data_nef_c26011_2nc9 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2NC9 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 9 GLU start . . 2 A 10 ASN middle . . 3 A 11 LYS middle . . 4 A 12 LYS middle . . 5 A 13 GLN middle . . 6 A 14 ALA middle . . 7 A 15 LEU middle . . 8 A 16 LYS middle . . 9 A 17 GLU middle . . 10 A 18 LYS middle . . 11 A 19 GLU middle . . 12 A 20 LEU middle . . 13 A 21 GLY middle . false 14 A 22 ASN middle . . 15 A 23 ASP middle . . 16 A 24 ALA middle . . 17 A 25 TYR middle . . 18 A 26 LYS middle . . 19 A 27 LYS middle . . 20 A 28 LYS middle . . 21 A 29 ASP middle . . 22 A 30 PHE middle . . 23 A 31 ASP middle . . 24 A 32 THR middle . . 25 A 33 ALA middle . . 26 A 34 LEU middle . . 27 A 35 LYS middle . . 28 A 36 HIS middle . . 29 A 37 TYR middle . . 30 A 38 ASP middle . . 31 A 39 LYS middle . . 32 A 40 ALA middle . . 33 A 41 LYS middle . . 34 A 42 GLU middle . . 35 A 43 LEU middle . . 36 A 44 ASP middle . . 37 A 45 PRO middle . false 38 A 46 THR middle . . 39 A 47 ASN middle . . 40 A 48 MET middle . . 41 A 49 THR middle . . 42 A 50 TYR middle . . 43 A 51 ILE middle . . 44 A 52 THR middle . . 45 A 53 ASN middle . . 46 A 54 GLN middle . . 47 A 55 ALA middle . . 48 A 56 ALA middle . . 49 A 57 VAL middle . . 50 A 58 TYR middle . . 51 A 59 PHE middle . . 52 A 60 GLU middle . . 53 A 61 LYS middle . . 54 A 62 GLY middle . false 55 A 63 ASP middle . . 56 A 64 TYR middle . . 57 A 65 ASN middle . . 58 A 66 LYS middle . . 59 A 67 CYS middle . . 60 A 68 ARG middle . . 61 A 69 GLU middle . . 62 A 70 LEU middle . . 63 A 71 CYS middle . . 64 A 72 GLU middle . . 65 A 73 LYS middle . . 66 A 74 ALA middle . . 67 A 75 ILE middle . . 68 A 76 GLU middle . . 69 A 77 VAL middle . . 70 A 78 GLY middle . false 71 A 79 ARG middle . . 72 A 80 GLU middle . . 73 A 81 ASN middle . . 74 A 82 ARG middle . . 75 A 83 GLU middle . . 76 A 84 ASP middle . . 77 A 85 TYR middle . . 78 A 86 ARG middle . . 79 A 87 GLN middle . . 80 A 88 ILE middle . . 81 A 89 ALA middle . . 82 A 90 LYS middle . . 83 A 91 ALA middle . . 84 A 92 TYR middle . . 85 A 93 ALA middle . . 86 A 94 ARG middle . . 87 A 95 ILE middle . . 88 A 96 GLY middle . false 89 A 97 ASN middle . . 90 A 98 SER middle . . 91 A 99 TYR middle . . 92 A 100 PHE middle . . 93 A 101 LYS middle . . 94 A 102 GLU middle . . 95 A 103 GLU middle . . 96 A 104 LYS middle . . 97 A 105 TYR middle . . 98 A 106 LYS middle . . 99 A 107 ASP middle . . 100 A 108 ALA middle . . 101 A 109 ILE middle . . 102 A 110 HIS middle . . 103 A 111 PHE middle . . 104 A 112 TYR middle . . 105 A 113 ASN middle . . 106 A 114 LYS middle . . 107 A 115 SER middle . . 108 A 116 LEU middle . . 109 A 117 ALA middle . . 110 A 118 GLU middle . . 111 A 119 HIS middle . . 112 A 120 ARG middle . . 113 A 121 THR middle . . 114 A 122 PRO middle . false 115 A 123 ASP middle . . 116 A 124 VAL middle . . 117 A 125 LEU middle . . 118 A 126 LYS middle . . 119 A 127 LYS middle . . 120 A 128 CYS middle . . 121 A 129 GLN middle . . 122 A 130 GLN middle . . 123 A 131 ALA middle . . 124 A 132 GLU middle . . 125 A 133 LYS middle . . 126 A 134 ILE middle . . 127 A 135 LEU middle . . 128 A 136 LYS middle . . 129 A 137 GLU middle . . 130 A 138 GLN middle . . 131 A 139 GLU 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 9 GLU HA H 1 4.105 0.000 A 9 GLU HB2 H 1 2.141 0.000 A 9 GLU HB3 H 1 2.141 0.000 A 9 GLU HG2 H 1 2.396 0.000 A 9 GLU HG3 H 1 2.396 0.000 A 9 GLU C C 13 178.223 0.000 A 9 GLU CA C 13 59.088 0.000 A 9 GLU CB C 13 29.546 0.000 A 9 GLU CG C 13 36.156 0.000 A 10 ASN H H 1 8.639 0.000 A 10 ASN HA H 1 4.524 0.000 A 10 ASN HBx H 1 3.051 0.000 A 10 ASN HBy H 1 3.063 0.000 A 10 ASN HD21 H 1 7.960 0.000 A 10 ASN HD22 H 1 7.060 0.000 A 10 ASN C C 13 177.151 0.000 A 10 ASN CA C 13 56.552 0.000 A 10 ASN CB C 13 36.901 0.000 A 10 ASN N N 15 117.703 0.000 A 10 ASN ND2 N 15 113.100 0.000 A 11 LYS H H 1 7.559 0.000 A 11 LYS HA H 1 4.059 0.000 A 11 LYS HBy H 1 1.941 0.000 A 11 LYS HBx H 1 1.939 0.000 A 11 LYS HD2 H 1 1.719 0.000 A 11 LYS HD3 H 1 1.719 0.000 A 11 LYS HEx H 1 3.021 0.000 A 11 LYS HEy H 1 3.053 0.000 A 11 LYS HGx H 1 1.426 0.000 A 11 LYS HGy H 1 1.618 0.000 A 11 LYS C C 13 178.916 0.000 A 11 LYS CA C 13 60.061 0.000 A 11 LYS CB C 13 32.691 0.000 A 11 LYS CD C 13 29.546 0.000 A 11 LYS CE C 13 41.835 0.000 A 11 LYS CG C 13 26.381 0.000 A 11 LYS N N 15 119.205 0.000 A 12 LYS H H 1 7.907 0.000 A 12 LYS HA H 1 4.055 0.000 A 12 LYS HB2 H 1 1.964 0.000 A 12 LYS HB3 H 1 1.964 0.000 A 12 LYS HD2 H 1 1.759 0.000 A 12 LYS HD3 H 1 1.759 0.000 A 12 LYS HE2 H 1 3.022 0.000 A 12 LYS HE3 H 1 3.022 0.000 A 12 LYS HGy H 1 1.570 0.000 A 12 LYS HGx H 1 1.408 0.000 A 12 LYS C C 13 179.607 0.000 A 12 LYS CA C 13 59.430 0.000 A 12 LYS CB C 13 32.412 0.000 A 12 LYS CD C 13 29.360 0.000 A 12 LYS CE C 13 41.928 0.000 A 12 LYS CG C 13 25.429 0.000 A 12 LYS N N 15 119.881 0.000 A 13 GLN H H 1 8.338 0.000 A 13 GLN HA H 1 4.104 0.000 A 13 GLN HBx H 1 2.158 0.000 A 13 GLN HBy H 1 2.268 0.000 A 13 GLN HG2 H 1 2.541 0.000 A 13 GLN HG3 H 1 2.541 0.000 A 13 GLN C C 13 178.532 0.000 A 13 GLN CA C 13 58.458 0.000 A 13 GLN CB C 13 28.259 0.000 A 13 GLN CG C 13 33.677 0.000 A 13 GLN N N 15 119.409 0.000 A 14 ALA H H 1 8.327 0.000 A 14 ALA HA H 1 3.772 0.000 A 14 ALA HB% H 1 1.735 0.000 A 14 ALA C C 13 178.458 0.000 A 14 ALA CA C 13 55.800 0.000 A 14 ALA CB C 13 18.915 0.000 A 14 ALA N N 15 123.211 0.000 A 15 LEU H H 1 7.655 0.000 A 15 LEU HA H 1 4.165 0.000 A 15 LEU HBx H 1 1.677 0.000 A 15 LEU HBy H 1 1.954 0.000 A 15 LEU HDx% H 1 0.994 0.000 A 15 LEU HDy% H 1 0.995 0.000 A 15 LEU HG H 1 1.905 0.000 A 15 LEU C C 13 179.730 0.000 A 15 LEU CA C 13 57.941 0.000 A 15 LEU CB C 13 42.085 0.000 A 15 LEU CDy C 13 25.212 0.000 A 15 LEU CDx C 13 23.940 0.000 A 15 LEU CG C 13 27.012 0.000 A 15 LEU N N 15 117.307 0.000 A 16 LYS H H 1 7.367 0.000 A 16 LYS HA H 1 4.111 0.000 A 16 LYS HBy H 1 1.992 0.000 A 16 LYS HBx H 1 1.987 0.000 A 16 LYS HD2 H 1 1.709 0.000 A 16 LYS HD3 H 1 1.709 0.000 A 16 LYS HE2 H 1 2.962 0.000 A 16 LYS HE3 H 1 2.962 0.000 A 16 LYS HGx H 1 1.436 0.000 A 16 LYS HGy H 1 1.537 0.000 A 16 LYS C C 13 179.415 0.000 A 16 LYS CA C 13 58.944 0.000 A 16 LYS CB C 13 31.595 0.000 A 16 LYS CD C 13 28.781 0.000 A 16 LYS CE C 13 41.907 0.000 A 16 LYS CG C 13 24.705 0.000 A 16 LYS N N 15 119.952 0.000 A 17 GLU H H 1 7.980 0.000 A 17 GLU HA H 1 3.975 0.000 A 17 GLU HBx H 1 1.857 0.000 A 17 GLU HBy H 1 2.730 0.000 A 17 GLU HGx H 1 2.032 0.000 A 17 GLU HGy H 1 2.404 0.000 A 17 GLU C C 13 179.079 0.000 A 17 GLU CA C 13 59.337 0.000 A 17 GLU CB C 13 28.601 0.000 A 17 GLU CG C 13 36.063 0.000 A 17 GLU N N 15 119.005 0.000 A 18 LYS H H 1 8.613 0.000 A 18 LYS HA H 1 3.783 0.000 A 18 LYS HBx H 1 2.038 0.000 A 18 LYS HBy H 1 2.208 0.000 A 18 LYS HD2 H 1 1.844 0.000 A 18 LYS HD3 H 1 1.844 0.000 A 18 LYS HEx H 1 2.982 0.000 A 18 LYS HEy H 1 3.083 0.000 