 H 1 7.390 0.020 B 70 PHE HE2 H 1 7.390 0.020 B 70 PHE C C 13 176.941 0.300 B 70 PHE CA C 13 59.757 0.300 B 70 PHE CB C 13 39.427 0.300 B 70 PHE CD1 C 13 132.377 0.300 B 70 PHE CE1 C 13 131.736 0.300 B 70 PHE N N 15 123.918 0.300 B 71 ALA H H 1 8.124 0.020 B 71 ALA HA H 1 4.054 0.020 B 71 ALA HB% H 1 1.402 0.020 B 71 ALA C C 13 179.709 0.300 B 71 ALA CA C 13 54.905 0.300 B 71 ALA CB C 13 18.473 0.300 B 71 ALA N N 15 122.848 0.300 B 72 GLU H H 1 7.548 0.020 B 72 GLU HA H 1 4.241 0.020 B 72 GLU HB2 H 1 1.431 0.020 B 72 GLU HB3 H 1 2.115 0.020 B 72 GLU HGx H 1 2.114 0.020 B 72 GLU HGy H 1 2.114 0.020 B 72 GLU C C 13 176.037 0.300 B 72 GLU CA C 13 55.545 0.300 B 72 GLU CB C 13 31.404 0.300 B 72 GLU CG C 13 36.376 0.300 B 72 GLU N N 15 113.303 0.300 B 73 ASN H H 1 7.961 0.020 B 73 ASN HA H 1 4.294 0.020 B 73 ASN HB2 H 1 2.558 0.020 B 73 ASN HB3 H 1 3.406 0.020 B 73 ASN HD21 H 1 6.638 0.020 B 73 ASN HD22 H 1 7.047 0.020 B 73 ASN C C 13 173.480 0.300 B 73 ASN CA C 13 53.706 0.300 B 73 ASN CB C 13 36.937 0.300 B 73 ASN CG C 13 177.796 0.300 B 73 ASN N N 15 119.281 0.300 B 73 ASN ND2 N 15 113.559 0.300 B 74 ILE H H 1 7.088 0.020 B 74 ILE HA H 1 4.468 0.020 B 74 ILE HB H 1 1.317 0.020 B 74 ILE HD1% H 1 0.738 0.020 B 74 ILE HG12 H 1 0.636 0.020 B 74 ILE HG13 H 1 1.447 0.020 B 74 ILE HG2% H 1 0.346 0.020 B 74 ILE C C 13 173.480 0.300 B 74 ILE CA C 13 59.817 0.300 B 74 ILE CB C 13 42.818 0.300 B 74 ILE CD1 C 13 13.122 0.300 B 74 ILE CG1 C 13 27.498 0.300 B 74 ILE CG2 C 13 17.300 0.300 B 74 ILE N N 15 115.853 0.300 B 75 LEU H H 1 8.513 0.020 B 75 LEU HA H 1 5.058 0.020 B 75 LEU HB2 H 1 1.216 0.020 B 75 LEU HB3 H 1 1.931 0.020 B 75 LEU HDx% H 1 0.732 0.020 B 75 LEU HDy% H 1 0.810 0.020 B 75 LEU HG H 1 1.418 0.020 B 75 LEU C C 13 174.383 0.300 B 75 LEU CA C 13 53.066 0.300 B 75 LEU CB C 13 44.448 0.300 B 75 LEU CD1 C 13 26.736 0.300 B 75 LEU CD2 C 13 24.143 0.300 B 75 LEU CG C 13 26.971 0.300 B 75 LEU N N 15 128.240 0.300 B 76 TYR H H 1 9.413 0.020 B 76 TYR HA H 1 4.573 0.020 B 76 TYR HB2 H 1 2.908 0.020 B 76 TYR HB3 H 1 3.083 0.020 B 76 TYR HD1 H 1 7.044 0.020 B 76 TYR HD2 H 1 7.044 0.020 B 76 TYR HE1 H 1 6.642 0.020 B 76 TYR HE2 H 1 6.642 0.020 B 76 TYR C C 13 175.052 0.300 B 76 TYR CA C 13 58.451 0.300 B 76 TYR CB C 13 38.874 0.300 B 76 TYR CD1 C 13 133.645 0.300 B 76 TYR CE1 C 13 117.746 0.300 B 76 TYR N N 15 130.391 0.300 B 77 ILE H H 1 8.320 0.020 B 77 ILE HA H 1 3.998 0.020 B 77 ILE HB H 1 1.792 0.020 B 77 ILE HD1% H 1 0.350 0.020 B 77 ILE HG12 H 1 0.888 0.020 B 77 ILE HG13 H 1 1.279 0.020 B 77 ILE HG2% H 1 0.517 0.020 B 77 ILE C C 13 174.782 0.300 B 77 ILE CA C 13 60.610 0.300 B 77 ILE CB C 13 35.992 0.300 B 77 ILE CD1 C 13 8.961 0.300 B 77 ILE CG1 C 13 25.753 0.300 B 77 ILE CG2 C 13 17.981 0.300 B 77 ILE N N 15 124.110 0.300 B 78 ASN H H 1 8.008 0.020 B 78 ASN HA H 1 4.351 0.020 B 78 ASN HB2 H 1 3.228 0.020 B 78 ASN HB3 H 1 3.466 0.020 B 78 ASN HD21 H 1 6.352 0.020 B 78 ASN HD22 H 1 7.243 0.020 B 78 ASN C C 13 175.134 0.300 B 78 ASN CA C 13 52.598 0.300 B 78 ASN CB C 13 37.559 0.300 B 78 ASN CG C 13 175.768 0.300 B 78 ASN N N 15 114.344 0.300 B 78 ASN ND2 N 15 108.594 0.300 B 79 GLY HAx H 1 3.923 0.020 B 79 GLY HAy H 1 3.923 0.020 B 79 GLY C C 13 174.137 0.300 B 79 GLY CA C 13 46.934 0.300 B 80 LYS H H 1 7.980 0.020 B 80 LYS HA H 1 4.581 0.020 B 80 LYS HB2 H 1 1.846 0.020 B 80 LYS HB3 H 1 2.063 0.020 B 80 LYS HDx H 1 1.736 0.020 B 80 LYS HDy H 1 1.736 0.020 B 80 LYS HE2 H 1 3.011 0.020 B 80 LYS HE3 H 1 3.045 0.020 B 80 LYS HGx H 1 1.475 0.020 B 80 LYS HGy H 1 1.475 0.020 B 80 LYS C C 13 175.721 0.300 B 80 LYS CA C 13 55.438 0.300 B 80 LYS CB C 13 34.284 0.300 B 80 LYS CD C 13 28.922 0.300 B 80 LYS CE C 13 42.091 0.300 B 80 LYS CG C 13 24.780 0.300 B 80 LYS N N 15 117.097 0.300 B 81 LEU H H 1 7.571 0.020 B 81 LEU HA H 1 4.743 0.020 B 81 LEU HBx H 1 1.234 0.020 B 81 LEU HBy H 1 1.234 0.020 B 81 LEU HDx% H 1 0.313 0.020 B 81 LEU HDy% H 1 0.702 0.020 B 81 LEU HG H 1 0.973 0.020 B 81 LEU C C 13 173.257 0.300 B 81 LEU CA C 13 55.026 0.300 B 81 LEU CB C 13 44.269 0.300 B 81 LEU CD1 C 13 25.689 0.300 B 81 LEU CD2 C 13 22.869 0.300 B 81 LEU CG C 13 26.800 0.300 B 81 LEU N N 15 122.332 0.300 B 82 SER H H 1 8.553 0.020 B 82 SER HA H 1 4.903 0.020 B 82 SER HB2 H 1 3.496 0.020 B 82 SER HB3 H 1 3.678 0.020 B 82 SER C C 13 172.596 0.300 B 82 SER CA C 13 57.571 0.300 B 82 SER CB C 13 66.296 0.300 B 82 SER N N 15 123.187 0.300 B 83 ILE H H 1 9.056 0.020 B 83 ILE HA H 1 4.582 0.020 B 83 ILE HB H 1 1.843 0.020 B 83 ILE HD1% H 1 0.648 0.020 B 83 ILE HG12 H 1 1.037 0.020 B 83 ILE HG13 H 1 1.252 0.020 B 83 ILE HG2% H 1 0.739 0.020 B 83 ILE C C 13 173.205 0.300 B 83 ILE CA C 13 57.771 0.300 B 83 ILE CB C 13 41.049 0.300 B 83 ILE CD1 C 13 14.235 0.300 B 83 ILE CG1 C 13 26.731 0.300 B 83 ILE CG2 C 13 17.097 0.300 B 83 ILE N N 15 122.240 0.300 B 84 PRO HA H 1 4.670 0.020 B 84 PRO HB2 H 1 1.929 0.020 B 84 PRO HB3 H 1 2.279 0.020 B 84 PRO HDx H 1 3.823 0.020 B 84 PRO HDy H 1 3.823 0.020 B 84 PRO HGx H 1 2.180 0.020 B 84 PRO HGy H 1 2.180 0.020 B 84 PRO C C 13 176.389 0.300 B 84 PRO CA C 13 62.348 0.300 B 84 PRO CB C 13 31.334 0.300 B 84 PRO CD C 13 51.335 0.300 B 84 PRO CG C 13 27.533 0.300 B 85 LEU H H 1 8.050 0.020 B 85 LEU HA H 1 4.637 0.020 B 