A 18 LYS HGx H 1 1.593 0.000 A 18 LYS HGy H 1 1.691 0.000 A 18 LYS C C 13 178.069 0.000 A 18 LYS CA C 13 60.251 0.000 A 18 LYS CB C 13 31.055 0.000 A 18 LYS CD C 13 29.750 0.000 A 18 LYS CE C 13 42.091 0.000 A 18 LYS CG C 13 24.232 0.000 A 18 LYS N N 15 120.489 0.000 A 19 GLU H H 1 7.922 0.000 A 19 GLU HA H 1 4.087 0.000 A 19 GLU HB2 H 1 2.188 0.000 A 19 GLU HB3 H 1 2.188 0.000 A 19 GLU HGy H 1 2.497 0.000 A 19 GLU HGx H 1 2.334 0.000 A 19 GLU C C 13 179.398 0.000 A 19 GLU CA C 13 59.448 0.000 A 19 GLU CB C 13 29.267 0.000 A 19 GLU CG C 13 36.171 0.000 A 19 GLU N N 15 119.479 0.000 A 20 LEU H H 1 7.863 0.000 A 20 LEU HA H 1 3.904 0.000 A 20 LEU HBy H 1 1.106 0.000 A 20 LEU HBx H 1 0.072 0.000 A 20 LEU HDx% H 1 0.743 0.000 A 20 LEU HDy% H 1 0.678 0.000 A 20 LEU HG H 1 1.615 0.000 A 20 LEU C C 13 181.275 0.000 A 20 LEU CA C 13 57.742 0.000 A 20 LEU CB C 13 40.112 0.000 A 20 LEU CD1 C 13 22.326 0.000 A 20 LEU CD2 C 13 22.326 0.000 A 20 LEU CG C 13 26.239 0.000 A 20 LEU N N 15 120.554 0.000 A 21 GLY H H 1 8.665 0.000 A 21 GLY HAx H 1 3.151 0.000 A 21 GLY HAy H 1 3.512 0.000 A 21 GLY C C 13 174.385 0.000 A 21 GLY CA C 13 48.076 0.000 A 21 GLY N N 15 109.231 0.000 A 22 ASN H H 1 9.024 0.000 A 22 ASN HA H 1 4.626 0.000 A 22 ASN HBx H 1 2.991 0.000 A 22 ASN HBy H 1 3.232 0.000 A 22 ASN C C 13 177.991 0.000 A 22 ASN CA C 13 55.520 0.000 A 22 ASN CB C 13 37.460 0.000 A 22 ASN N N 15 122.002 0.000 A 23 ASP H H 1 8.195 0.000 A 23 ASP HA H 1 4.415 0.000 A 23 ASP HBx H 1 2.630 0.000 A 23 ASP HBy H 1 2.770 0.000 A 23 ASP C C 13 178.140 0.000 A 23 ASP CA C 13 57.755 0.000 A 23 ASP CB C 13 40.997 0.000 A 23 ASP N N 15 121.793 0.000 A 24 ALA H H 1 7.467 0.000 A 24 ALA HA H 1 4.195 0.000 A 24 ALA HB% H 1 1.606 0.000 A 24 ALA C C 13 179.327 0.000 A 24 ALA CA C 13 55.091 0.000 A 24 ALA CB C 13 17.389 0.000 A 24 ALA N N 15 121.170 0.000 A 25 TYR H H 1 9.096 0.000 A 25 TYR HA H 1 3.831 0.000 A 25 TYR HBx H 1 3.268 0.000 A 25 TYR HBy H 1 3.500 0.000 A 25 TYR HDx H 1 7.170 0.000 A 25 TYR HDy H 1 7.170 0.000 A 25 TYR HEx H 1 6.810 0.000 A 25 TYR HEy H 1 6.810 0.000 A 25 TYR C C 13 179.867 0.000 A 25 TYR CA C 13 61.572 0.000 A 25 TYR CB C 13 39.214 0.000 A 25 TYR CDx C 13 132.900 0.000 A 25 TYR CDy C 13 132.900 0.000 A 25 TYR CEx C 13 119.200 0.000 A 25 TYR CEy C 13 119.200 0.000 A 25 TYR N N 15 121.325 0.000 A 26 LYS H H 1 8.366 0.000 A 26 LYS HA H 1 3.994 0.000 A 26 LYS HB2 H 1 2.048 0.000 A 26 LYS HB3 H 1 2.048 0.000 A 26 LYS HD2 H 1 1.767 0.000 A 26 LYS HD3 H 1 1.767 0.000 A 26 LYS HE2 H 1 3.031 0.000 A 26 LYS HE3 H 1 3.031 0.000 A 26 LYS HG2 H 1 1.626 0.000 A 26 LYS HG3 H 1 1.626 0.000 A 26 LYS C C 13 177.839 0.000 A 26 LYS CA C 13 59.247 0.000 A 26 LYS CB C 13 32.440 0.000 A 26 LYS CD C 13 29.349 0.000 A 26 LYS CE C 13 42.091 0.000 A 26 LYS CG C 13 25.436 0.000 A 26 LYS N N 15 120.929 0.000 A 27 LYS H H 1 7.177 0.000 A 27 LYS HA H 1 4.232 0.000 A 27 LYS HBx H 1 1.787 0.000 A 27 LYS HBy H 1 2.003 0.000 A 27 LYS HDy H 1 1.688 0.000 A 27 LYS HDx H 1 1.607 0.000 A 27 LYS HEy H 1 2.962 0.000 A 27 LYS HEx H 1 2.957 0.000 A 27 LYS HGx H 1 1.480 0.000 A 27 LYS HGy H 1 1.540 0.000 A 27 LYS C C 13 175.324 0.000 A 27 LYS CA C 13 56.265 0.000 A 27 LYS CB C 13 32.526 0.000 A 27 LYS CD C 13 29.174 0.000 A 27 LYS CE C 13 42.021 0.000 A 27 LYS CG C 13 25.336 0.000 A 27 LYS N N 15 117.106 0.000 A 28 LYS H H 1 7.723 0.000 A 28 LYS HA H 1 2.681 0.000 A 28 LYS HBy H 1 1.980 0.000 A 28 LYS HBx H 1 1.545 0.000 A 28 LYS HDx H 1 1.659 0.000 A 28 LYS HDy H 1 1.667 0.000 A 28 LYS HEx H 1 3.025 0.000 A 28 LYS HEy H 1 3.029 0.000 A 28 LYS HGy H 1 1.250 0.000 A 28 LYS HGx H 1 1.130 0.000 A 28 LYS C C 13 174.474 0.000 A 28 LYS CA C 13 56.903 0.000 A 28 LYS CB C 13 32.21 0.000 A 28 LYS CD C 13 28.895 0.000 A 28 LYS CE C 13 42.473 0.000 A 28 LYS CG C 13 25.078 0.000 A 28 LYS N N 15 113.543 0.000 A 29 ASP H H 1 7.992 0.000 A 29 ASP HA H 1 4.797 0.000 A 29 ASP HBx H 1 2.399 0.000 A 29 ASP HBy H 1 2.860 0.000 A 29 ASP C C 13 177.042 0.000 A 29 ASP CA C 13 51.142 0.000 A 29 ASP CB C 13 38.331 0.000 A 29 ASP N N 15 119.251 0.000 A 30 PHE H H 1 7.265 0.000 A 30 PHE HA H 1 4.255 0.000 A 30 PHE HBx H 1 3.011 0.000 A 30 PHE HBy H 1 3.091 0.000 A 30 PHE HDx H 1 7.140 0.000 A 30 PHE HDy H 1 7.140 0.000 A 30 PHE HEx H 1 7.310 0.000 A 30 PHE HEy H 1 7.310 0.000 A 30 PHE C C 13 177.308 0.000 A 30 PHE CA C 13 60.132 0.000 A 30 PHE CB C 13 37.682 0.000 A 30 PHE CDx C 13 130.100 0.000 A 30 PHE CDy C 13 130.100 0.000 A 30 PHE CEx C 13 130.400 0.000 A 30 PHE CEy C 13 130.400 0.000 A 30 PHE N N 15 120.112 0.000 A 31 ASP H H 1 8.665 0.000 A 31 ASP HA H 1 4.466 0.000 A 31 ASP HBx H 1 2.670 0.000 A 31 ASP HBy H 1 2.675 0.000 A 31 ASP C C 13 179.221 0.000 A 31 ASP CA C 13 57.756 0.000 A 31 ASP CB C 13 39.998 0.000 A 31 ASP N N 15 119.332 0.000 A 32 THR H H 1 7.344 0.000 A 32 THR HA H 1 3.793 0.000 A 32 THR HB H 1 3.791 0.000 A 32 THR HG2% H 1 1.266 0.000 A 32 THR C C 13 175.714 0.000 A 32 THR CA C 13 65.831 0.000 A 32 THR CB C 13 67.220 0.000 A 32 THR CG2 C 13 23.430 0.000 A 32 THR N N 15 118.678 0.000 A 33 ALA H H 1 8.030 0.000 A 33 ALA HA H 1 3.894 0.000 A 33 ALA HB% H 1 1.536 0.000 A 33 ALA C C 13 178.029 0.000 A 33 ALA CA C 13 56.260 0.000 A 33 ALA CB C 13 18.047 0.000 A 33 ALA N N 15 123.065 0.000 A 34 LEU H H 1 8.137 0.000 A 34 LEU HA H 1 3.999 0.000 A 34 LEU HBx H 1 1.731 0.000 A 34 LEU HBy H 1 1.939 0.000 A 34 LEU HDx% H 1 0.785 0.000 A 34 LEU HDy% H 1 0.857 0.000 A 34 LEU HG H 1 1.891 0.000 A 34 LEU C C 13 178.161 0.000 A 34 LEU CA C 13 58.525 0.000 A 34 LEU CB C 13 42.114 0.000 A 34 LEU CDy C 13 24.240 0.000 A 34 LEU CDx C 13 24.226 0.000 A 34 LEU CG C 13 26.847 0.000 A 34 LEU N N 15 114.841 0.000 A 35 LYS H H 1 7.282 0.000 A 35 LYS HA H 1 4.054 0.000 A 35 LYS HBx H 1 1.756 0.000 A 35 LYS HBy H 1 1.822 0.000 A 35 LYS HD2 H 1 1.539 0.000 A 35 LYS HD3 H 1 1.539 0.000 A 35 LYS HE2 H 1 2.835 0.000 A 35 LYS HE3 H 1 2.835 0.000 A 35 LYS HG2 H 1 1.201 0.000 A 35 LYS HG3 H 1 1.201 0.000 A 35 LYS C C 13 180.071 0.000 A 35 LYS CA C 13 59.562 0.000 A 35 LYS CB C 13 31.857 0.000 A 35 LYS CD C 13 29.148 0.000 A 35 LYS CE C 13 41.904 0.000 A 35 LYS CG C 13 24.734 0.000 A 35 LYS N N 15 118.138 0.000 A 36 HIS H H 1 7.441 0.000 A 36 HIS HA H 1 4.476 0.000 A 36 HIS HBx H 1 2.528 0.000 A 36 HIS HBy H 1 3.683 0.000 A 36 HIS HD2 H 1 6.520 0.000 A 36 HIS HE1 H 1 7.900 0.000 A 36 HIS C C 13 177.998 0.000 A 36 HIS CA C 13 59.763 0.000 A 36 HIS CB C 13 28.203 0.000 A 36 HIS CD2 C 13 127.400 0.000 A 36 HIS CE1 C 13 139.700 0.000 A 36 HIS N N 15 118.114 0.000 A 37 TYR H H 1 8.687 0.000 A 37 TYR HA H 1 4.526 0.000 A 37 TYR HBx H 1 2.991 0.000 A 37 TYR HBy H 1 3.412 0.000 A 37 TYR HDx H 1 6.790 0.000 A 37 TYR HDy H 1 6.790 0.000 A 37 TYR C C 13 178.102 0.000 A 37 TYR CA C 13 58.850 0.000 A 37 TYR CB C 13 37.550 0.000 A 37 TYR N N 15 118.564 0.000 A 38 ASP H H 1 8.889 0.000 A 38 ASP HA H 