85 LEU HB2 H 1 1.183 0.020 B 85 LEU HB3 H 1 1.849 0.020 B 85 LEU HDx% H 1 0.671 0.020 B 85 LEU HDy% H 1 0.795 0.020 B 85 LEU HG H 1 1.731 0.020 B 85 LEU C C 13 174.656 0.300 B 85 LEU CA C 13 52.383 0.300 B 85 LEU CB C 13 40.113 0.300 B 85 LEU CD1 C 13 23.186 0.300 B 85 LEU CD2 C 13 26.555 0.300 B 85 LEU CG C 13 26.854 0.300 B 85 LEU N N 15 124.791 0.300 B 86 PRO HA H 1 4.477 0.020 B 86 PRO HB2 H 1 1.982 0.020 B 86 PRO HB3 H 1 2.434 0.020 B 86 PRO HD2 H 1 3.298 0.020 B 86 PRO HD3 H 1 3.686 0.020 B 86 PRO HG2 H 1 1.962 0.020 B 86 PRO HG3 H 1 2.102 0.020 B 86 PRO C C 13 177.574 0.300 B 86 PRO CA C 13 62.816 0.300 B 86 PRO CB C 13 32.169 0.300 B 86 PRO CD C 13 50.188 0.300 B 86 PRO CG C 13 27.835 0.300 B 87 ARG H H 1 8.640 0.020 B 87 ARG HA H 1 4.140 0.020 B 87 ARG HB2 H 1 1.847 0.020 B 87 ARG HB3 H 1 1.954 0.020 B 87 ARG HDx H 1 3.260 0.020 B 87 ARG HDy H 1 3.260 0.020 B 87 ARG HG2 H 1 1.759 0.020 B 87 ARG HG3 H 1 1.791 0.020 B 87 ARG C C 13 176.295 0.300 B 87 ARG CA C 13 57.465 0.300 B 87 ARG CB C 13 30.157 0.300 B 87 ARG CD C 13 43.266 0.300 B 87 ARG CG C 13 27.231 0.300 B 87 ARG N N 15 119.930 0.300 B 88 ASP H H 1 8.635 0.020 B 88 ASP HA H 1 4.507 0.020 B 88 ASP HB2 H 1 2.577 0.020 B 88 ASP HB3 H 1 2.868 0.020 B 88 ASP C C 13 175.101 0.300 B 88 ASP CA C 13 53.839 0.300 B 88 ASP CB C 13 39.565 0.300 B 88 ASP N N 15 114.740 0.300 B 89 ILE H H 1 7.214 0.020 B 89 ILE HA H 1 4.270 0.020 B 89 ILE HB H 1 1.844 0.020 B 89 ILE HD1% H 1 0.762 0.020 B 89 ILE HG12 H 1 1.185 0.020 B 89 ILE HG13 H 1 1.367 0.020 B 89 ILE HG2% H 1 0.787 0.020 B 89 ILE C C 13 174.340 0.300 B 89 ILE CA C 13 59.810 0.300 B 89 ILE CB C 13 38.832 0.300 B 89 ILE CD1 C 13 13.121 0.300 B 89 ILE CG1 C 13 26.600 0.300 B 89 ILE CG2 C 13 17.373 0.300 B 89 ILE N N 15 118.493 0.300 B 90 VAL H H 1 8.339 0.020 B 90 VAL HA H 1 4.038 0.020 B 90 VAL HB H 1 1.930 0.020 B 90 VAL HGx% H 1 0.818 0.020 B 90 VAL HGy% H 1 0.886 0.020 B 90 VAL C C 13 175.593 0.300 B 90 VAL CA C 13 62.396 0.300 B 90 VAL CB C 13 31.887 0.300 B 90 VAL CG1 C 13 21.037 0.300 B 90 VAL CG2 C 13 21.064 0.300 B 90 VAL N N 15 126.767 0.300 B 91 VAL H H 1 8.545 0.020 B 91 VAL HA H 1 3.937 0.020 B 91 VAL HB H 1 1.864 0.020 B 91 VAL HGx% H 1 0.267 0.020 B 91 VAL HGy% H 1 0.712 0.020 B 91 VAL C C 13 174.773 0.300 B 91 VAL CA C 13 62.298 0.300 B 91 VAL CB C 13 32.924 0.300 B 91 VAL CG1 C 13 20.860 0.300 B 91 VAL CG2 C 13 21.273 0.300 B 91 VAL N N 15 128.204 0.300 B 92 ASN H H 1 8.492 0.020 B 92 ASN HA H 1 4.984 0.020 B 92 ASN HB2 H 1 2.693 0.020 B 92 ASN HB3 H 1 2.935 0.020 B 92 ASN HD21 H 1 6.926 0.020 B 92 ASN HD22 H 1 7.720 0.020 B 92 ASN C C 13 176.131 0.300 B 92 ASN CA C 13 51.680 0.300 B 92 ASN CB C 13 39.635 0.300 B 92 ASN CG C 13 176.863 0.300 B 92 ASN N N 15 124.274 0.300 B 92 ASN ND2 N 15 113.812 0.300 B 93 ALA H H 1 9.258 0.020 B 93 ALA HA H 1 3.667 0.020 B 93 ALA HB% H 1 1.488 0.020 B 93 ALA C C 13 178.216 0.300 B 93 ALA CA C 13 55.518 0.300 B 93 ALA CB C 13 18.645 0.300 B 93 ALA N N 15 127.980 0.300 B 94 ALA H H 1 8.193 0.020 B 94 ALA HA H 1 4.167 0.020 B 94 ALA HB% H 1 1.389 0.020 B 94 ALA C C 13 177.818 0.300 B 94 ALA CA C 13 53.759 0.300 B 94 ALA CB C 13 18.337 0.300 B 94 ALA N N 15 116.387 0.300 B 95 ASP H H 1 7.836 0.020 B 95 ASP HA H 1 4.746 0.020 B 95 ASP HB2 H 1 2.693 0.020 B 95 ASP HB3 H 1 3.069 0.020 B 95 ASP C C 13 176.108 0.300 B 95 ASP CA C 13 54.452 0.300 B 95 ASP CB C 13 42.056 0.300 B 95 ASP N N 15 115.714 0.300 B 96 ILE H H 1 7.169 0.020 B 96 ILE HA H 1 4.112 0.020 B 96 ILE HB H 1 1.778 0.020 B 96 ILE HD1% H 1 0.394 0.020 B 96 ILE HG12 H 1 0.734 0.020 B 96 ILE HG13 H 1 0.913 0.020 B 96 ILE HG2% H 1 0.656 0.020 B 96 ILE C C 13 175.148 0.300 B 96 ILE CA C 13 63.189 0.300 B 96 ILE CB C 13 37.628 0.300 B 96 ILE CD1 C 13 12.704 0.300 B 96 ILE CG1 C 13 27.106 0.300 B 96 ILE CG2 C 13 16.840 0.300 B 96 ILE N N 15 120.270 0.300 B 97 LYS H H 1 8.664 0.020 B 97 LYS HA H 1 4.377 0.020 B 97 LYS HB2 H 1 1.354 0.020 B 97 LYS HB3 H 1 1.819 0.020 B 97 LYS HDx H 1 1.496 0.020 B 97 LYS HDy H 1 1.496 0.020 B 97 LYS HEx H 1 3.001 0.020 B 97 LYS HEy H 1 3.001 0.020 B 97 LYS HGx H 1 1.491 0.020 B 97 LYS HGy H 1 1.491 0.020 B 97 LYS C C 13 174.340 0.300 B 97 LYS CA C 13 53.804 0.300 B 97 LYS CB C 13 33.962 0.300 B 97 LYS CD C 13 28.197 0.300 B 97 LYS CE C 13 42.331 0.300 B 97 LYS CG C 13 23.762 0.300 B 97 LYS N N 15 129.076 0.300 B 98 ILE H H 1 8.064 0.020 B 98 ILE HA H 1 4.925 0.020 B 98 ILE HB H 1 2.041 0.020 B 98 ILE HD1% H 1 0.515 0.020 B 98 ILE HG12 H 1 0.840 0.020 B 98 ILE HG13 H 1 1.466 0.020 B 98 ILE HG2% H 1 0.645 0.020 B 98 ILE C C 13 174.293 0.300 B 98 ILE CA C 13 60.877 0.300 B 98 ILE CB C 13 37.952 0.300 B 98 ILE CD1 C 13 13.914 0.300 B 98 ILE CG1 C 13 27.062 0.300 B 98 ILE CG2 C 13 18.612 0.300 B 98 ILE N N 15 121.555 0.300 B 99 PHE H H 1 9.404 0.020 B 99 PHE HA H 1 5.792 0.020 B 99 PHE HB2 H 1 2.743 0.020 B 99 PHE HB3 H 1 2.855 0.020 B 99 PHE HD1 H 1 7.342 0.020 B 99 PHE HD2 H 1 7.342 0.020 B 99 PHE C C 13 174.574 0.300 B 99 PHE CA C 13 55.352 0.300 B 99 PHE CB C 13 42.609 0.300 B 99 PHE CD1 C 13 128.393 0.300 B 99 PHE N N 15 125.411 0.300 B 100 HIS H H 1 9.213 0.020 B 100 HIS HA H 1 5.529 0.020 B 100 HIS HB2 H 1 2.631 0.020 B 100 HIS HB3 H 1 3.164 0.020 B 100 HIS HD2 H 1 7.065 0.020 B 100 HIS HE1 H 1 7.883 0.020 B 100 HIS C C 13 174.223 0.300 B 100 HIS CA C 13 53.120 0.300 B 100 HIS CB C 13 33.616 0.300 B 100 HIS CD2 C 13 120.173 0.300 B 100 HIS CE1 C 13 138.451 0.300 B 100 HIS N N 15 122.941 0.300 B 100 HIS ND1 N 15 221.709 0.300 B 100 HIS NE2 N 15 182.566 0.300 B 101 ILE H H 1 8.506 0.020 B 101 ILE HA H 1 4.884 0.020 B 101 ILE HB H 1 2.115 0.020 B 101 ILE HD1% H 1 0.590 0.020 B 101 ILE HG12 H 1 0.910 0.020 B 101 ILE HG13 H 1 1.427 0.020 B 101 ILE HG2% H 1 0.929 0.020 B 101 ILE C C 13 176.705 0.300 B 101 ILE CA C 13 60.182 0.300 B 101 ILE CB C 13 36.314 0.300 B 101 ILE CD1 C 13 12.779 0.300 B 101 ILE CG1 C 13 26.196 0.300 B 101 ILE CG2 C 13 18.744 0.300 B 101 ILE N N 15 127.582 0.300 B 102 ARG H H 1 8.736 0.020 B 102 ARG HA H 1 3.685 0.020 B 102 ARG HB2 H 1 1.661 0.020 B 102 ARG HB3 H 1 1.715 0.020 B 102 ARG HDx H 1 3.211 0.020 B 102 ARG HDy H 1 3.211 0.020 B 102 ARG HG2 H 1 1.433 0.020 B 102 ARG HG3 H 1 1.521 0.020 B 102 ARG C C 13 180.569 0.300 B 102 ARG CA C 13 60.332 0.300 B 102 ARG CB C 13 29.673 0.300 B 102 ARG CD C 13 43.251 0.300 B 102 ARG CG C 13 27.346 0.300 B 102 ARG N N 15 129.451 0.300 B 103 LYS H H 1 9.136 0.020 B 103 LYS HA H 1 4.176 0.020 B 103 LYS HB2 H 1 1.854 0.020 B 103 LYS HB3 H 1 1.987 0.020 B 103 LYS HDx H 1 1.732 0.020 B 103 LYS HDy H 1 1.732 0.020 B 103 LYS HEx H 1 3.045 0.020 B 103 LYS HEy H 1 3.045 0.020 B 103 LYS HGx H 1 1.477 0.020 B 103 LYS HGy H 1 1.477 0.020 B 103 LYS C C 13 176.986 0.300 B 103 LYS CA C 13 59.068 0.300 B 103 LYS CB C 13 32.063 0.300 B 103 LYS CD C 13 29.170 0.300 B 103 LYS CE C 13 41.883 0.300 B 103 LYS CG C 13 24.969 0.300 B 103 LYS N N 15 118.234 0.300 B 104 GLU H H 1 7.139 0.020 B 104 GLU HA H 1 4.583 0.020 B 104 GLU HB2 H 1 1.968 0.020 B 104 GLU HB3 H 1 2.467 0.020 B 104 GLU HGx H 1 2.307 0.020 B 104 GLU HGy H 1 2.307 0.020 B 104 GLU C C 13 176.764 0.300 B 104 GLU CA C 13 55.385 0.300 B 104 GLU CB C 13 31.281 0.300 B 104 GLU CG C 13 36.429 0.300 B 104 GLU N N 15 115.154 0.300 B 105 ARG H H 1 8.426 0.020 B 105 ARG HA H 1 4.613 0.020 B 105 ARG HBx H 1 2.330 0.020 B 105 ARG HBy H 1 2.330 0.020 B 105 ARG HDx H 1 3.336 0.020 B 105 ARG HDy H 1 3.336 0.020 B 105 ARG HGx H 1 1.778 0.020 B 105 ARG HGy H 1 1.778 0.020 B 105 ARG C C 13 175.169 0.300 B 105 ARG CA C 13 56.772 0.300 B 105 ARG CB C 13 28.163 0.300 B 105 ARG CD C 13 43.421 0.300 B 105 ARG CG C 13 27.079 0.300 B 105 ARG N N 15 119.949 0.300 B 106 THR H H 1 7.335 0.020 B 106 THR HA H 1 5.406 0.020 B 106 THR HB H 1 3.817 0.020 B 106 THR HG2% H 1 0.675 0.020 B 106 THR C C 13 172.022 0.300 B 106 THR CA C 13 61.476 0.300 B 106 THR CB C 13 72.770 0.300 B 106 THR CG2 C 13 21.723 0.300 B 106 THR N N 15 110.019 0.300 B 107 LEU H H 1 8.942 0.020 B 107 LEU HA H 1 5.109 0.020 B 107 LEU HB2 H 1 0.853 0.020 B 107 LEU HB3 H 1 1.241 0.020 B 107 LEU HDx% H 1 -000.02 0.020 B 107 LEU HDy% H 1 0.159 0.020 B 107 LEU HG H 1 0.985 0.020 B 107 LEU C C 13 174.223 0.300 B 107 LEU CA C 13 52.959 0.300 B 107 LEU CB C 13 45.584 0.300 B 107 LEU CD1 C 13 24.126 0.300 B 107 LEU CD2 C 13 24.144 0.300 B 107 LEU CG C 13 25.850 0.300 B 107 LEU N N 15 127.320 0.300 B 108 TYR H H 1 9.390 0.020 B 108 TYR HA H 1 4.814 0.020 B 108 TYR HB2 H 1 2.892 0.020 B 108 TYR HB3 H 1 3.190 0.020 B 108 TYR HD1 H 1 6.921 0.020 B 108 TYR HD2 H 1 6.921 0.020 B 108 TYR HE1 H 1 6.666 0.020 B 108 TYR HE2 H 1 6.666 0.020 B 108 TYR C C 13 174.551 0.300 B 108 TYR CA C 13 57.225 0.300 B 108 TYR CB C 13 41.917 0.300 B 108 TYR CD1 C 13 133.169 0.300 B 108 TYR CE1 C 13 118.236 0.300 B 108 TYR N N 15 123.629 0.300 B 109 ILE H H 1 9.028 0.020 B 109 ILE HA H 1 5.003 0.020 B 109 ILE HB H 1 1.751 0.020 B 109 ILE HD1% H 1 0.507 0.020 B 109 ILE HG12 H 1 0.821 0.020 B 109 ILE HG13 H 1 1.356 0.020 B 109 ILE HG2% H 1 0.594 0.020 B 109 ILE C C 13 174.153 0.300 B 109 ILE CA C 13 59.786 0.300 B 109 ILE CB C 13 39.773 0.300 B 109 ILE CD1 C 13 14.877 0.300 B 109 ILE CG1 C 13 27.308 0.300 B 109 ILE CG2 C 13 16.839 0.300 B 109 ILE N N 15 122.148 0.300 B 110 TYR H H 1 9.402 0.020 B 110 TYR HA H 1 5.196 0.020 B 110 TYR HB2 H 1 2.526 0.020 B 110 TYR HB3 H 1 2.718 0.020 B 110 TYR HD1 H 1 6.949 0.020 B 110 TYR HD2 H 1 6.949 0.020 B 110 TYR HE1 H 1 6.361 0.020 B 110 TYR HE2 H 1 6.361 0.020 B 110 TYR C C 13 174.492 0.300 B 110 TYR CA C 13 57.544 0.300 B 110 TYR CB C 13 40.396 0.300 B 110 TYR CD1 C 13 131.580 0.300 B 110 TYR CE1 C 13 116.511 0.300 B 110 TYR N N 15 125.831 0.300 B 111 ILE H H 1 8.998 0.020 B 111 ILE HA H 1 4.152 0.020 B 111 ILE HB H 1 1.661 0.020 B 111 ILE HD1% H 1 0.672 0.020 B 111 ILE HG12 H 1 0.861 0.020 B 111 ILE HG13 H 1 1.467 0.020 B 111 ILE HG2% H 1 0.884 0.020 B 111 ILE C C 13 179.433 0.300 B 111 ILE CA C 13 63.920 0.300 B 111 ILE CB C 13 42.133 0.300 B 111 ILE CD1 C 13 15.018 0.300 B 111 ILE CG1 C 13 28.473 0.300 B 111 ILE CG2 C 13 18.798 0.300 B 111 ILE N N 15 127.850 0.300 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 B 28 GLN H B 29 GLU H 1.0 0.0 4.39 2 2 B 28 GLN H B 28 GLN HB2 1.0 0.0 3.35 3 2 B 28 GLN H B 28 GLN HB3 1.0 0.0 3.35 4 3 B 28 GLN H B 27 GLN HGx 1.0 0.0 4.48 5 4 B 29 GLU H B 29 GLU HG2 1.0 0.0 3.31 6 5 B 29 GLU H B 28 GLN HB2 1.0 0.0 3.12 7 5 B 29 GLU H B 28 GLN HB3 1.0 0.0 3.12 8 6 B 29 GLU H B 28 GLN HA 1.0 0.0 2.89 9 7 B 29 