1 4.466 0.000 A 38 ASP HBx H 1 2.620 0.000 A 38 ASP HBy H 1 2.911 0.000 A 38 ASP C C 13 178.674 0.000 A 38 ASP CA C 13 57.648 0.000 A 38 ASP CB C 13 40.916 0.000 A 38 ASP N N 15 119.837 0.000 A 39 LYS H H 1 7.491 0.000 A 39 LYS HA H 1 4.135 0.000 A 39 LYS HB2 H 1 1.967 0.000 A 39 LYS HB3 H 1 1.967 0.000 A 39 LYS HDy H 1 1.735 0.000 A 39 LYS HDx H 1 1.637 0.000 A 39 LYS HE2 H 1 2.907 0.000 A 39 LYS HE3 H 1 2.907 0.000 A 39 LYS HGy H 1 1.473 0.000 A 39 LYS HGx H 1 1.462 0.000 A 39 LYS C C 13 178.441 0.000 A 39 LYS CA C 13 58.144 0.000 A 39 LYS CB C 13 31.169 0.000 A 39 LYS CD C 13 28.045 0.000 A 39 LYS CE C 13 41.790 0.000 A 39 LYS CG C 13 24.433 0.000 A 39 LYS N N 15 120.361 0.000 A 40 ALA H H 1 8.268 0.000 A 40 ALA HA H 1 3.651 0.000 A 40 ALA HB% H 1 0.743 0.000 A 40 ALA C C 13 177.643 0.000 A 40 ALA CA C 13 55.836 0.000 A 40 ALA CB C 13 16.420 0.000 A 40 ALA N N 15 121.644 0.000 A 41 LYS H H 1 7.843 0.000 A 41 LYS HA H 1 4.185 0.000 A 41 LYS HBx H 1 1.887 0.000 A 41 LYS HBy H 1 1.996 0.000 A 41 LYS HD2 H 1 1.724 0.000 A 41 LYS HD3 H 1 1.724 0.000 A 41 LYS HEy H 1 3.031 0.000 A 41 LYS HEx H 1 3.029 0.000 A 41 LYS HGy H 1 1.604 0.000 A 41 LYS HGx H 1 1.534 0.000 A 41 LYS C C 13 177.820 0.000 A 41 LYS CA C 13 58.598 0.000 A 41 LYS CB C 13 32.158 0.000 A 41 LYS CD C 13 29.951 0.000 A 41 LYS CE C 13 41.890 0.000 A 41 LYS CG C 13 24.032 0.000 A 41 LYS N N 15 116.080 0.000 A 42 GLU H H 1 7.648 0.000 A 42 GLU HA H 1 3.964 0.000 A 42 GLU HB2 H 1 2.178 0.000 A 42 GLU HB3 H 1 2.178 0.000 A 42 GLU HG2 H 1 2.399 0.000 A 42 GLU HG3 H 1 2.399 0.000 A 42 GLU C C 13 179.200 0.000 A 42 GLU CA C 13 58.659 0.000 A 42 GLU CB C 13 30.102 0.000 A 42 GLU CG C 13 36.272 0.000 A 42 GLU N N 15 117.455 0.000 A 43 LEU H H 1 7.896 0.000 A 43 LEU HA H 1 4.155 0.000 A 43 LEU HBx H 1 1.616 0.000 A 43 LEU HBy H 1 1.897 0.000 A 43 LEU HDx% H 1 0.939 0.000 A 43 LEU HDy% H 1 0.776 0.000 A 43 LEU HG H 1 1.789 0.000 A 43 LEU C C 13 177.325 0.000 A 43 LEU CA C 13 56.839 0.000 A 43 LEU CB C 13 43.710 0.000 A 43 LEU CDx C 13 22.527 0.000 A 43 LEU CDy C 13 25.837 0.000 A 43 LEU CG C 13 26.955 0.000 A 43 LEU N N 15 118.635 0.000 A 44 ASP H H 1 8.135 0.000 A 44 ASP HA H 1 5.126 0.000 A 44 ASP HBx H 1 2.228 0.000 A 44 ASP HBy H 1 3.260 0.000 A 44 ASP C C 13 173.760 0.000 A 44 ASP CA C 13 51.218 0.000 A 44 ASP CB C 13 41.574 0.000 A 44 ASP N N 15 115.803 0.000 A 45 PRO HA H 1 4.942 0.000 A 45 PRO HBx H 1 2.085 0.000 A 45 PRO HBy H 1 2.489 0.000 A 45 PRO HDy H 1 3.845 0.000 A 45 PRO HDx H 1 3.574 0.000 A 45 PRO HGx H 1 1.946 0.000 A 45 PRO HGy H 1 2.154 0.000 A 45 PRO C C 13 177.821 0.000 A 45 PRO CA C 13 64.370 0.000 A 45 PRO CB C 13 32.727 0.000 A 45 PRO CD C 13 50.795 0.000 A 45 PRO CG C 13 26.957 0.000 A 46 THR H H 1 7.774 0.000 A 46 THR HA H 1 4.294 0.000 A 46 THR HB H 1 4.447 0.000 A 46 THR HG2% H 1 1.201 0.000 A 46 THR C C 13 172.614 0.000 A 46 THR CA C 13 61.468 0.000 A 46 THR CB C 13 69.093 0.000 A 46 THR CG2 C 13 21.437 0.000 A 46 THR N N 15 107.971 0.000 A 47 ASN H H 1 6.934 0.000 A 47 ASN HA H 1 4.697 0.000 A 47 ASN HBx H 1 2.399 0.000 A 47 ASN HBy H 1 2.971 0.000 A 47 ASN HD21 H 1 7.470 0.000 A 47 ASN HD22 H 1 6.890 0.000 A 47 ASN C C 13 176.334 0.000 A 47 ASN CA C 13 51.636 0.000 A 47 ASN CB C 13 39.596 0.000 A 47 ASN N N 15 119.032 0.000 A 47 ASN ND2 N 15 112.200 0.000 A 48 MET H H 1 9.810 0.000 A 48 MET HA H 1 3.894 0.000 A 48 MET HBx H 1 1.897 0.000 A 48 MET HBy H 1 2.312 0.000 A 48 MET HE% H 1 1.710 0.000 A 48 MET HG2 H 1 2.541 0.000 A 48 MET HG3 H 1 2.541 0.000 A 48 MET C C 13 176.775 0.000 A 48 MET CA C 13 58.860 0.000 A 48 MET CB C 13 33.061 0.000 A 48 MET CE C 13 16.900 0.000 A 48 MET CG C 13 31.255 0.000 A 48 MET N N 15 126.118 0.000 A 49 THR H H 1 8.090 0.000 A 49 THR HA H 1 4.011 0.000 A 49 THR HB H 1 3.706 0.000 A 49 THR HG2% H 1 1.016 0.000 A 49 THR C C 13 176.164 0.000 A 49 THR CA C 13 64.980 0.000 A 49 THR CB C 13 68.242 0.000 A 49 THR CG2 C 13 21.236 0.000 A 49 THR N N 15 115.234 0.000 A 50 TYR H H 1 6.527 0.000 A 50 TYR HA H 1 4.486 0.000 A 50 TYR HBx H 1 2.941 0.000 A 50 TYR HBy H 1 3.412 0.000 A 50 TYR HDx H 1 7.050 0.000 A 50 TYR HDy H 1 7.050 0.000 A 50 TYR HEx H 1 6.880 0.000 A 50 TYR HEy H 1 6.880 0.000 A 50 TYR C C 13 177.042 0.000 A 50 TYR CA C 13 58.458 0.000 A 50 TYR CB C 13 35.984 0.000 A 50 TYR CDx C 13 131.490 0.000 A 50 TYR CDy C 13 131.490 0.000 A 50 TYR CEx C 13 118.900 0.000 A 50 TYR CEy C 13 118.900 0.000 A 50 TYR N N 15 120.071 0.000 A 51 ILE H H 1 7.199 0.000 A 51 ILE HA H 1 4.126 0.000 A 51 ILE HB H 1 1.909 0.000 A 51 ILE HD1% H 1 0.945 0.000 A 51 ILE HG1x H 1 0.897 0.000 A 51 ILE HG1y H 1 1.771 0.000 A 51 ILE HG2% H 1 1.041 0.000 A 51 ILE C C 13 179.150 0.000 A 51 ILE CA C 13 64.224 0.000 A 51 ILE CB C 13 38.432 0.000 A 51 ILE CD1 C 13 14.500 0.000 A 51 ILE CG1 C 13 28.346 0.000 A 51 ILE CG2 C 13 20.219 0.000 A 51 ILE N N 15 117.326 0.000 A 52 THR H H 1 8.208 0.000 A 52 THR HA H 1 3.858 0.000 A 52 THR HB H 1 4.204 0.000 A 52 THR HG2% H 1 1.146 0.000 A 52 THR C C 13 177.878 0.000 A 52 THR CA C 13 65.977 0.000 A 52 THR CB C 13 67.512 0.000 A 52 THR CG2 C 13 23.229 0.000 A 52 THR N N 15 113.374 0.000 A 53 ASN H H 1 8.241 0.000 A 53 ASN HA H 1 4.165 0.000 A 53 ASN HBy H 1 2.098 0.000 A 53 ASN HBx H 1 2.085 0.000 A 53 ASN C C 13 177.323 0.000 A 53 ASN CA C 13 56.151 0.000 A 53 ASN CB C 13 35.884 0.000 A 53 ASN N N 15 121.924 0.000 A 54 GLN H H 1 7.182 0.000 A 54 GLN HA H 1 3.934 0.000 A 54 GLN HB2 H 1 2.138 0.000 A 54 GLN HB3 H 1 2.138 0.000 A 54 GLN HG2 H 1 2.247 0.000 A 54 GLN HG3 H 1 2.247 0.000 A 54 GLN C C 13 178.282 0.000 A 54 GLN CA C 13 59.963 0.000 A 54 GLN CB C 13 29.591 0.000 A 54 GLN CG C 13 35.709 0.000 A 54 GLN N N 15 117.889 0.000 A 55 ALA H H 1 8.342 0.000 A 55 ALA HA H 1 4.114 0.000 A 55 ALA HB% H 1 1.777 0.000 A 55 ALA C C 13 179.380 0.000 A 55 ALA CA C 13 55.950 0.000 A 55 ALA CB C 13 19.430 0.000 A 55 ALA N N 15 120.928 0.000 A 56 ALA H H 1 8.054 0.000 A 56 ALA HA H 1 3.994 0.000 A 56 ALA HB% H 1 1.576 0.000 A 56 ALA C C 13 179.699 0.000 A 56 ALA CA C 13 55.448 0.000 A 56 ALA CB C 13 17.911 0.000 A 56 ALA N N 15 120.262 0.000 A 57 VAL H H 1 7.432 0.000 A 57 VAL HA H 1 3.372 0.000 A 57 VAL HB H 1 2.329 0.000 A 57 VAL HGx% H 1 0.700 0.000 A 57 VAL HGy% H 1 1.277 0.000 A 57 VAL C C 13 177.644 0.000 A 57 VAL CA C 13 67.187 0.000 A 57 VAL CB C 13 30.667 0.000 A 57 VAL CGx C 13 22.239 0.000 A 57 VAL CGy C 13 23.343 0.000 A 57 VAL N N 15 117.872 0.000 A 58 TYR H H 1 7.658 0.000 A 58 TYR HA H 1 3.954 0.000 A 58 TYR HBx H 1 2.539 0.000 A 58 TYR HBy H 1 3.402 0.000 A 58 TYR HDx H 1 7.100 0.000 A 58 TYR HDy H 1 7.100 0.000 A 58 TYR HEx H 1 6.780 0.000 A 58 TYR HEy H 1 6.780 0.000 A 58 TYR C C 13 177.325 0.000 A 58 TYR CA C 13 64.370 0.000 A 58 TYR CB C 13 37.190 0.000 A 58 TYR CDx C 13 133.600 0.000 A 58 TYR CDy C 13 133.600 0.000 A 58 TYR CEx C 13 118.600 0.000 A 58 TYR CEy C 13 118.600 