GLU HA B 30 ASP H 1.0 0.0 2.62 10 8 B 30 ASP H B 30 ASP HB2 1.0 0.0 2.90 11 8 B 30 ASP H B 30 ASP HB3 1.0 0.0 2.90 12 9 B 30 ASP H B 31 VAL H 1.0 0.0 4.56 13 10 B 30 ASP HA B 31 VAL H 1.0 0.0 2.95 14 11 B 31 VAL H B 30 ASP HB2 1.0 0.0 3.28 15 11 B 30 ASP HB3 B 31 VAL H 1.0 0.0 3.28 16 12 B 31 VAL H B 31 VAL HB 1.0 0.0 3.37 17 13 B 31 VAL H B 31 VAL HGx% 1.0 0.0 3.33 18 14 B 29 GLU HG2 B 31 VAL H 1.0 0.0 5.03 19 15 B 33 GLU H B 33 GLU HG2 1.0 0.0 3.87 20 16 B 33 GLU H B 32 PRO HB2 1.0 0.0 3.51 21 17 B 33 GLU H B 32 PRO HA 1.0 0.0 2.63 22 18 B 34 TYR H B 35 GLU H 1.0 0.0 4.58 23 19 B 34 TYR H B 33 GLU HA 1.0 0.0 3.01 24 20 B 34 TYR H B 33 GLU HG3 1.0 0.0 4.31 25 21 B 35 GLU H B 35 GLU HB2 1.0 0.0 2.87 26 21 B 35 GLU H B 35 GLU HB3 1.0 0.0 2.87 27 22 B 35 GLU H B 35 GLU HG2 1.0 0.0 4.09 28 23 B 35 GLU H B 35 GLU HG3 1.0 0.0 3.47 29 24 B 35 GLU H B 34 TYR HA 1.0 0.0 2.75 30 25 B 36 VAL H B 35 GLU HA 1.0 0.0 2.93 31 26 B 35 GLU HG3 B 36 VAL H 1.0 0.0 5.09 32 27 B 36 VAL H B 36 VAL HB 1.0 0.0 4.16 33 28 B 36 VAL H B 35 GLU HB2 1.0 0.0 3.89 34 28 B 35 GLU HB3 B 36 VAL H 1.0 0.0 3.89 35 29 B 36 VAL H B 36 VAL HGy% 1.0 0.0 3.05 36 30 B 36 VAL HGy% B 37 LYS H 1.0 0.0 3.50 37 31 B 37 LYS H B 38 MET HB3 1.0 0.0 5.06 38 32 B 36 VAL HB B 37 LYS H 1.0 0.0 3.11 39 33 B 37 LYS H B 37 LYS HB2 1.0 0.0 3.76 40 34 B 37 LYS H B 37 LYS HB3 1.0 0.0 3.76 41 35 B 37 LYS H B 38 MET HA 1.0 0.0 5.04 42 36 B 37 LYS H B 36 VAL HA 1.0 0.0 2.99 43 37 B 36 VAL H B 37 LYS H 1.0 0.0 4.54 44 38 B 37 LYS H B 38 MET H 1.0 0.0 2.77 45 39 B 38 MET H B 39 LYS H 1.0 0.0 4.36 46 40 B 36 VAL HB B 38 MET H 1.0 0.0 2.81 47 41 B 39 LYS H B 39 LYS HB3 1.0 0.0 3.62 48 42 B 39 LYS H B 39 LYS HB2 1.0 0.0 3.12 49 43 B 39 LYS H B 40 ARG HDx 1.0 0.0 4.86 50 44 B 36 VAL HB B 39 LYS H 1.0 0.0 6.07 51 45 B 38 MET HA B 39 LYS H 1.0 0.0 2.71 52 46 B 41 PHE H B 42 LYS H 1.0 0.0 4.61 53 47 B 41 PHE H B 40 ARG HA 1.0 0.0 2.50 54 48 B 43 GLY H B 41 PHE HA 1.0 0.0 3.53 55 49 B 43 GLY H B 44 ALA H 1.0 0.0 4.59 56 50 B 42 LYS H B 43 GLY H 1.0 0.0 3.13 57 51 B 44 ALA H B 44 ALA HB% 1.0 0.0 3.44 58 52 B 44 ALA H B 44 ALA HB% 1.0 0.0 3.44 59 53 B 44 ALA H A 22 ARG HE 1.0 0.0 3.94 60 54 B 45 ALA H B 46 TYR H 1.0 0.0 4.62 61 55 B 46 TYR H B 45 ALA HB% 1.0 0.0 4.05 62 56 A 4 MET H A 4 MET HG2 1.0 0.0 3.74 63 56 A 4 MET H A 4 MET HG3 1.0 0.0 3.74 64 57 A 5 SER H A 5 SER HBy 1.0 0.0 3.19 65 58 A 5 SER H A 4 MET HG2 1.0 0.0 3.55 66 58 A 4 MET HG3 A 5 SER H 1.0 0.0 3.55 67 59 A 4 MET HB3 A 6 VAL H 1.0 0.0 3.14 68 60 A 5 SER HA A 7 GLN H 1.0 0.0 3.70 69 61 A 7 GLN H A 7 GLN HG2 1.0 0.0 3.78 70 62 A 10 VAL H A 11 VAL H 1.0 0.0 4.67 71 63 A 10 VAL H A 9 PRO HA 1.0 0.0 2.84 72 64 A 10 VAL H A 10 VAL HB 1.0 0.0 3.20 73 65 A 10 VAL H A 9 PRO HG3 1.0 0.0 4.23 74 66 A 9 PRO HB3 A 10 VAL H 1.0 0.0 4.72 75 67 A 9 PRO HB2 A 10 VAL H 1.0 0.0 4.58 76 68 A 11 VAL H A 10 VAL HB 1.0 0.0 3.45 77 69 A 11 VAL H A 10 VAL HA 1.0 0.0 2.98 78 70 A 11 VAL H A 12 GLU H 1.0 0.0 4.07 79 71 A 12 GLU H A 11 VAL HA 1.0 0.0 2.95 80 72 A 10 VAL HA A 12 GLU H 1.0 0.0 5.88 81 73 A 12 GLU H A 12 GLU HG2 1.0 0.0 3.80 82 74 A 12 GLU H A 12 GLU HG3 1.0 0.0 3.80 83 75 A 13 VAL H A 13 VAL HGx% 1.0 0.0 3.73 84 75 A 13 VAL H A 13 VAL HGy% 1.0 0.0 3.73 85 76 A 13 VAL H A 12 GLU HA 1.0 0.0 3.06 86 77 A 12 GLU H A 13 VAL H 1.0 0.0 4.62 87 78 A 14 ASP H A 13 VAL HGx% 1.0 0.0 4.35 88 78 A 13 VAL HGy% A 14 ASP H 1.0 0.0 4.35 89 79 A 15 GLU H A 15 GLU HB2 1.0 0.0 3.54 90 80 A 15 GLU H A 15 GLU HB3 1.0 0.0 3.62 91 81 A 15 GLU H A 14 ASP HB3 1.0 0.0 3.54 92 82 A 15 GLU H A 14 ASP HB2 1.0 0.0 4.34 93 83 A 15 GLU H A 14 ASP HA 1.0 0.0 2.99 94 84 A 15 GLU H A 16 LEU H 1.0 0.0 4.42 95 85 A 13 VAL H A 14 ASP H 1.0 0.0 4.36 96 86 A 14 ASP H A 15 GLU H 1.0 0.0 4.60 97 87 A 16 LEU H A 17 PRO HD2 1.0 0.0 4.70 98 87 A 16 LEU H A 17 PRO HD3 1.0 0.0 4.70 99 88 A 16 LEU H A 15 GLU HA 1.0 0.0 2.97 100 89 A 15 GLU HB3 A 16 LEU H 1.0 0.0 4.17 101 90 A 16 LEU H A 15 GLU HGx 1.0 0.0 3.64 102 91 A 16 LEU H A 15 GLU HGy 1.0 0.0 4.66 103 92 A 20 TYR H A 17 PRO HB3 1.0 0.0 4.71 104 93 A 20 TYR H A 23 SER HG 1.0 0.0 4.32 105 94 A 21 ASP H A 22 ARG HD2 1.0 0.0 4.44 106 94 A 21 ASP H A 22 ARG HD3 1.0 0.0 4.44 107 95 A 22 ARG H A 21 ASP HB2 1.0 0.0 3.25 108 95 A 21 ASP HB3 A 22 ARG H 1.0 0.0 3.25 109 96 A 23 SER HG A 22 ARG H 1.0 0.0 5.48 110 97 A 23 SER HA A 22 ARG H 1.0 0.0 4.69 111 98 A 22 ARG H A 17 PRO HD2 1.0 0.0 4.96 112 98 A 17 PRO HD3 A 22 ARG H 1.0 0.0 4.96 113 99 A 22 ARG H A 23 SER H 1.0 0.0 4.30 114 100 A 23 SER H A 23 SER HB2 1.0 0.0 4.02 115 101 A 23 SER H A 23 SER HB3 1.0 0.0 4.02 116 102 A 23 SER H A 22 ARG HB2 1.0 0.0 3.70 117 102 A 23 SER H A 22 ARG HB3 1.0 0.0 3.70 118 103 A 23 SER H A 22 ARG HA 1.0 0.0 3.52 119 104 A 23 SER H A 22 ARG HD2 1.0 0.0 4.88 120 104 A 22 ARG HD3 A 23 SER H 1.0 0.0 4.88 121 105 A 20 TYR H A 17 PRO HD2 1.0 0.0 5.30 122 105 A 17 PRO HD3 A 20 TYR H 1.0 0.0 5.30 123 106 B 44 ALA H A 22 ARG HD2 1.0 0.0 5.17 124 106 B 44 ALA H A 22 ARG HD3 1.0 0.0 5.17 125 107 A 22 ARG HE A 22 ARG H 1.0 0.0 4.01 126 108 A 22 ARG HE A 21 ASP HB2 1.0 0.0 3.91 127 108 A 22 ARG HE A 21 ASP HB3 1.0 0.0 3.91 128 109 A 22 ARG HE A 20 TYR HB2 1.0 0.0 4.07 129 109 A 22 ARG HE A 20 TYR HB3 1.0 0.0 4.07 130 110 A 15 GLU HGy A 17 PRO HD2 1.0 0.0 5.58 131 110 A 17 PRO HD3 A 15 GLU HGy 1.0 0.0 5.58 132 111 B 27 GLN HA B 27 GLN HE2y 1.0 0.0 4.52 133 111 B 27 GLN HA B 27 GLN HE2x 1.0 0.0 4.52 134 112 A 20 TYR HB2 A 21 ASP HB2 1.0 0.0 3.77 135 112 A 21 ASP HB3 A 20 TYR HB2 1.0 0.0 3.77 136 112 A 21 ASP HB3 A 20 TYR HB3 1.0 0.0 3.77 137 112 A 20 TYR HB3 A 21 ASP HB2 1.0 0.0 3.77 138 113 B 30 ASP H B 29 GLU HG3 1.0 0.0 3.68 139 114 B 28 GLN HA B 29 GLU HG3 1.0 0.0 3.95 140 115 B 29 GLU HA B 29 GLU HG3 1.0 0.0 3.36 141 116 B 29 GLU HG3 B 28 GLN HB2 1.0 0.0 4.73 142 116 B 28 GLN HB3 B 29 GLU HG3 1.0 0.0 4.73 143 117 B 36 VAL HGx% B 35 GLU HB2 1.0 0.0 4.77 144 117 B 35 GLU HB3 B 36 VAL HGx% 1.0 0.0 4.77 145 118 B 36 VAL HGx% B 40 ARG HDy 1.0 0.0 5.24 146 119 B 34 TYR HA B 36 VAL HGx% 1.0 0.0 4.66 147 120 B 35 GLU HA B 36 VAL HGx% 1.0 0.0 4.52 148 121 B 36 VAL H B 36 VAL HGx% 1.0 0.0 3.94 149 122 B 35 GLU H B 36 VAL HGx% 1.0 0.0 4.83 150 123 B 33 GLU H B 33 GLU HG3 1.0 0.0 3.87 151 124 B 33 GLU HA B 33 GLU HG3 1.0 0.0 3.44 152 125 B 39 LYS HA B 39 LYS HD3 1.0 0.0 4.08 153 126 B 45 ALA HB% B 39 LYS HD3 1.0 0.0 4.82 154 127 B 39 LYS HB2 B 39 LYS HD3 1.0 0.0 3.62 155 128 B 39 LYS HB3 B 39 LYS HD3 1.0 0.0 3.48 156 129 B 45 ALA HB% B 39 LYS HD2 1.0 0.0 4.82 157 130 B 39 LYS HB2 B 39 LYS HD2 1.0 0.0 3.62 158 131 B 39 LYS HB3 B 39 LYS HD2 1.0 0.0 3.48 159 132 B 36 VAL HGy% B 40 ARG HDy 1.0 0.0 3.85 160 133 B 36 VAL HGy% B 36 VAL HA 1.0 0.0 3.84 161 134 B 35 GLU HA B 36 VAL HGy% 1.0 0.0 4.00 162 135 B 31 VAL HGx% B 31 VAL HGy% 1.0 0.0 3.32 163 136 A 7 GLN HA A 7 GLN HG3 1.0 0.0 3.20 164 137 B 34 TYR H B 33 GLU HG2 1.0 0.0 4.31 165 138 A 7 GLN HA A 7 GLN HG2 1.0 0.0 3.20 166 139 B 39 LYS HB3 B 40 ARG HDy 1.0 0.0 5.34 167 140 B 39 LYS HB2 B 40 ARG HDy 1.0 0.0 5.38 168 141 B 39 LYS H B 40 ARG HDy 1.0 0.0 5.43 169 142 B 40 ARG HDx B 36 VAL HGx% 1.0 0.0 6.50 170 143 B 39 LYS HB3 B 40 ARG HDx 1.0 0.0 5.31 171 144 B 36 VAL HGy% B 40 ARG HDx 1.0 0.0 5.21 172 145 B 39 LYS HB2 B 45 ALA HB% 1.0 0.0 5.45 173 146 B 38 MET HA B 39 LYS HB2 1.0 0.0 5.39 174 147 B 30 ASP HA B 31 VAL HB 1.0 0.0 5.77 175 148 B 29 GLU HG2 B 28 GLN HA 1.0 0.0 3.72 176 149 B 29 GLU HG2 B 28 GLN HB2 1.0 0.0 4.58 177 149 B 28 GLN HB3 B 29 GLU HG2 1.0 0.0 4.58 178 150 B 29 GLU HA B 30 ASP HB2 1.0 0.0 4.31 179 150 B 29 GLU HA B 30 ASP HB3 1.0 0.0 4.31 180 151 A 7 GLN HA A 8 ILE HG12 1.0 0.0 3.90 181 151 A 7 GLN HA A 8 ILE HG2% 1.0 0.0 3.90 182 151 A 8 ILE HG13 A 7 GLN HA 1.0 0.0 3.90 183 152 B 36 VAL HGx% B 39 LYS HA 1.0 0.0 5.01 184 153 B 36 VAL HB B 39 LYS HA 1.0 0.0 5.54 185 154 B 39 LYS HA B 40 ARG HB3 1.0 0.0 5.89 186 155 B 40 ARG HA B 41 PHE HA 1.0 0.0 4.48 187 156 B 33 GLU HA B 33 GLU HG2 1.0 0.0 3.44 188 157 A 20 TYR HA A 21 ASP HB2 1.0 0.0 4.16 189 157 A 21 ASP HB3 A 20 TYR HA 1.0 0.0 4.16 190 158 B 38 MET HA B 38 MET HG2 1.0 0.0 3.61 191 158 B 38 MET HA B 38 MET HG3 1.0 0.0 3.61 192 159 A 5 SER H A 4 MET HA 1.0 0.0 2.62 193 160 B 35 GLU HG3 B 34 TYR HA 1.0 0.0 4.81 194 161 B 38 MET HB2 B 38 MET HG2 1.0 0.0 2.80 195 161 B 38 MET HB2 B 38 MET HG3 1.0 0.0 2.80 196 162 B 32 PRO HB2 B 33 GLU HA 1.0 0.0 5.08 197 163 A 17 PRO HD2 A 22 ARG HD2 1.0 0.0 3.71 198 163 A 17 PRO HD3 A 22 ARG HD2 1.0 0.0 3.71 199 163 A 22 ARG HD3 A 17 PRO HD2 1.0 0.0 3.71 200 163 A 17 PRO HD3 A 22 ARG HD3 1.0 0.0 3.71 201 164 A 22 ARG HE A 17 PRO HD2 1.0 0.0 3.90 202 164 A 22 ARG HE A 17 PRO HD3 1.0 0.0 3.90 203 165 B 36 VAL HA B 38 MET H 1.0 0.0 4.40 204 166 A 16 LEU HA A 17 PRO HD2 1.0 0.0 4.03 205 166 A 17 PRO HD3 A 16 LEU HA 1.0 0.0 4.03 206 167 A 22 ARG HA A 22 ARG HD2 1.0 0.0 3.66 207 167 A 22 ARG HD3 A 22 ARG HA 1.0 0.0 3.66 208 168 A 22 ARG HE B 44 ALA HB% 1.0 0.0 4.80 209 169 A 22 ARG HE B 44 ALA HB% 1.0 0.0 4.80 210 170 B 40 ARG HDx B 39 LYS HD3 1.0 0.0 4.89 211 171 B 40 ARG HDx B 39 LYS HD2 1.0 0.0 4.89 212 172 B 39 LYS HA B 39 LYS HD2 1.0 0.0 4.08 213 173 A 20 TYR HB2 A 22 ARG HD2 1.0 0.0 3.91 214 173 A 20 TYR HB3 A 22 ARG HD2 1.0 0.0 3.91 215 173 A 22 ARG HD3 A 20 TYR HB2 1.0 0.0 3.91 216 173 A 22 ARG HD3 A 20 TYR HB3 1.0 0.0 3.91 217 174 A 21 ASP HB2 A 22 ARG HD2 1.0 0.0 3.38 218 174 A 21 ASP HB3 A 22 ARG HD2 1.0 0.0 3.38 219 174 A 22 ARG HD3 A 21 ASP HB2 1.0 0.0 3.38 220 174 A 22 ARG HD3 A 21 ASP HB3 1.0 0.0 3.38 221 175 B 46 TYR H B 46 TYR HB2 1.0 0.0 3.82 222 176 B 46 TYR H B 46 TYR HB3 1.0 0.0 3.82 223 177 A 7 GLN H A 6 VAL HA 1.0 0.0 3.46 224 178 A 17 PRO HA A 17 PRO HD2 1.0 0.0 3.73 225 178 A 17 PRO HD3 A 17 PRO HA 1.0 0.0 3.73 226 179 B 28 GLN H B 27 GLN HB3 1.0 0.0 4.37 227 180 A 17 PRO HD2 A 20 TYR HB2 1.0 0.0 3.56 228 180 A 17 PRO HD3 A 20 TYR HB2 1.0 0.0 3.56 229 180 A 20 TYR HB3 A 17 PRO HD2 1.0 0.0 3.56 230 180 A 17 PRO HD3 A 20 TYR HB3 1.0 0.0 3.56 231 181 A 15 GLU HB3 A 17 PRO HD2 1.0 0.0 4.43 232 181 A 15 GLU HB3 A 17 PRO HD3 1.0 0.0 4.43 233 182 A 16 LEU HA A 16 LEU HDx% 1.0 0.0 4.17 234 182 A 16 LEU HA A 16 LEU HDy% 1.0 0.0 4.17 235 183 B 32 PRO HA B 33 GLU HA 1.0 0.0 4.90 236 184 B 40 ARG HDx B 39 LYS HA 1.0 0.0 3.76 237 185 B 35 GLU HG2 B 35 GLU HA 1.0 0.0 4.17 238 186 B 46 TYR H B 45 ALA HB% 1.0 0.0 4.18 239 187 A 22 ARG HD3 A 17 PRO HB3 1.0 0.0 4.81 240 187 A 17 PRO HB3 A 22 ARG HD2 1.0 0.0 4.81 241 188 A 22 ARG HD3 A 17 PRO HB2 1.0 0.0 4.81 242 188 A 17 PRO HB2 A 22 ARG HD2 1.0 0.0 4.81 243 189 B 38 MET H B 