0.000 A 58 TYR N N 15 116.392 0.000 A 59 PHE H H 1 8.591 0.000 A 59 PHE HA H 1 3.813 0.000 A 59 PHE HBx H 1 3.593 0.000 A 59 PHE HBy H 1 3.673 0.000 A 59 PHE HDx H 1 7.460 0.000 A 59 PHE HDy H 1 7.460 0.000 A 59 PHE HEx H 1 7.310 0.000 A 59 PHE HEy H 1 7.310 0.000 A 59 PHE HZ H 1 7.330 0.000 A 59 PHE C C 13 178.548 0.000 A 59 PHE CA C 13 62.070 0.000 A 59 PHE CB C 13 38.693 0.000 A 59 PHE CDx C 13 132.000 0.000 A 59 PHE CDy C 13 132.000 0.000 A 59 PHE CEx C 13 131.500 0.000 A 59 PHE CEy C 13 131.500 0.000 A 59 PHE CZ C 13 130.200 0.000 A 59 PHE N N 15 120.039 0.000 A 60 GLU H H 1 8.085 0.000 A 60 GLU HA H 1 4.034 0.000 A 60 GLU HBx H 1 1.681 0.000 A 60 GLU HBy H 1 1.828 0.000 A 60 GLU HGx H 1 2.301 0.000 A 60 GLU HGy H 1 2.660 0.000 A 60 GLU C C 13 178.836 0.000 A 60 GLU CA C 13 58.890 0.000 A 60 GLU CB C 13 28.860 0.000 A 60 GLU CG C 13 35.884 0.000 A 60 GLU N N 15 121.020 0.000 A 61 LYS H H 1 7.675 0.000 A 61 LYS HA H 1 4.074 0.000 A 61 LYS HBx H 1 1.655 0.000 A 61 LYS HBy H 1 1.988 0.000 A 61 LYS HD2 H 1 1.451 0.000 A 61 LYS HD3 H 1 1.451 0.000 A 61 LYS HEy H 1 2.965 0.000 A 61 LYS HEx H 1 2.791 0.000 A 61 LYS HG2 H 1 1.370 0.000 A 61 LYS HG3 H 1 1.370 0.000 A 61 LYS C C 13 176.582 0.000 A 61 LYS CA C 13 57.154 0.000 A 61 LYS CB C 13 32.774 0.000 A 61 LYS CD C 13 29.363 0.000 A 61 LYS CE C 13 40.787 0.000 A 61 LYS CG C 13 24.433 0.000 A 61 LYS N N 15 115.767 0.000 A 62 GLY H H 1 7.488 0.000 A 62 GLY HAx H 1 2.740 0.000 A 62 GLY HAy H 1 3.864 0.000 A 62 GLY C C 13 172.915 0.000 A 62 GLY CA C 13 44.512 0.000 A 62 GLY N N 15 107.292 0.000 A 63 ASP H H 1 7.865 0.000 A 63 ASP HA H 1 4.696 0.000 A 63 ASP HBx H 1 2.349 0.000 A 63 ASP HBy H 1 2.981 0.000 A 63 ASP C C 13 175.962 0.000 A 63 ASP CA C 13 50.920 0.000 A 63 ASP CB C 13 39.482 0.000 A 63 ASP N N 15 120.929 0.000 A 64 TYR H H 1 7.103 0.000 A 64 TYR HA H 1 3.974 0.000 A 64 TYR HBx H 1 2.720 0.000 A 64 TYR HBy H 1 2.961 0.000 A 64 TYR HDx H 1 6.880 0.000 A 64 TYR HDy H 1 6.880 0.000 A 64 TYR HEx H 1 6.240 0.000 A 64 TYR HEy H 1 6.240 0.000 A 64 TYR C C 13 177.839 0.000 A 64 TYR CA C 13 60.908 0.000 A 64 TYR CB C 13 36.905 0.000 A 64 TYR CDx C 13 131.800 0.000 A 64 TYR CDy C 13 131.800 0.000 A 64 TYR CEx C 13 118.200 0.000 A 64 TYR CEy C 13 118.200 0.000 A 64 TYR N N 15 122.072 0.000 A 65 ASN H H 1 8.742 0.000 A 65 ASN HA H 1 4.315 0.000 A 65 ASN HBx H 1 2.750 0.000 A 65 ASN HBy H 1 2.820 0.000 A 65 ASN C C 13 177.432 0.000 A 65 ASN CA C 13 56.990 0.000 A 65 ASN CB C 13 38.213 0.000 A 65 ASN N N 15 118.456 0.000 A 66 LYS H H 1 7.619 0.000 A 66 LYS HA H 1 3.884 0.000 A 66 LYS HBx H 1 0.921 0.000 A 66 LYS HBy H 1 1.355 0.000 A 66 LYS HDy H 1 1.255 0.000 A 66 LYS HDx H 1 1.136 0.000 A 66 LYS HEx H 1 2.508 0.000 A 66 LYS HEy H 1 2.617 0.000 A 66 LYS HGx H 1 0.286 0.000 A 66 LYS HGy H 1 0.601 0.000 A 66 LYS C C 13 178.193 0.000 A 66 LYS CA C 13 57.756 0.000 A 66 LYS CB C 13 31.757 0.000 A 66 LYS CD C 13 27.591 0.000 A 66 LYS CE C 13 41.742 0.000 A 66 LYS CG C 13 23.329 0.000 A 66 LYS N N 15 121.459 0.000 A 67 CYS H H 1 7.860 0.000 A 67 CYS HA H 1 4.034 0.000 A 67 CYS HBx H 1 3.051 0.000 A 67 CYS HBy H 1 3.392 0.000 A 67 CYS C C 13 176.346 0.000 A 67 CYS CA C 13 62.672 0.000 A 67 CYS CB C 13 26.239 0.000 A 67 CYS N N 15 116.063 0.000 A 68 ARG H H 1 8.257 0.000 A 68 ARG HA H 1 4.183 0.000 A 68 ARG HBy H 1 2.085 0.000 A 68 ARG HBx H 1 1.908 0.000 A 68 ARG HDx H 1 3.182 0.000 A 68 ARG HDy H 1 3.258 0.000 A 68 ARG HG2 H 1 1.789 0.000 A 68 ARG HG3 H 1 1.789 0.000 A 68 ARG C C 13 177.441 0.000 A 68 ARG CA C 13 59.337 0.000 A 68 ARG CB C 13 29.733 0.000 A 68 ARG CD C 13 43.325 0.000 A 68 ARG CG C 13 27.871 0.000 A 68 ARG N N 15 118.942 0.000 A 69 GLU H H 1 7.974 0.000 A 69 GLU HA H 1 3.994 0.000 A 69 GLU HBx H 1 2.048 0.000 A 69 GLU HBy H 1 2.138 0.000 A 69 GLU HG2 H 1 2.388 0.000 A 69 GLU HG3 H 1 2.388 0.000 A 69 GLU C C 13 180.035 0.000 A 69 GLU CA C 13 59.261 0.000 A 69 GLU CB C 13 29.764 0.000 A 69 GLU CG C 13 36.185 0.000 A 69 GLU N N 15 119.700 0.000 A 70 LEU H H 1 8.078 0.000 A 70 LEU HA H 1 4.104 0.000 A 70 LEU HBx H 1 1.456 0.000 A 70 LEU HBy H 1 1.967 0.000 A 70 LEU HD1% H 1 0.907 0.000 A 70 LEU HD2% H 1 0.907 0.000 A 70 LEU HG H 1 1.713 0.000 A 70 LEU C C 13 179.038 0.000 A 70 LEU CA C 13 57.555 0.000 A 70 LEU CB C 13 42.105 0.000 A 70 LEU CDy C 13 26.941 0.000 A 70 LEU CDx C 13 22.828 0.000 A 70 LEU CG C 13 27.443 0.000 A 70 LEU N N 15 119.268 0.000 A 71 CYS H H 1 8.525 0.000 A 71 CYS HA H 1 3.904 0.000 A 71 CYS HBx H 1 2.312 0.000 A 71 CYS HBy H 1 3.091 0.000 A 71 CYS C C 13 176.670 0.000 A 71 CYS CA C 13 65.758 0.000 A 71 CYS CB C 13 28.359 0.000 A 71 CYS N N 15 118.150 0.000 A 72 GLU H H 1 8.300 0.000 A 72 GLU HA H 1 3.934 0.000 A 72 GLU HBx H 1 2.098 0.000 A 72 GLU HBy H 1 2.188 0.000 A 72 GLU HG2 H 1 2.486 0.000 A 72 GLU HG3 H 1 2.486 0.000 A 72 GLU C C 13 179.660 0.000 A 72 GLU CA C 13 60.351 0.000 A 72 GLU CB C 13 29.563 0.000 A 72 GLU CG C 13 36.687 0.000 A 72 GLU N N 15 118.476 0.000 A 73 LYS H H 1 7.705 0.000 A 73 LYS HA H 1 4.205 0.000 A 73 LYS HB2 H 1 2.048 0.000 A 73 LYS HB3 H 1 2.048 0.000 A 73 LYS HD2 H 1 1.756 0.000 A 73 LYS HD3 H 1 1.756 0.000 A 73 LYS HEy H 1 2.976 0.000 A 73 LYS HEx H 1 2.900 0.000 A 73 LYS HGx H 1 1.543 0.000 A 73 LYS HGy H 1 1.612 0.000 A 73 LYS C C 13 178.193 0.000 A 73 LYS CA C 13 58.232 0.000 A 73 LYS CB C 13 31.369 0.000 A 73 LYS CD C 13 28.259 0.000 A 73 LYS CE C 13 41.991 0.000 A 73 LYS CG C 13 24.547 0.000 A 73 LYS N N 15 120.889 0.000 A 74 ALA H H 1 8.790 0.000 A 74 ALA HA H 1 3.914 0.000 A 74 ALA HB% H 1 1.506 0.000 A 74 ALA C C 13 179.242 0.000 A 74 ALA CA C 13 55.135 0.000 A 74 ALA CB C 13 18.527 0.000 A 74 ALA N N 15 121.229 0.000 A 75 ILE H H 1 8.043 0.000 A 75 ILE HA H 1 3.312 0.000 A 75 ILE HB H 1 1.797 0.000 A 75 ILE HD1% H 1 0.068 0.000 A 75 ILE HG12 H 1 0.482 0.000 A 75 ILE HG13 H 1 0.482 0.000 A 75 ILE HG2% H 1 0.817 0.000 A 75 ILE C C 13 176.836 0.000 A 75 ILE CA C 13 66.184 0.000 A 75 ILE CB C 13 38.392 0.000 A 75 ILE CD1 C 13 13.109 0.000 A 75 ILE CG1 C 13 31.068 0.000 A 75 ILE CG2 C 13 17.109 0.000 A 75 ILE N N 15 118.494 0.000 A 76 GLU H H 1 7.515 0.000 A 76 GLU HA H 1 4.044 0.000 A 76 GLU HBx H 1 2.268 0.000 A 76 GLU HBy H 1 2.278 0.000 A 76 GLU HG2 H 1 2.464 0.000 A 76 GLU HG3 H 1 2.464 0.000 A 76 GLU C C 13 179.716 0.000 A 76 GLU CA C 13 59.986 0.000 A 76 GLU CB C 13 29.664 0.000 A 76 GLU CG C 13 36.285 0.000 A 76 GLU N N 15 119.775 0.000 A 77 VAL H H 1 8.211 0.000 A 77 VAL HA H 1 3.743 0.000 A 77 VAL HB H 1 2.088 0.000 A 77 VAL HGx% H 1 0.809 0.000 A 77 VAL HGy% H 1 1.070 0.000 A 77 VAL C C 13 179.291 0.000 A 77 VAL CA C 13 66.413 0.000 A 77 VAL CB C 13 32.432 0.000 A 77 VAL CGx C 13 20.835 0.000 A 77 VAL CGy C 13 22.841 0.000 A 77 VAL N N 15 120.392 0.000 A 78 GLY H H 1 9.230 0.000 A 78 GLY HAy H 1 4.033 0.000 A 78 GLY HAx H 1 4.031 0.000 A 78 GLY C C 13 176.722 0.000 A 78 GLY