36 VAL HGx% 1.0 0.0 4.06 244 190 B 29 GLU HG2 B 30 ASP H 1.0 0.0 3.90 245 191 B 36 VAL HA B 36 VAL HGx% 1.0 0.0 3.18 246 192 A 12 GLU HA A 12 GLU HG3 1.0 0.0 3.44 247 193 A 12 GLU HA A 12 GLU HG2 1.0 0.0 3.44 248 194 B 31 VAL HGy% B 31 VAL HA 1.0 0.0 3.49 249 195 B 36 VAL HGy% B 39 LYS HA 1.0 0.0 4.00 250 196 A 21 ASP HA A 20 TYR HB2 1.0 0.0 4.48 251 196 A 20 TYR HB3 A 21 ASP HA 1.0 0.0 4.48 252 197 A 20 TYR HB3 A 17 PRO HB3 1.0 0.0 4.24 253 197 A 17 PRO HB3 A 20 TYR HB2 1.0 0.0 4.24 254 198 A 20 TYR HB3 A 17 PRO HB2 1.0 0.0 4.24 255 198 A 17 PRO HB2 A 20 TYR HB2 1.0 0.0 4.24 256 199 B 29 GLU HG2 B 29 GLU HA 1.0 0.0 3.24 257 200 A 15 GLU HA A 15 GLU HGx 1.0 0.0 3.65 258 201 B 40 ARG HDy B 39 LYS HA 1.0 0.0 3.75 259 202 A 16 LEU HB2 A 16 LEU HDx% 1.0 0.0 3.74 260 202 A 16 LEU HB2 A 16 LEU HDy% 1.0 0.0 3.74 261 203 B 40 ARG HA B 43 GLY H 1.0 0.0 5.68 262 204 B 38 MET H B 39 LYS HA 1.0 0.0 4.74 263 205 B 43 GLY H B 44 ALA HA 1.0 0.0 5.32 264 206 A 18 GLU H A 17 PRO HB2 1.0 0.0 4.70 265 207 A 19 GLY H A 20 TYR HB2 1.0 0.0 4.70 266 207 A 20 TYR HB3 A 19 GLY H 1.0 0.0 4.70 267 208 A 18 GLU H A 17 PRO HB3 1.0 0.0 4.70 268 209 B 44 ALA H B 45 ALA H 1.0 0.0 4.64 269 210 B 28 GLN H B 29 GLU HG2 1.0 0.0 5.21 270 211 A 15 GLU H A 16 LEU HA 1.0 0.0 4.90 271 212 A 16 LEU H A 15 GLU HE2 1.0 0.0 5.21 272 213 A 22 ARG HE A 21 ASP H 1.0 0.0 4.60 273 214 B 35 GLU H B 36 VAL HGy% 1.0 0.0 4.86 274 215 B 30 ASP H B 32 PRO HD2 1.0 0.0 5.41 275 215 B 30 ASP H B 32 PRO HD3 1.0 0.0 5.41 276 216 B 45 ALA H B 44 ALA HB% 1.0 0.0 4.81 277 217 A 22 ARG H A 17 PRO HB2 1.0 0.0 4.80 278 218 A 22 ARG H A 17 PRO HB3 1.0 0.0 4.80 279 219 B 41 PHE H B 43 GLY H 1.0 0.0 5.02 280 220 B 28 GLN H B 29 GLU HG3 1.0 0.0 4.46 281 221 B 45 ALA H B 44 ALA HB% 1.0 0.0 4.81 282 222 B 39 LYS HB2 B 43 GLY H 1.0 0.0 4.71 283 223 A 12 GLU H A 13 VAL HGx% 1.0 0.0 4.98 284 223 A 12 GLU H A 13 VAL HGy% 1.0 0.0 4.98 285 224 A 15 GLU H A 15 GLU HGx 1.0 0.0 4.67 286 225 B 36 VAL H B 38 MET H 1.0 0.0 5.18 287 226 A 20 TYR H A 17 PRO HB2 1.0 0.0 4.71 288 227 B 34 TYR H B 36 VAL HGy% 1.0 0.0 5.12 289 228 B 35 GLU H B 36 VAL H 1.0 0.0 4.29 290 229 B 28 GLN H B 27 GLN HGy 1.0 0.0 4.48 291 230 A 5 SER H A 7 GLN H 1.0 0.0 4.21 292 231 B 39 LYS HB3 B 43 GLY H 1.0 0.0 4.73 293 232 B 45 ALA H B 45 ALA HB% 1.0 0.0 4.20 294 233 B 37 LYS H B 38 MET HG2 1.0 0.0 4.36 295 233 B 37 LYS H B 38 MET HG3 1.0 0.0 4.36 296 234 B 31 VAL H B 32 PRO HD2 1.0 0.0 4.30 297 234 B 32 PRO HD3 B 31 VAL H 1.0 0.0 4.30 298 235 B 35 GLU HG2 B 36 VAL H 1.0 0.0 4.57 299 236 B 29 GLU H B 30 ASP H 1.0 0.0 4.55 300 237 A 7 GLN H A 5 SER HG 1.0 0.0 4.52 301 238 A 16 LEU H A 16 LEU HDx% 1.0 0.0 3.98 302 238 A 16 LEU H A 16 LEU HDy% 1.0 0.0 3.98 303 239 A 3 HIS H A 2 PRO HGx 1.0 0.0 3.84 304 239 A 2 PRO HGy A 3 HIS H 1.0 0.0 3.84 305 240 B 33 GLU H B 34 TYR H 1.0 0.0 4.56 306 241 A 9 PRO HG2 A 10 VAL H 1.0 0.0 4.51 307 242 A 14 ASP H A 14 ASP HB3 1.0 0.0 3.77 308 243 A 20 TYR H A 22 ARG H 1.0 0.0 4.22 309 244 A 3 HIS H A 3 HIS HBy 1.0 0.0 3.68 310 245 A 20 TYR H A 19 GLY H 1.0 0.0 3.65 311 246 B 28 GLN H B 27 GLN HB2 1.0 0.0 4.37 312 247 A 16 LEU H A 16 LEU HB2 1.0 0.0 3.62 313 248 B 31 VAL H B 31 VAL HGy% 1.0 0.0 4.07 314 249 A 20 TYR H A 18 GLU HA 1.0 0.0 4.45 315 250 A 14 ASP H A 14 ASP HB2 1.0 0.0 3.50 316 251 A 22 ARG H A 20 TYR HA 1.0 0.0 4.13 317 252 A 13 VAL H A 12 GLU HG2 1.0 0.0 4.12 318 253 A 22 ARG H A 22 ARG HB2 1.0 0.0 3.46 319 253 A 22 ARG H A 22 ARG HB3 1.0 0.0 3.46 320 254 B 39 LYS H B 39 LYS HD2 1.0 0.0 3.42 321 255 A 16 LEU H A 16 LEU HG 1.0 0.0 4.67 322 256 B 39 LYS H B 39 LYS HD3 1.0 0.0 3.42 323 257 B 45 ALA H B 44 ALA HA 1.0 0.0 3.36 324 258 A 6 VAL H A 5 SER HG 1.0 0.0 3.35 325 259 A 5 SER HBy A 6 VAL H 1.0 0.0 4.17 326 260 B 33 GLU H B 32 PRO HB3 1.0 0.0 3.96 327 261 B 38 MET H B 38 MET HB2 1.0 0.0 4.16 328 262 A 14 ASP H A 13 VAL HA 1.0 0.0 3.32 329 263 A 3 HIS H A 3 HIS HBx 1.0 0.0 3.68 330 264 B 38 MET HB3 B 38 MET H 1.0 0.0 3.52 331 265 A 13 VAL H A 12 GLU HG3 1.0 0.0 4.12 332 266 B 39 LYS H B 38 MET HB2 1.0 0.0 3.29 333 267 B 37 LYS H B 36 VAL HGx% 1.0 0.0 3.49 334 268 B 38 MET HB3 B 39 LYS H 1.0 0.0 4.38 335 269 B 39 LYS H B 45 ALA HB% 1.0 0.0 4.67 336 270 A 4 MET H A 4 MET HB2 1.0 0.0 3.24 337 271 B 46 TYR H B 45 ALA HA 1.0 0.0 3.20 338 272 B 39 LYS H B 38 MET HG2 1.0 0.0 3.60 339 272 B 39 LYS H B 38 MET HG3 1.0 0.0 3.60 340 273 A 22 ARG H A 22 ARG HD2 1.0 0.0 3.19 341 273 A 22 ARG HD3 A 22 ARG H 1.0 0.0 3.19 342 274 A 22 ARG H A 21 ASP HA 1.0 0.0 3.38 343 275 B 38 MET H B 38 MET HG2 1.0 0.0 3.16 344 275 B 38 MET H B 38 MET HG3 1.0 0.0 3.16 345 276 B 29 GLU H B 29 GLU HG3 1.0 0.0 3.16 346 277 A 5 SER H A 6 VAL H 1.0 0.0 3.13 347 278 A 6 VAL H A 7 GLN H 1.0 0.0 3.06 348 279 B 41 PHE H B 40 ARG HB3 1.0 0.0 3.62 349 280 A 20 TYR H A 19 GLY HA2 1.0 0.0 3.03 350 280 A 20 TYR H A 19 GLY HA3 1.0 0.0 3.03 351 281 B 36 VAL HGy% B 38 MET H 1.0 0.0 3.02 352 282 A 5 SER H A 5 SER HG 1.0 0.0 2.95 353 283 A 3 HIS H A 2 PRO HA 1.0 0.0 2.93 354 284 A 21 ASP H A 21 ASP HA 1.0 0.0 2.92 355 285 A 21 ASP H A 22 ARG H 1.0 0.0 2.89 356 286 A 21 ASP H A 20 TYR HA 1.0 0.0 2.75 357 287 B 28 GLN H B 27 GLN HA 1.0 0.0 2.71 358 288 A 22 ARG H A 20 TYR HB2 1.0 0.0 2.66 359 288 A 22 ARG H A 20 TYR HB3 1.0 0.0 2.66 