CA C 13 48.073 0.000 A 78 GLY N N 15 109.996 0.000 A 79 ARG H H 1 8.932 0.000 A 79 ARG HA H 1 4.185 0.000 A 79 ARG HBx H 1 1.911 0.000 A 79 ARG HBy H 1 2.095 0.000 A 79 ARG HDx H 1 3.182 0.000 A 79 ARG HDy H 1 3.262 0.000 A 79 ARG HG2 H 1 1.799 0.000 A 79 ARG HG3 H 1 1.799 0.000 A 79 ARG C C 13 180.549 0.000 A 79 ARG CA C 13 59.337 0.000 A 79 ARG CB C 13 29.764 0.000 A 79 ARG CD C 13 43.325 0.000 A 79 ARG CG C 13 27.778 0.000 A 79 ARG N N 15 121.556 0.000 A 80 GLU H H 1 7.995 0.000 A 80 GLU HA H 1 4.155 0.000 A 80 GLU HBx H 1 2.128 0.000 A 80 GLU HBy H 1 2.228 0.000 A 80 GLU HGy H 1 2.406 0.000 A 80 GLU HGx H 1 2.335 0.000 A 80 GLU C C 13 177.361 0.000 A 80 GLU CA C 13 59.103 0.000 A 80 GLU CB C 13 29.867 0.000 A 80 GLU CG C 13 36.142 0.000 A 80 GLU N N 15 119.918 0.000 A 81 ASN H H 1 7.745 0.000 A 81 ASN HA H 1 4.827 0.000 A 81 ASN HBx H 1 2.740 0.000 A 81 ASN HBy H 1 2.981 0.000 A 81 ASN C C 13 173.323 0.000 A 81 ASN CA C 13 53.843 0.000 A 81 ASN CB C 13 39.797 0.000 A 81 ASN N N 15 114.100 0.000 A 82 ARG H H 1 7.844 0.000 A 82 ARG HA H 1 4.040 0.000 A 82 ARG HB2 H 1 2.011 0.000 A 82 ARG HB3 H 1 2.011 0.000 A 82 ARG HD2 H 1 3.285 0.000 A 82 ARG HD3 H 1 3.285 0.000 A 82 ARG HG2 H 1 1.658 0.000 A 82 ARG HG3 H 1 1.658 0.000 A 82 ARG C C 13 175.855 0.000 A 82 ARG CA C 13 57.010 0.000 A 82 ARG CB C 13 26.741 0.000 A 82 ARG CD C 13 43.418 0.000 A 82 ARG CG C 13 27.591 0.000 A 82 ARG N N 15 116.935 0.000 A 83 GLU H H 1 8.500 0.000 A 83 GLU HA H 1 4.152 0.000 A 83 GLU HBx H 1 1.722 0.000 A 83 GLU HBy H 1 1.983 0.000 A 83 GLU HGy H 1 2.527 0.000 A 83 GLU HGx H 1 2.315 0.000 A 83 GLU C C 13 175.359 0.000 A 83 GLU CA C 13 56.058 0.000 A 83 GLU CB C 13 30.757 0.000 A 83 GLU CG C 13 36.994 0.000 A 83 GLU N N 15 118.693 0.000 A 84 ASP H H 1 8.688 0.000 A 84 ASP HA H 1 4.413 0.000 A 84 ASP HBx H 1 2.672 0.000 A 84 ASP HBy H 1 2.811 0.000 A 84 ASP C C 13 178.282 0.000 A 84 ASP CA C 13 55.170 0.000 A 84 ASP CB C 13 42.922 0.000 A 84 ASP N N 15 122.634 0.000 A 85 TYR H H 1 8.028 0.000 A 85 TYR HA H 1 4.319 0.000 A 85 TYR HBx H 1 3.333 0.000 A 85 TYR HBy H 1 3.407 0.000 A 85 TYR HDx H 1 7.280 0.000 A 85 TYR HDy H 1 7.280 0.000 A 85 TYR HEx H 1 6.880 0.000 A 85 TYR HEy H 1 6.880 0.000 A 85 TYR C C 13 177.239 0.000 A 85 TYR CA C 13 60.059 0.000 A 85 TYR CB C 13 37.482 0.000 A 85 TYR CDx C 13 134.220 0.000 A 85 TYR CDy C 13 134.220 0.000 A 85 TYR CEx C 13 118.630 0.000 A 85 TYR CEy C 13 118.630 0.000 A 85 TYR N N 15 126.492 0.000 A 86 ARG H H 1 8.143 0.000 A 86 ARG HA H 1 3.659 0.000 A 86 ARG HBy H 1 1.490 0.000 A 86 ARG HBx H 1 1.482 0.000 A 86 ARG HDy H 1 2.841 0.000 A 86 ARG HDx H 1 2.837 0.000 A 86 ARG HGx H 1 0.647 0.000 A 86 ARG HGy H 1 0.647 0.000 A 86 ARG C C 13 180.383 0.000 A 86 ARG CA C 13 59.255 0.000 A 86 ARG CB C 13 29.453 0.000 A 86 ARG CD C 13 42.859 0.000 A 86 ARG CG C 13 26.660 0.000 A 86 ARG N N 15 121.266 0.000 A 87 GLN H H 1 7.778 0.000 A 87 GLN HA H 1 4.200 0.000 A 87 GLN HB2 H 1 2.197 0.000 A 87 GLN HB3 H 1 2.197 0.000 A 87 GLN HGy H 1 2.456 0.000 A 87 GLN HGx H 1 2.315 0.000 A 87 GLN C C 13 179.575 0.000 A 87 GLN CA C 13 57.661 0.000 A 87 GLN CB C 13 28.787 0.000 A 87 GLN CG C 13 33.177 0.000 A 87 GLN N N 15 117.112 0.000 A 88 ILE H H 1 7.240 0.000 A 88 ILE HA H 1 3.446 0.000 A 88 ILE HB H 1 2.236 0.000 A 88 ILE HD1% H 1 0.729 0.000 A 88 ILE HG1x H 1 1.143 0.000 A 88 ILE HG1y H 1 1.567 0.000 A 88 ILE HG2% H 1 0.910 0.000 A 88 ILE C C 13 178.069 0.000 A 88 ILE CA C 13 64.830 0.000 A 88 ILE CB C 13 36.994 0.000 A 88 ILE CD1 C 13 11.765 0.000 A 88 ILE CG1 C 13 28.522 0.000 A 88 ILE CG2 C 13 18.002 0.000 A 88 ILE N N 15 121.842 0.000 A 89 ALA H H 1 8.583 0.000 A 89 ALA HA H 1 4.355 0.000 A 89 ALA HB% H 1 2.008 0.000 A 89 ALA C C 13 182.001 0.000 A 89 ALA CA C 13 56.408 0.000 A 89 ALA CB C 13 20.312 0.000 A 89 ALA N N 15 120.560 0.000 A 90 LYS H H 1 7.604 0.000 A 90 LYS HA H 1 4.165 0.000 A 90 LYS HBy H 1 1.951 0.000 A 90 LYS HBx H 1 1.947 0.000 A 90 LYS HDy H 1 1.749 0.000 A 90 LYS HDx H 1 1.668 0.000 A 90 LYS HE2 H 1 2.932 0.000 A 90 LYS HE3 H 1 2.932 0.000 A 90 LYS HG2 H 1 1.496 0.000 A 90 LYS HG3 H 1 1.496 0.000 A 90 LYS C C 13 178.884 0.000 A 90 LYS CA C 13 59.523 0.000 A 90 LYS CB C 13 32.805 0.000 A 90 LYS CD C 13 29.432 0.000 A 90 LYS CE C 13 41.928 0.000 A 90 LYS CG C 13 25.429 0.000 A 90 LYS N N 15 120.302 0.000 A 91 ALA H H 1 7.595 0.000 A 91 ALA HA H 1 4.183 0.000 A 91 ALA HB% H 1 1.285 0.000 A 91 ALA C C 13 179.770 0.000 A 91 ALA CA C 13 55.520 0.000 A 91 ALA CB C 13 17.816 0.000 A 91 ALA N N 15 124.336 0.000 A 92 TYR H H 1 7.915 0.000 A 92 TYR HA H 1 4.571 0.000 A 92 TYR HBx H 1 2.942 0.000 A 92 TYR HBy H 1 3.621 0.000 A 92 TYR HDx H 1 7.160 0.000 A 92 TYR HDy H 1 7.160 0.000 A 92 TYR HEx H 1 7.000 0.000 A 92 TYR HEy H 1 7.000 0.000 A 92 TYR C C 13 178.689 0.000 A 92 TYR CA C 13 61.813 0.000 A 92 TYR CB C 13 38.578 0.000 A 92 TYR CDx C 13 132.030 0.000 A 92 TYR CDy C 13 132.030 0.000 A 92 TYR CEx C 13 119.180 0.000 A 92 TYR CEy C 13 119.180 0.000 A 92 TYR N N 15 115.829 0.000 A 93 ALA H H 1 8.221 0.000 A 93 ALA HA H 1 4.185 0.000 A 93 ALA HB% H 1 1.724 0.000 A 93 ALA C C 13 178.416 0.000 A 93 ALA CA C 13 55.950 0.000 A 93 ALA CB C 13 18.002 0.000 A 93 ALA N N 15 120.944 0.000 A 94 ARG H H 1 7.999 0.000 A 94 ARG HA H 1 4.047 0.000 A 94 ARG HBy H 1 2.150 0.000 A 94 ARG HBx H 1 2.148 0.000 A 94 ARG HDy H 1 2.841 0.000 A 94 ARG HDx H 1 2.719 0.000 A 94 ARG HGy H 1 1.474 0.000 A 94 ARG HGx H 1 1.394 0.000 A 94 ARG C C 13 179.238 0.000 A 94 ARG CA C 13 59.223 0.000 A 94 ARG CB C 13 27.950 0.000 A 94 ARG CD C 13 42.394 0.000 A 94 ARG CG C 13 27.591 0.000 A 94 ARG N N 15 119.009 0.000 A 95 ILE H H 1 7.833 0.000 A 95 ILE HA H 1 3.370 0.000 A 95 ILE HB H 1 1.974 0.000 A 95 ILE HD1% H 1 0.799 0.000 A 95 ILE HG1y H 1 2.022 0.000 A 95 ILE HG1x H 1 2.019 0.000 A 95 ILE HG2% H 1 -0.050 0.000 A 95 ILE C C 13 180.301 0.000 A 95 ILE CA C 13 66.708 0.000 A 95 ILE CB C 13 37.811 0.000 A 95 ILE CD1 C 13 14.279 0.000 A 95 ILE CG1 C 13 30.456 0.000 A 95 ILE CG2 C 13 17.351 0.000 A 95 ILE N N 15 120.696 0.000 A 96 GLY H H 1 8.647 0.000 A 96 GLY HAy H 1 3.751 0.000 A 96 GLY HAx H 1 3.374 0.000 A 96 GLY C C 13 174.651 0.000 A 96 GLY CA C 13 48.910 0.000 A 96 GLY N N 15 108.871 0.000 A 97 ASN H H 1 9.392 0.000 A 97 ASN HA H 1 4.859 0.000 A 97 ASN HB2 H 1 3.007 0.000 A 97 ASN HB3 H 1 3.007 0.000 A 97 ASN C C 13 178.056 0.000 A 97 ASN CA C 13 55.334 0.000 A 97 ASN CB C 13 37.739 0.000 A 97 ASN N N 15 120.231 0.000 A 98 SER H H 1 8.485 0.000 A 98 SER HA H 1 3.983 0.000 A 98 SER HBx H 1 3.891 0.000 A 98 SER HBy H 1 4.059 0.000 A 98 SER C C 13 174.046 0.000 A 98 SER CA C 13 62.700 0.000 A 98 SER CB C 13 62.675 0.000 A 98 SER N N 15 119.411 0.000 A 99 TYR H H 1 7.370 0.000 A 99 TYR HA H 1 4.385 0.000 A 99 TYR HBx H 1 2.616 0.000 A 99 TYR HBy H 1 3.621 0.000 A 99 TYR HDx H 1 6.920 0.000 A 99 TYR HDy H 1 6.920 0.000 A 99 TYR HEx H 1 6.610 0.000 A 99 TYR HEy H 1 6.610 0.000 A 99 TYR C C 13 178.606 0.000 A 99 TYR CA C 13 62.037 0.000 A 99 TYR CB C 13 37.277 0.000 A 99 TYR CDx C 13 132.310 0.000 A 99 TYR CDy C 13 132.310 0.000 A 99 TYR CEx C 13 118.630 0.000 A 99 TYR CEy C 13 118.630 0.000 A 99 TYR N N 15 121.027 0.000 A 100 PHE H H 1 9.013 0.000 A 100 PHE HA H 1 3.635 0.000 A 100 PHE HBy H 1 3.680 0.000 A 100 PHE HBx H 1 3.430 0.000 A 100 PHE HDx H 1 7.380 0.000 A 100 PHE HDy H 1 7.380 0.000 A 100 PHE HEx H 1 7.480 0.000 A 100 PHE HEy H 1 7.480 0.000 A 100 PHE HZ H 1 7.380 0.000 A 100 PHE C C 13 179.898 0.000 A 100 PHE CA C 13 62.062 0.000 A 100 PHE CB C 13 40.139 0.000 A 100 PHE CDx C 13 132.000 0.000 A 100 PHE CDy C 13 132.000 0.000 A 100 PHE CEx C 13 131.500 0.000 A 100 PHE CEy C 13 131.500 0.000 A 100 PHE CZ C 13 131.600 0.000 A 100 PHE N N 15 123.698 0.000 A 101 LYS H H 1 8.164 0.000 A 101 LYS HA H 1 4.105 0.000 A 101 LYS HBy H 1 1.546 0.000 A 101 LYS HBx H 1 1.545 0.000 A 101 LYS HDy H 1 1.860 0.000 A 101 LYS HDx H 1 1.779 0.000 A 101 LYS HE2 H 1 3.103 0.000 A 101 LYS HE3 H 1 3.103 0.000 A 101 LYS HGy H 1 1.698 0.000 A 101 LYS HGx H 1 1.386 0.000 A 101 LYS C C 13 177.609 0.000 A 101 LYS CA C 13 57.734 0.000 A 101 LYS CB C 13 31.574 0.000 A 101 LYS CD C 13 28.222 0.000 A 101 LYS CE C 13 42.021 0.000 A 101 LYS CG C 13 25.150 0.000 A 101 LYS N N 15 118.902 0.000 A 102 GLU H H 1 6.833 0.000 A 102 GLU HA H 1 4.272 0.000 A 102 GLU HBx H 1 2.029 0.000 A 102 GLU HBy H 1 2.244 0.000 A 102 GLU HG2 H 1 2.335 0.000 A 102 GLU HG3 H 1 2.335 0.000 A 102 GLU C C 13 174.433 0.000 A 102 GLU CA C 13 56.337 0.000 A 102 GLU CB C 13 31.222 0.000 A 102 GLU CG C 13 38.297 0.000 A 102 GLU N N 15 115.711 0.000 A 103 GLU H H 1 7.640 0.000 A 103 GLU HA H 1 2.649 0.000 A 103 GLU HB2 H 1 2.011 0.000 A 103 GLU HB3 H 1 2.011 0.000 A 103 GLU HGx H 1 2.010 0.000 A 103 GLU HGy H 1 2.140 0.000 A 103 GLU C C 13 174.956 0.000 A 103 GLU CA C 13 57.082 0.000 A 103 GLU CB C 13 26.081 0.000 A 103 GLU CG C 13 36.863 0.000 A 103 GLU N N 15 112.620 0.000 A 104 LYS H H 1 7.772 0.000 A 104 LYS HA H 1 4.468 0.000 A 104 LYS HBx H 1 1.759 0.000 A 104 LYS HBy H 1 2.150 0.000 A 104 LYS HD2 H 1 1.830 0.000 A 104 LYS HD3 H 1 1.830 0.000 A 104 LYS HEy H 1 3.063 0.000 A 104 LYS HEx H 1 2.992 0.000 A 104 LYS HGy H 1 1.466 0.000 A 104 LYS HGx H 1 1.324 0.000 A 104 LYS C C 13 177.520 0.000 A 104 LYS CA C 13 53.824 0.000 A 104 LYS CB C 13 30.922 0.000 A 104 LYS CD C 13 29.805 0.000 A 104 LYS CE C 13 42.487 0.000 A 104 LYS CG C 13 24.591 0.000 A 104 LYS N N 15 121.427 0.000 A 105 TYR H H 1 6.795 0.000 A 105 TYR HA H 1 3.947 0.000 A 105 TYR HBx H 1 2.709 0.000 A 105 TYR HBy H 1 3.128 0.000 A 105 TYR HDx H 1 6.880 0.000 A 105 TYR HDy H 1 6.880 0.000 A 105 TYR HEx H 1 6.170 0.000 A 105 TYR HEy H 1 6.170 0.000 A 105 TYR C C 13 177.255 0.000 A 105 TYR CA C 13 62.596 0.000 A 105 TYR CB C 13 38.484 0.000 A 105 TYR CDx C 13 131.500 0.000 A 105 TYR CDy C 13 131.500 0.000 A 105 TYR CEx C 13 119.500 0.000 A 105 TYR CEy C 13 119.500 0.000 A 105 TYR N N 15 117.967 0.000 A 106 LYS H H 1 8.743 0.000 A 106 LYS HA H 1 3.975 0.000 A 106 LYS HBx H 1 1.810 0.000 A 106 LYS HBy H 1 1.843 0.000 A 106 LYS HD2 H 1 1.678 0.000 A 106 LYS HD3 H 1 1.678 0.000 A 106 LYS HE2 H 1 2.972 0.000 A 106 LYS HE3 H 1 2.972 0.000 A 106 LYS HGy H 1 1.522 0.000 A 106 LYS HGx H 1 1.385 0.000 A 106 LYS C C 13 179.224 0.000 A 106 LYS CA C 13 60.318 0.000 A 106 LYS CB C 13 31.858 0.000 A 106 LYS CD C 13 29.153 0.000 A 106 LYS CE C 13 41.928 0.000 A 106 LYS CG C 13 25.522 0.000 A 106 LYS N N 15 119.458 0.000 A 107 ASP H H 1 7.483 0.000 A 107 ASP HA H 1 4.195 0.000 A 107 ASP HBx H 1 1.688 0.000 A 107 ASP HBy H 1 1.688 0.000 A 107 ASP C C 13 177.520 0.000 A 107 ASP CA C 13 57.196 0.000 A 107 ASP CB C 13 39.787 0.000 A 107 ASP N N 15 119.634 0.000 A 108 ALA H H 1 8.039 0.000 A 108 ALA HA H 1 4.053 0.000 A 108 ALA HB% H 1 1.597 0.000 A 108 ALA C C 13 177.963 0.000 A 108 ALA CA C 13 56.058 0.000 A 108 ALA CB C 13 17.795 0.000 A 108 ALA N N 15 120.467 0.000 A 109 ILE H H 1 8.305 0.000 A 109 ILE HA H 1 3.882 0.000 A 109 ILE HB H 1 1.918 0.000 A 109 ILE HD1% H 1 0.900 0.000 A 109 ILE HG1y H 1 2.083 0.000 A 109 ILE HG1x H 1 1.426 0.000 A 109 ILE HG2% H 1 1.011 0.000 A 109 ILE C C 13 177.475 0.000 A 109 ILE CA C 13 65.947 0.000 A 109 ILE CB C 13 39.394 0.000 A 109 ILE CD1 C 13 15.117 0.000 A 109 ILE CG1 C 13 30.757 0.000 A 109 ILE CG2 C 13 17.351 0.000 A 109 ILE N N 15 116.973 0.000 A 110 HIS H H 1 7.644 0.000 A 110 HIS HA H 1 4.232 0.000 A 110 HIS HBx H 1 3.037 0.000 A 110 HIS HBy H 1 3.270 0.000 A 110 HIS HD2 H 1 5.500 0.000 A 110 HIS HE1 H 1 7.550 0.000 A 110 HIS C C 13 178.494 0.000 A 110 HIS CA C 13 59.968 0.000 A 110 HIS CB C 13 29.898 0.000 A 110 HIS CD2 C 13 120.800 0.000 A 110 HIS CE1 C 13 138.600 0.000 A 110 HIS N N 15 119.014 0.000 A 111 PHE H H 1 7.731 0.000 A 111 PHE HA H 1 3.947 0.000 A 111 PHE HBx H 1 2.653 0.000 A 111 PHE HBy H 1 3.468 0.000 A 111 PHE HDx H 1 7.650 0.000 A 111 PHE HDy H 1 7.650 0.000 A 111 PHE HEx H 1 7.160 0.000 A 111 PHE HEy H 1 7.160 0.000 A 111 PHE C C 13 178.919 0.000 A 111 PHE CA C 13 63.889 0.000 A 111 PHE CB C 13 38.742 0.000 A 111 PHE CDx C 13 131.800 0.000 A 111 PHE CDy C 13 131.800 0.000 A 111 PHE CEx C 13 132.000 0.000 A 111 PHE CEy C 13 132.000 0.000 A 111 PHE N N 15 116.069 0.000 A 112 TYR H H 1 9.586 0.000 A 112 TYR HA H 1 4.592 0.000 A 112 TYR HBx H 1 2.932 0.000 A 112 TYR HBy H 1 3.323 0.000 A 112 TYR HDx H 1 6.950 0.000 A 112 TYR HDy H 1 6.950 0.000 A 112 TYR HEx H 1 6.830 0.000 A 112 TYR HEy H 1 6.830 0.000 A 112 TYR C C 13 178.759 0.000 A 112 TYR CA C 13 58.696 0.000 A 112 TYR CB C 13 36.262 0.000 A 112 TYR CDx C 13 130.600 0.000 A 112 TYR CDy C 13 130.600 0.000 A 112 TYR CEx C 13 117.500 0.000 A 112 TYR CEy C 13 117.500 0.000 A 112 TYR N N 15 122.350 0.000 A 113 ASN H H 1 8.939 0.000 A 113 ASN HA H 1 4.536 0.000 A 113 ASN HBx H 1 2.537 0.000 A 113 ASN HBy H 1 2.894 0.000 A 113 ASN HD21 H 1 7.110 0.000 A 113 ASN HD22 H 1 6.890 0.000 A 113 ASN C C 13 179.016 0.000 A 113 ASN CA C 13 56.710 0.000 A 113 ASN CB C 13 37.532 0.000 A 113 ASN N N 15 118.773 0.000 A 113 ASN ND2 N 15 111.500 0.000 A 114 LYS H H 1 7.343 0.000 A 114 LYS HA H 1 3.761 0.000 A 114 LYS HBx H 1 1.303 0.000 A 114 LYS HBy H 1 1.303 0.000 A 114 LYS HDy H 1 1.062 0.000 A 114 LYS HDx H 1 1.021 0.000 A 114 LYS HEy H 1 2.568 0.000 A 114 LYS HEx H 1 2.446 0.000 A 114 LYS HGx H 1 0.823 0.000 A 114 LYS HGy H 1 0.897 0.000 A 114 LYS C C 13 178.601 0.000 A 114 LYS CA C 13 59.409 0.000 A 114 LYS CB C 13 30.541 0.000 A 114 LYS CD C 13 28.522 0.000 A 114 LYS CE C 13 41.370 0.000 A 114 LYS CG C 13 24.405 0.000 A 114 LYS N N 15 121.153 0.000 A 115 SER H H 1 8.017 0.000 A 115 SER HA H 1 4.208 0.000 A 115 SER HBx H 1 4.282 0.000 A 115 SER HBy H 1 4.712 0.000 A 115 SER C C 13 176.635 0.000 A 115 SER CA C 13 62.616 0.000 