360 289 B 42 LYS H B 41 PHE HA 1.0 0.0 2.65 361 290 A 21 ASP H A 20 TYR HB2 1.0 0.0 2.60 362 290 A 21 ASP H A 20 TYR HB3 1.0 0.0 2.60 363 291 A 5 SER H A 4 MET HB3 1.0 0.0 2.54 364 292 A 20 TYR H A 20 TYR HB2 1.0 0.0 2.54 365 292 A 20 TYR H A 20 TYR HB3 1.0 0.0 2.54 366 293 B 41 PHE H B 40 ARG HB2 1.0 0.0 2.68 367 294 A 4 MET H A 3 HIS HA 1.0 0.0 2.50 368 295 A 7 GLN H A 7 GLN HG3 1.0 0.0 3.78 369 296 A 21 ASP H A 21 ASP HB2 1.0 0.0 2.49 370 296 A 21 ASP H A 21 ASP HB3 1.0 0.0 2.49 371 297 B 27 GLN HA B 27 GLN HB2 1.0 0.0 2.63 372 297 B 27 GLN HA B 27 GLN HB3 1.0 0.0 2.63 373 298 B 28 GLN H B 27 GLN HB2 1.0 0.0 3.63 374 298 B 28 GLN H B 27 GLN HB3 1.0 0.0 3.63 375 299 B 31 VAL HB B 33 GLU HG3 1.0 0.0 5.09 376 299 B 31 VAL HB B 33 GLU HG2 1.0 0.0 5.09 377 300 B 32 PRO HA B 33 GLU HG3 1.0 0.0 3.59 378 300 B 32 PRO HA B 33 GLU HG2 1.0 0.0 3.59 379 301 B 33 GLU H B 33 GLU HG3 1.0 0.0 2.79 380 301 B 33 GLU H B 33 GLU HG2 1.0 0.0 2.79 381 302 B 33 GLU HA B 33 GLU HG3 1.0 0.0 2.95 382 302 B 33 GLU HA B 33 GLU HG2 1.0 0.0 2.95 383 303 B 34 TYR H B 33 GLU HG3 1.0 0.0 2.88 384 303 B 34 TYR H B 33 GLU HG2 1.0 0.0 2.88 385 304 B 35 GLU H B 33 GLU HG3 1.0 0.0 4.48 386 304 B 35 GLU H B 33 GLU HG2 1.0 0.0 4.48 387 305 B 35 GLU HA B 33 GLU HG3 1.0 0.0 4.16 388 305 B 35 GLU HA B 33 GLU HG2 1.0 0.0 4.16 389 306 B 35 GLU HG3 B 33 GLU HG3 1.0 0.0 4.40 390 306 B 35 GLU HG3 B 33 GLU HG2 1.0 0.0 4.40 391 307 B 36 VAL H B 33 GLU HG3 1.0 0.0 4.99 392 307 B 36 VAL H B 33 GLU HG2 1.0 0.0 4.99 393 308 B 36 VAL HGx% B 39 LYS HD2 1.0 0.0 4.70 394 308 B 36 VAL HGx% B 39 LYS HD3 1.0 0.0 4.70 395 309 B 36 VAL HGy% B 39 LYS HD2 1.0 0.0 2.97 396 309 B 36 VAL HGy% B 39 LYS HD3 1.0 0.0 2.97 397 310 B 37 LYS H B 37 LYS HB2 1.0 0.0 3.03 398 310 B 37 LYS H B 37 LYS HB3 1.0 0.0 3.03 399 311 B 38 MET H B 37 LYS HB2 1.0 0.0 3.15 400 311 B 38 MET H B 37 LYS HB3 1.0 0.0 3.15 401 312 B 38 MET H B 39 LYS HD2 1.0 0.0 4.34 402 312 B 38 MET H B 39 LYS HD3 1.0 0.0 4.34 403 313 B 38 MET HA B 39 LYS HD2 1.0 0.0 4.57 404 313 B 38 MET HA B 39 LYS HD3 1.0 0.0 4.57 405 314 B 39 LYS HA B 39 LYS HD2 1.0 0.0 3.23 406 314 B 39 LYS HA B 39 LYS HD3 1.0 0.0 3.23 407 315 B 39 LYS HA B 40 ARG HGx 1.0 0.0 4.36 408 315 B 39 LYS HA B 40 ARG HGy 1.0 0.0 4.36 409 316 B 39 LYS HB3 B 39 LYS HD2 1.0 0.0 3.02 410 316 B 39 LYS HB3 B 39 LYS HD3 1.0 0.0 3.02 411 317 B 40 ARG HDx B 39 LYS HD2 1.0 0.0 3.70 412 317 B 40 ARG HDx B 39 LYS HD3 1.0 0.0 3.70 413 318 B 40 ARG HDy B 39 LYS HD2 1.0 0.0 3.49 414 318 B 40 ARG HDy B 39 LYS HD3 1.0 0.0 3.49 415 319 B 44 ALA H B 39 LYS HD2 1.0 0.0 4.51 416 319 B 44 ALA H B 39 LYS HD3 1.0 0.0 4.51 417 320 B 45 ALA H B 39 LYS HD2 1.0 0.0 4.76 418 320 B 45 ALA H B 39 LYS HD3 1.0 0.0 4.76 419 321 B 45 ALA HA B 39 LYS HD2 1.0 0.0 4.24 420 321 B 45 ALA HA B 39 LYS HD3 1.0 0.0 4.24 421 322 B 45 ALA HB% B 39 LYS HD3 1.0 0.0 3.62 422 322 B 45 ALA HB% B 39 LYS HD2 1.0 0.0 3.62 423 323 B 45 ALA HB% B 39 LYS HD2 1.0 0.0 4.34 424 323 B 45 ALA HB% B 39 LYS HD3 1.0 0.0 4.34 425 324 B 46 TYR H B 39 LYS HD2 1.0 0.0 4.90 426 324 B 46 TYR H B 39 LYS HD3 1.0 0.0 4.90 427 325 B 41 PHE H B 41 PHE HB2 1.0 0.0 2.57 428 325 B 41 PHE H B 41 PHE HB3 1.0 0.0 2.57 429 326 B 41 PHE HA B 42 LYS HA 1.0 0.0 4.45 430 327 B 42 LYS H B 41 PHE HB2 1.0 0.0 3.22 431 327 B 42 LYS H B 41 PHE HB3 1.0 0.0 3.22 432 328 B 44 ALA H B 44 ALA HB% 1.0 0.0 2.98 433 329 B 45 ALA H B 44 ALA HB% 1.0 0.0 4.10 434 330 A 22 ARG HE B 44 ALA HB% 1.0 0.0 4.21 435 331 B 46 TYR HA B 46 TYR HB3 1.0 0.0 2.50 436 331 B 46 TYR HA B 46 TYR HB2 1.0 0.0 2.50 437 332 A 3 HIS H A 3 HIS HBy 1.0 0.0 3.16 438 332 A 3 HIS H A 3 HIS HBx 1.0 0.0 3.16 439 333 A 4 MET H A 3 HIS HBy 1.0 0.0 2.78 440 333 A 4 MET H A 3 HIS HBx 1.0 0.0 2.78 441 334 A 4 MET H A 7 GLN HG3 1.0 0.0 4.25 442 334 A 4 MET H A 7 GLN HG2 1.0 0.0 4.25 443 335 A 4 MET HA A 4 MET HE% 1.0 0.0 3.96 444 336 A 4 MET HB2 A 4 MET HE% 1.0 0.0 4.40 445 337 A 4 MET HB2 A 7 GLN HG3 1.0 0.0 3.15 446 337 A 4 MET HB2 A 7 GLN HG2 1.0 0.0 3.15 447 338 A 4 MET HE% A 4 MET HG2 1.0 0.0 2.79 448 338 A 4 MET HG3 A 4 MET HE% 1.0 0.0 2.79 449 339 A 5 SER H A 7 GLN HG3 1.0 0.0 4.06 450 339 A 5 SER H A 7 GLN HG2 1.0 0.0 4.06 451 340 A 5 SER HA A 7 GLN HG3 1.0 0.0 4.36 452 340 A 5 SER HA A 7 GLN HG2 1.0 0.0 4.36 453 341 A 6 VAL H A 6 VAL HB 1.0 0.0 2.72 454 342 A 6 VAL H A 7 GLN HG3 1.0 0.0 4.05 455 342 A 6 VAL H A 7 GLN HG2 1.0 0.0 4.05 456 343 A 7 GLN H A 6 VAL HB 1.0 0.0 3.82 457 344 A 7 GLN H A 7 GLN HG3 1.0 0.0 2.47 458 344 A 7 GLN H A 7 GLN HG2 1.0 0.0 2.47 459 345 A 10 VAL HB A 12 GLU HG3 1.0 0.0 4.03 460 345 A 10 VAL HB A 12 GLU HG2 1.0 0.0 4.03 461 346 A 11 VAL H A 12 GLU HG3 1.0 0.0 5.01 462 346 A 11 VAL H A 12 GLU HG2 1.0 0.0 5.01 463 347 A 11 VAL HA A 12 GLU HG3 1.0 0.0 4.00 464 347 A 11 VAL HA A 12 GLU HG2 1.0 0.0 4.00 465 348 A 12 GLU H A 11 VAL HGx% 1.0 0.0 3.60 466 348 A 12 GLU H A 11 VAL HGy% 1.0 0.0 3.60 467 349 A 13 VAL H A 11 VAL HGx% 1.0 0.0 5.83 468 349 A 13 VAL H A 11 VAL HGy% 1.0 0.0 5.83 469 350 A 12 GLU H A 12 GLU HG3 1.0 0.0 3.01 470 350 A 12 GLU H A 12 GLU HG2 1.0 0.0 3.01 471 351 A 12 GLU HA A 12 GLU HG3 1.0 0.0 3.00 472 351 A 12 GLU HA A 12 GLU HG2 1.0 0.0 3.00 473 352 A 13 VAL H A 12 GLU HG3 1.0 0.0 3.18 474 352 A 13 VAL H A 12 GLU HG2 1.0 0.0 3.18 475 353 A 14 ASP H A 12 GLU HG3 1.0 0.0 4.27 476 353 A 14 ASP H A 12 GLU HG2 1.0 0.0 4.27 477 354 A 14 ASP HA A 12 GLU HG3 1.0 0.0 4.29 478 354 A 14 ASP HA A 12 GLU HG2 1.0 0.0 4.29 479 355 A 20 TYR H A 17 PRO HB3 1.0 0.0 4.02 480 355 A 20 TYR H A 17 PRO HB2 1.0 0.0 4.02 481 356 A 17 PRO HB2 A 20 TYR HB2 1.0 0.0 3.63 482 356 A 17 PRO HB3 A 20 TYR HB2 1.0 0.0 3.63 483 356 A 20 TYR HB3 A 17 PRO HB3 1.0 0.0 3.63 484 356 A 20 TYR HB3 A 17 PRO HB2 1.0 0.0 3.63 485 357 A 22 ARG HE A 17 PRO HB3 1.0 0.0 4.65 486 357 A 22 ARG HE A 17 PRO HB2 1.0 0.0 4.65 487 358 A 18 GLU H A 18 GLU HGx 1.0 0.0 4.45 488 358 A 18 GLU H A 18 GLU HGy 1.0 0.0 4.45 489 359 A 23 SER H A 23 SER HB3 1.0 0.0 3.39 490 359 A 23 SER H A 23 SER HB2 1.0 0.0 3.39 491 360 A 23 SER HG A 23 SER H 1.0 0.0 3.77 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 B 43 GLY H B 40 ARG O 1.0 1.8 2.4 2 2 B 40 ARG O B 43 GLY N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 B 27 GLN C B 28 GLN N B 28 GLN CA B 28 GLN C 1.0 -158.5 -69.5 PHI 2 2 B 28 GLN N B 28 GLN CA B 28 GLN C B 29 GLU N 1.0 88.4 214.8 PSI 3 3 B 29 GLU C B 30 ASP N B 30 ASP CA B 30 ASP C 1.0 -109.9 -57.5 PHI 4 4 B 30 ASP N B 30 ASP CA B 30 ASP C B 31 VAL N 1.0 112.3 152.3 PSI 5 5 B 30 ASP C B 31 VAL N B 31 VAL CA B 31 VAL C 1.0 -149.9 -72.3 PHI 6 6 B 31 VAL N B 31 VAL CA B 31 VAL C B 32 PRO N 1.0 83.2 169.0 PSI 7 7 B 32 PRO N B 32 PRO CA B 32 PRO C B 33 GLU N 1.0 119.4 170.4 PSI 8 8 B 32 PRO C B 33 GLU N B 33 GLU CA B 33 GLU C 1.0 -134.6 -66.0 PHI 9 9 B 33 GLU N B 33 GLU CA B 33 GLU C B 34 TYR N 1.0 102.0 146.6 PSI 10 10 B 33 GLU C B 34 TYR N B 34 TYR CA B 34 TYR C 1.0 -127.3 -87.3 PHI 11 11 B 34 TYR N B 34 TYR CA B 34 TYR C B 35 GLU N 1.0 100.8 145.6 PSI 12 12 B 34 TYR C B 35 GLU N B 35 GLU CA B 35 GLU C 1.0 -126.9 -56.7 PHI 13 13 B 35 GLU N B 35 GLU CA B 35 GLU C B 36 VAL N 1.0 96.1 170.3 PSI 14 14 B 35 GLU C B 36 VAL N B 36 VAL CA B 36 VAL C 1.0 -167.8 -95.8 PHI 15 15 B 36 VAL N B 36 VAL CA B 36 VAL C B 37 LYS N 1.0 130.2 191.2 PSI 16 16 B 36 VAL C B 37 LYS N B 37 LYS CA B 37 LYS C 1.0 -135.6 -53.4 PHI 17 17 B 37 LYS N B 37 LYS CA B 37 LYS C B 38 MET N 1.0 -53.2 21.0 PSI 18 18 B 38 MET C B 39 LYS N B 39 LYS CA B 39 LYS C 1.0 -131.9 -53.9 PHI 19 19 B 39 LYS N B 39 LYS CA B 39 LYS C B 40 ARG N 1.0 74.5 173.1 PSI 20 20 B 40 ARG N B 40 ARG CA B 40 ARG C B 41 PHE N 1.0 124.8 172.6 PSI 21 21 B 40 ARG C B 41 PHE N B 41 PHE CA B 41 PHE C 1.0 -86.1 -39.3 PHI 22 22 B 41 PHE N B 41 PHE CA B 41 PHE C B 42 LYS N 1.0 119.0 159.0 PSI 23 23 B 41 PHE C B 42 LYS N B 42 LYS CA B 42 LYS C 1.0 69.9 109.9 PHI 24 24 B 42 LYS N B 42 LYS CA B 42 LYS C B 43 GLY N 1.0 -30.5 17.9 PSI 25 25 B 43 GLY C B 44 ALA N B 44 ALA CA B 44 ALA C 1.0 -130.9 -64.5 PHI 26 26 B 44 ALA N B 44 ALA CA B 44 ALA C B 45 ALA N 1.0 95.3 152.9 PSI 27 27 B 44 ALA C B 45 ALA N B 45 ALA CA B 45 ALA C 1.0 -153.3 -58.7 PHI 28 28 B 45 ALA N B 45 ALA CA B 45 ALA C B 46 TYR N 1.0 97.2 158.2 PSI 29 29 A 6 VAL C A 7 GLN N A 7 GLN CA A 7 GLN C 1.0 -130.6 -56.6 PHI 30 30 A 7 GLN N A 7 GLN CA A 7 GLN C A 8 ILE N 1.0 100.7 158.9 PSI 31 31 A 8 ILE N A 8 ILE CA A 8 ILE C A 9 PRO N 1.0 130.7 170.7 PSI 32 32 A 8 ILE C A 9 PRO N A 9 PRO CA A 9 PRO C 1.0 -158.0 -64.0 PHI 33 33 A 9 PRO N A 9 PRO CA A 9 PRO C A 10 VAL N 1.0 75.8 190.6 PSI 34 34 A 9 PRO C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -147.6 -68.6 PHI 35 35 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 VAL N 1.0 100.4 174.0 PSI 36 36 A 10 VAL C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -155.3 -86.3 PHI 37 37 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 GLU N 1.0 104.0 153.0 PSI 38 38 A 11 VAL C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -145.5 -80.3 PHI 39 39 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 VAL N 1.0 104.3 144.3 PSI 40 40 A 12 GLU C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -157.1 -78.7 PHI 41 41 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 ASP N 1.0 117.3 161.5 PSI 42 42 A 13 VAL C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -156.4 -88.4 PHI 43 43 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 GLU N 1.0 115.0 161.8 PSI 44 44 A 14 ASP C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -169.5 -108.9 PHI 45 45 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 LEU N 1.0 110.6 157.6 PSI 46 46 A 15 GLU C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -155.4 -88.4 PHI 47 47 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 PRO N 1.0 91.8 173.6 PSI 48 48 A 16 LEU C A 17 PRO N A 17 PRO CA A 17 PRO C 1.0 -148.6 -102.8 PHI 49 49 A 17 PRO N A 17 PRO CA A 17 PRO C A 18 GLU N 1.0 120.3 167.3 PSI 50 50 A 17 PRO C A 18 GLU N A 18 GLU CA A 18 GLU C 1.0 -179.3 -62.7 PHI 51 51 A 18 GLU N A 18 GLU CA A 18 GLU C A 19 GLY N 1.0 96.9 175.5 PSI 52 52 A 19 GLY C A 20 TYR N A 20 TYR CA A 20 TYR C 1.0 -157.1 -58.1 PHI 53 53 A 20 TYR N A 20 TYR CA A 20 TYR C A 21 ASP N 1.0 127.3 170.3 PSI 54 54 A 20 TYR C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -104.0 -47.0 PHI 55 55 A 21 ASP N A 21 ASP CA A 21 ASP C A 22 ARG N 1.0 -63.8 8.0 PSI 56 56 A 21 ASP C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -173.6 -66.0 PHI 57 57 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 SER N 1.0 116.8 182.6 PSI stop_ save_