A 115 SER CB C 13 63.713 0.000 A 115 SER N N 15 112.124 0.000 A 116 LEU H H 1 8.741 0.000 A 116 LEU HA H 1 4.151 0.000 A 116 LEU HBx H 1 1.424 0.000 A 116 LEU HBy H 1 1.962 0.000 A 116 LEU HDx% H 1 1.062 0.000 A 116 LEU HDy% H 1 0.880 0.000 A 116 LEU HG H 1 2.043 0.000 A 116 LEU C C 13 178.034 0.000 A 116 LEU CA C 13 57.010 0.000 A 116 LEU CB C 13 42.114 0.000 A 116 LEU CDx C 13 24.519 0.000 A 116 LEU CDy C 13 25.522 0.000 A 116 LEU CG C 13 27.033 0.000 A 116 LEU N N 15 117.778 0.000 A 117 ALA H H 1 7.657 0.000 A 117 ALA HA H 1 4.049 0.000 A 117 ALA HB% H 1 1.441 0.000 A 117 ALA C C 13 179.291 0.000 A 117 ALA CA C 13 54.031 0.000 A 117 ALA CB C 13 18.189 0.000 A 117 ALA N N 15 119.035 0.000 A 118 GLU H H 1 7.318 0.000 A 118 GLU HA H 1 4.352 0.000 A 118 GLU HBx H 1 2.299 0.000 A 118 GLU HBy H 1 2.513 0.000 A 118 GLU HGx H 1 2.406 0.000 A 118 GLU HGy H 1 2.612 0.000 A 118 GLU C C 13 176.847 0.000 A 118 GLU CA C 13 57.641 0.000 A 118 GLU CB C 13 30.395 0.000 A 118 GLU CG C 13 35.577 0.000 A 118 GLU N N 15 116.735 0.000 A 119 HIS H H 1 8.399 0.000 A 119 HIS HA H 1 4.792 0.000 A 119 HIS HBx H 1 2.948 0.000 A 119 HIS HBy H 1 3.072 0.000 A 119 HIS HD2 H 1 7.136 0.000 A 119 HIS HE1 H 1 7.740 0.000 A 119 HIS C C 13 172.886 0.000 A 119 HIS CA C 13 55.779 0.000 A 119 HIS CB C 13 33.689 0.000 A 119 HIS CD2 C 13 119.500 0.000 A 119 HIS CE1 C 13 138.300 0.000 A 119 HIS N N 15 117.007 0.000 A 120 ARG H H 1 8.806 0.000 A 120 ARG HA H 1 4.152 0.000 A 120 ARG HB2 H 1 1.778 0.000 A 120 ARG HB3 H 1 1.778 0.000 A 120 ARG HDy H 1 3.206 0.000 A 120 ARG HDx H 1 3.204 0.000 A 120 ARG HGx H 1 1.456 0.000 A 120 ARG HGy H 1 1.648 0.000 A 120 ARG C C 13 175.063 0.000 A 120 ARG CA C 13 57.827 0.000 A 120 ARG CB C 13 29.737 0.000 A 120 ARG CD C 13 43.304 0.000 A 120 ARG CG C 13 28.057 0.000 A 120 ARG N N 15 130.659 0.000 A 121 THR H H 1 6.599 0.000 A 121 THR HA H 1 4.787 0.000 A 121 THR HB H 1 4.254 0.000 A 121 THR HG2% H 1 0.951 0.000 A 121 THR C C 13 173.217 0.000 A 121 THR CA C 13 57.638 0.000 A 121 THR CB C 13 70.679 0.000 A 121 THR CG2 C 13 22.148 0.000 A 121 THR N N 15 113.999 0.000 A 122 PRO HA H 1 4.256 0.000 A 122 PRO HBx H 1 2.012 0.000 A 122 PRO HBy H 1 2.376 0.000 A 122 PRO HDx H 1 3.822 0.000 A 122 PRO HDy H 1 3.909 0.000 A 122 PRO HGx H 1 2.075 0.000 A 122 PRO HGy H 1 2.180 0.000 A 122 PRO CA C 13 64.809 0.000 A 122 PRO CB C 13 31.760 0.000 A 122 PRO CD C 13 50.938 0.000 A 122 PRO CG C 13 27.198 0.000 A 123 ASP H H 1 8.642 0.000 A 123 ASP HA H 1 4.292 0.000 A 123 ASP HB2 H 1 2.569 0.000 A 123 ASP HB3 H 1 2.569 0.000 A 123 ASP C C 13 178.477 0.000 A 123 ASP CA C 13 56.844 0.000 A 123 ASP CB C 13 40.159 0.000 A 123 ASP N N 15 115.898 0.000 A 124 VAL H H 1 7.045 0.000 A 124 VAL HA H 1 3.332 0.000 A 124 VAL HB H 1 1.967 0.000 A 124 VAL HGx% H 1 0.957 0.000 A 124 VAL HGy% H 1 0.944 0.000 A 124 VAL C C 13 177.166 0.000 A 124 VAL CA C 13 66.133 0.000 A 124 VAL CB C 13 31.129 0.000 A 124 VAL CGx C 13 22.099 0.000 A 124 VAL CGy C 13 24.426 0.000 A 124 VAL N N 15 119.650 0.000 A 125 LEU H H 1 7.547 0.000 A 125 LEU HA H 1 3.927 0.000 A 125 LEU HBx H 1 1.586 0.000 A 125 LEU HBy H 1 1.723 0.000 A 125 LEU HD1% H 1 0.874 0.000 A 125 LEU HD2% H 1 0.874 0.000 A 125 LEU HG H 1 1.530 0.000 A 125 LEU C C 13 178.548 0.000 A 125 LEU CA C 13 58.671 0.000 A 125 LEU CB C 13 41.866 0.000 A 125 LEU CDy C 13 25.149 0.000 A 125 LEU CDx C 13 24.054 0.000 A 125 LEU CG C 13 26.754 0.000 A 125 LEU N N 15 121.626 0.000 A 126 LYS H H 1 7.795 0.000 A 126 LYS HA H 1 4.014 0.000 A 126 LYS HB2 H 1 1.837 0.000 A 126 LYS HB3 H 1 1.837 0.000 A 126 LYS HDy H 1 1.684 0.000 A 126 LYS HDx H 1 1.680 0.000 A 126 LYS HE2 H 1 2.944 0.000 A 126 LYS HE3 H 1 2.944 0.000 A 126 LYS HGy H 1 1.537 0.000 A 126 LYS HGx H 1 1.386 0.000 A 126 LYS C C 13 179.345 0.000 A 126 LYS CA C 13 59.462 0.000 A 126 LYS CB C 13 32.367 0.000 A 126 LYS CD C 13 29.251 0.000 A 126 LYS CE C 13 42.021 0.000 A 126 LYS CG C 13 25.115 0.000 A 126 LYS N N 15 117.377 0.000 A 127 LYS H H 1 7.342 0.000 A 127 LYS HA H 1 3.903 0.000 A 127 LYS HBy H 1 1.366 0.000 A 127 LYS HBx H 1 1.247 0.000 A 127 LYS HDy H 1 1.366 0.000 A 127 LYS HDx H 1 1.251 0.000 A 127 LYS HEx H 1 2.289 0.000 A 127 LYS HEy H 1 2.519 0.000 A 127 LYS HGy H 1 1.256 0.000 A 127 LYS HGx H 1 1.251 0.000 A 127 LYS C C 13 177.910 0.000 A 127 LYS CA C 13 58.127 0.000 A 127 LYS CB C 13 31.595 0.000 A 127 LYS CD C 13 27.964 0.000 A 127 LYS CE C 13 41.649 0.000 A 127 LYS CG C 13 24.799 0.000 A 127 LYS N N 15 119.985 0.000 A 128 CYS H H 1 8.271 0.000 A 128 CYS HA H 1 4.071 0.000 A 128 CYS HBx H 1 2.516 0.000 A 128 CYS HBy H 1 3.286 0.000 A 128 CYS C C 13 176.718 0.000 A 128 CYS CA C 13 63.133 0.000 A 128 CYS CB C 13 26.288 0.000 A 128 CYS N N 15 119.772 0.000 A 129 GLN H H 1 8.277 0.000 A 129 GLN HA H 1 4.163 0.000 A 129 GLN HBx H 1 2.038 0.000 A 129 GLN HBy H 1 2.306 0.000 A 129 GLN HGy H 1 2.679 0.000 A 129 GLN HGx H 1 2.429 0.000 A 129 GLN C C 13 179.492 0.000 A 129 GLN CA C 13 59.037 0.000 A 129 GLN CB C 13 28.057 0.000 A 129 GLN CG C 13 34.367 0.000 A 129 GLN N N 15 117.454 0.000 A 130 GLN H H 1 8.209 0.000 A 130 GLN HA H 1 4.124 0.000 A 130 GLN HBx H 1 2.311 0.000 A 130 GLN HBy H 1 2.405 0.000 A 130 GLN HGy H 1 2.637 0.000 A 130 GLN HGx H 1 2.488 0.000 A 130 GLN C C 13 178.388 0.000 A 130 GLN CA C 13 59.130 0.000 A 130 GLN CB C 13 28.336 0.000 A 130 GLN CG C 13 33.901 0.000 A 130 GLN N N 15 120.672 0.000 A 131 ALA H H 1 8.488 0.000 A 131 ALA HA H 1 4.022 0.000 A 131 ALA HB% H 1 1.938 0.000 A 131 ALA C C 13 178.280 0.000 A 131 ALA CA C 13 55.499 0.000 A 131 ALA CB C 13 18.589 0.000 A 131 ALA N N 15 121.550 0.000 A 132 GLU H H 1 8.516 0.000 A 132 GLU HA H 1 3.882 0.000 A 132 GLU HBy H 1 2.253 0.000 A 132 GLU HBx H 1 2.039 0.000 A 132 GLU HGy H 1 2.619 0.000 A 132 GLU HGx H 1 2.612 0.000 A 132 GLU C C 13 178.937 0.000 A 132 GLU CA C 13 59.803 0.000 A 132 GLU CB C 13 30.321 0.000 A 132 GLU CG C 13 37.367 0.000 A 132 GLU N N 15 116.853 0.000 A 133 LYS H H 1 7.867 0.000 A 133 LYS HA H 1 3.994 0.000 A 133 LYS HBx H 1 1.971 0.000 A 133 LYS HBy H 1 1.974 0.000 A 133 LYS HD2 H 1 1.673 0.000 A 133 LYS HD3 H 1 1.673 0.000 A 133 LYS HEx H 1 3.002 0.000 A 133 LYS HEy H 1 3.005 0.000 A 133 LYS HGy H 1 1.537 0.000 A 133 LYS HGx H 1 1.405 0.000 A 133 LYS C C 13 178.618 0.000 A 133 LYS CA C 13 59.503 0.000 A 133 LYS CB C 13 32.412 0.000 A 133 LYS CD C 13 29.267 0.000 A 133 LYS CE C 13 41.928 0.000 A 133 LYS CG C 13 25.078 0.000 A 133 LYS N N 15 120.138 0.000 A 134 ILE H H 1 7.747 0.000 A 134 ILE HA H 1 3.612 0.000 A 134 ILE HB H 1 1.194 0.000 A 134 ILE HD1% H 1 0.617 0.000 A 134 ILE HG1y H 1 1.643 0.000 A 134 ILE HG1x H 1 0.889 0.000 A 134 ILE HG2% H 1 0.374 0.000 A 134 ILE C C 13 178.884 0.000 A 134 ILE CA C 13 64.902 0.000 A 134 ILE CB C 13 38.204 0.000 A 134 ILE CD1 C 13 13.813 0.000 A 134 ILE CG1 C 13 29.153 0.000 A 134 ILE CG2 C 13 17.444 0.000 A 134 ILE N N 15 119.746 0.000 A 135 LEU H H 1 7.735 0.000 A 135 LEU HA H 1 4.007 0.000 A 135 LEU HBx H 1 1.719 0.000 A 135 LEU HBy H 1 1.723 0.000 A 135 LEU HDx% H 1 0.953 0.000 A 135 LEU HDy% H 1 0.950 0.000 A 135 LEU HG H 1 1.678 0.000 A 135 LEU C C 13 179.471 0.000 A 135 LEU CA C 13 57.661 0.000 A 135 LEU CB C 13 42.304 0.000 A 135 LEU CDy C 13 25.450 0.000 A 135 LEU CDx C 13 24.841 0.000 A 135 LEU CG C 13 26.754 0.000 A 135 LEU N N 15 119.242 0.000 A 136 LYS H H 1 7.810 0.000 A 136 LYS HA H 1 4.161 0.000 A 136 LYS HBx H 1 1.961 0.000 A 136 LYS HBy H 1 1.964 0.000 A 136 LYS HDx H 1 1.631 0.000 A 136 LYS HDy H 1 1.709 0.000 A 136 LYS HE2 H 1 2.997 0.000 A 136 LYS HE3 H 1 2.997 0.000 A 136 LYS HGy H 1 1.542 0.000 A 136 LYS HGx H 1 1.537 0.000 A 136 LYS C C 13 178.246 0.000 A 136 LYS CA C 13 58.119 0.000 A 136 LYS CB C 13 32.440 0.000 A 136 LYS CD C 13 28.874 0.000 A 136 LYS CE C 13 41.928 0.000 A 136 LYS CG C 13 25.057 0.000 A 136 LYS N N 15 117.964 0.000 A 137 GLU H H 1 7.793 0.000 A 137 GLU HA H 1 4.245 0.000 A 137 GLU HB2 H 1 2.150 0.000 A 137 GLU HB3 H 1 2.150 0.000 A 137 GLU HGy H 1 2.497 0.000 A 137 GLU HGx H 1 2.305 0.000 A 137 GLU C C 13 177.095 0.000 A 137 GLU CA C 13 57.482 0.000 A 137 GLU CB C 13 29.640 0.000 A 137 GLU CG C 13 36.715 0.000 A 137 GLU N N 15 117.818 0.000 A 138 GLN H H 1 7.737 0.000 A 138 GLN HA H 1 4.403 0.000 A 138 GLN HBx H 1 2.141 0.000 A 138 GLN HBy H 1 2.271 0.000 A 138 GLN HGx H 1 2.497 0.000 A 138 GLN HGy H 1 2.598 0.000 A 138 GLN C C 13 175.413 0.000 A 138 GLN CA C 13 55.986 0.000 A 138 GLN CB C 13 29.498 0.000 A 138 GLN CG C 13 33.994 0.000 A 138 GLN N N 15 118.229 0.000 A 139 GLU H H 1 7.692 0.000 A 139 GLU HA H 1 4.116 0.000 A 139 GLU HB2 H 1 2.000 0.000 A 139 GLU HB3 H 1 2.000 0.000 A 139 GLU HGy H 1 2.310 0.000 A 139 GLU HGx H 1 2.270 0.000 A 139 GLU C C 13 181.204 0.000 A 139 GLU CA C 13 58.583 0.000 A 139 GLU CB C 13 31.100 0.000 A 139 GLU CG C 13 37.056 0.000 A 139 GLU N N 15 126.451 0.000 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 A 15 LEU H A 11 LYS O 1.0 1.8 2.5 2 2 A 11 LYS O A 15 LEU N 1.0 2.5 3.5 3 3 A 16 LYS H A 12 LYS O 1.0 1.8 2.5 4 4 A 12 LYS O A 16 LYS N 1.0 2.5 3.5 5 5 A 17 GLU H A 13 GLN O 1.0 1.8 2.5 6 6 A 13 GLN O A 17 GLU N 1.0 2.5 3.5 7 7 A 18 LYS H A 14 ALA O 1.0 1.8 2.5 8 8 A 14 ALA O A 18 LYS N 1.0 2.5 3.5 9 9 A 19 GLU H A 15 LEU O 1.0 1.8 2.5 10 10 A 15 LEU O A 19 GLU N 1.0 2.5 3.5 11 11 A 20 LEU H A 16 LYS O 1.0 1.8 2.5 12 12 A 16 LYS O A 20 LEU N 1.0 2.5 3.5 13 13 A 21 GLY H A 17 GLU O 1.0 1.8 2.5 14 14 A 17 GLU O A 21 GLY N 1.0 2.5 3.5 15 15 A 22 ASN H A 18 LYS O 1.0 1.8 2.5 16 16 A 18 LYS O A 22 ASN N 1.0 2.5 3.5 17 17 A 23 ASP H A 19 GLU O 1.0 1.8 2.5 18 18 A 19 GLU O A 23 ASP N 1.0 2.5 3.5 19 19 A 24 ALA H A 20 LEU O 1.0 1.8 2.5 20 20 A 20 LEU O A 24 ALA N 1.0 2.5 3.5 21 21 A 25 TYR H A 21 GLY O 1.0 1.8 2.5 22 22 A 21 GLY O A 25 TYR N 1.0 2.5 3.5 23 23 A 26 LYS H A 22 ASN O 1.0 1.8 2.5 24 24 A 22 ASN O A 26 LYS N 1.0 2.5 3.5 25 25 A 34 LEU H A 30 PHE O 1.0 1.8 2.5 26 26 A 30 PHE O A 34 LEU N 1.0 2.5 3.5 27 27 A 35 LYS H A 31 ASP O 1.0 1.8 2.5 28 28 A 31 ASP O A 35 LYS N 1.0 2.5 3.5 29 29 A 36 HIS H A 32 THR O 1.0 1.8 2.5 30 30 A 32 THR O A 36 HIS N 1.0 2.5 3.5 31 31 A 37 TYR H A 33 ALA O 1.0 1.8 2.5 32 32 A 33 ALA O A 37 TYR N 1.0 2.5 3.5 33 33 A 38 ASP H A 34 LEU O 1.0 1.8 2.5 34 34 A 34 LEU O A 38 ASP N 1.0 2.5 3.5 35 35 A 39 LYS H A 35 LYS O 1.0 1.8 2.5 36 36 A 35 LYS O A 39 LYS N 1.0 2.5 3.5 37 37 A 40 ALA H A 36 HIS O 1.0 1.8 2.5 38 38 A 36 HIS O A 40 ALA N 1.0 2.5 3.5 39 39 A 41 LYS H A 37 TYR O 1.0 1.8 2.5 40 40 A 37 TYR O A 41 LYS N 1.0 2.5 3.5 41 41 A 42 GLU H A 38 ASP O 1.0 1.8 2.5 42 42 A 38 ASP O A 42 GLU N 1.0 2.5 3.5 43 43 A 43 LEU H A 39 LYS O 1.0 1.8 2.5 44 44 A 39 LYS O A 43 LEU N 1.0 2.5 3.5 45 45 A 44 ASP H A 40 ALA O 1.0 1.8 2.5 46 46 A 40 ALA O A 44 ASP N 1.0 2.5 3.5 47 47 A 52 THR H A 48 MET O 1.0 1.8 2.5 48 48 A 48 MET O A 52 THR N 1.0 2.5 3.5 49 49 A 53 ASN H A 49 THR O 1.0 1.8 2.5 50 50 A 49 THR O A 53 ASN N 1.0 2.5 3.5 51 51 A 54 GLN H A 50 TYR O 1.0 1.8 2.5 52 52 A 50 TYR O A 54 GLN N 1.0 2.5 3.5 53 53 A 55 ALA H A 51 ILE O 1.0 1.8 2.5 54 54 A 51 ILE O A 55 ALA N 1.0 2.5 3.5 55 55 A 56 ALA H A 52 THR O 1.0 1.8 2.5 56 56 A 52 THR O A 56 ALA N 1.0 2.5 3.5 57 57 A 57 VAL H A 53 ASN O 1.0 1.8 2.5 58 58 A 53 ASN O A 57 VAL N 1.0 2.5 3.5 59 59 A 58 TYR H A 54 GLN O 1.0 1.8 2.5 60 60 A 54 GLN O A 58 TYR N 1.0 2.5 3.5 61 61 A 59 PHE H A 55 ALA O 1.0 1.8 2.5 62 62 A 55 ALA O A 59 PHE N 1.0 2.5 3.5 63 63 A 60 GLU H A 56 ALA O 1.0 1.8 2.5 64 64 A 56 ALA O A 60 GLU N 1.0 2.5 3.5 65 65 A 61 LYS H A 57 VAL O 1.0 1.8 2.5 66 66 A 57 VAL O A 61 LYS N 1.0 2.5 3.5 67 67 A 67 CYS H A 63 ASP O 1.0 1.8 2.5 68 68 A 63 ASP O A 67 CYS N 1.0 2.5 3.5 69 69 A 68 ARG H A 64 TYR O 1.0 1.8 2.5 70 70 A 64 TYR O A 68 ARG N 1.0 2.5 3.5 71 71 A 69 GLU H A 65 ASN O 1.0 1.8 2.5 72 72 A 65 ASN O A 69 GLU N 1.0 2.5 3.5 73 73 A 70 LEU H A 66 LYS O 1.0 1.8 2.5 74 74 A 66 LYS O A 70 LEU N 1.0 2.5 3.5 75 75 A 71 CYS H A 67 CYS O 1.0 1.8 2.5 76 76 A 67 CYS O A 71 CYS N 1.0 2.5 3.5 77 77 A 72 GLU H A 68 ARG O 1.0 1.8 2.5 78 78 A 68 ARG O A 72 GLU N 1.0 2.5 3.5 79 79 A 73 LYS H A 69 GLU O 1.0 1.8 2.5 80 80 A 69 GLU O A 73 LYS N 1.0 2.5 3.5 81 81 A 74 ALA H A 70 LEU O 1.0 1.8 2.5 82 82 A 70 LEU O A 74 ALA N 1.0 2.5 3.5 83 83 A 75 ILE H A 71 CYS O 1.0 1.8 2.5 84 84 A 71 CYS O A 75 ILE N 1.0 2.5 3.5 85 85 A 76 GLU H A 72 GLU O 1.0 1.8 2.5 86 86 A 72 GLU O A 76 GLU N 1.0 2.5 3.5 87 87 A 77 VAL H A 73 LYS O 1.0 1.8 2.5 88 88 A 73 LYS O A 77 VAL N 1.0 2.5 3.5 89 89 A 78 GLY H A 74 ALA O 1.0 1.8 2.5 90 90 A 74 ALA O A 78 GLY N 1.0 2.5 3.5 91 91 A 79 ARG H A 75 ILE O 1.0 1.8 2.5 92 92 A 75 ILE O A 79 ARG N 1.0 2.5 3.5 93 93 A 80 GLU H A 76 GLU O 1.0 1.8 2.5 94 94 A 76 GLU O A 80 GLU N 1.0 2.5 3.5 95 95 A 81 ASN H A 77 VAL O 1.0 1.8 2.5 96 96 A 77 VAL O A 81 ASN N 1.0 2.5 3.5 97 97 A 82 ARG H A 78 GLY O 1.0 1.8 2.5 98 98 A 78 GLY O A 82 ARG N 1.0 2.5 3.5 99 99 A 88 ILE H A 84 ASP O 1.0 1.8 2.5 100 100 A 84 ASP O A 88 ILE N 1.0 2.5 3.5 101 101 A 89 ALA H A 85 TYR O 1.0 1.8 2.5 102 102 A 85 TYR O A 89 ALA N 1.0 2.5 3.5 103 103 A 90 LYS H A 86 ARG O 1.0 1.8 2.5 104 104 A 86 ARG O A 90 LYS N 1.0 2.5 3.5 105 105 A 91 ALA H A 87 GLN O 1.0 1.8 2.5 106 106 A 87 GLN O A 91 ALA N 1.0 2.5 3.5 107 107 A 92 TYR H A 88 ILE O 1.0 1.8 2.5 108 108 A 88 ILE O A 92 TYR N 1.0 2.5 3.5 109 109 A 93 ALA H A 89 ALA O 1.0 1.8 2.5 110 110 A 89 ALA O A 93 ALA N 1.0 2.5 3.5 111 111 A 94 ARG H A 90 LYS O 1.0 1.8 2.5 112 112 A 90 LYS O A 94 ARG N 1.0 2.5 3.5 113 113 A 95 ILE H A 91 ALA O 1.0 1.8 2.5 114 114 A 91 ALA O A 95 ILE N 1.0 2.5 3.5 115 115 A 96 GLY H A 92 TYR O 1.0 1.8 2.5 116 116 A 92 TYR O A 96 GLY N 1.0 2.5 3.5 117 117 A 97 ASN H A 93 ALA O 1.0 1.8 2.5 118 118 A 93 ALA O A 97 ASN N 1.0 2.5 3.5 119 119 A 98 SER H A 94 ARG O 1.0 1.8 2.5 120 120 A 94 ARG O A 98 SER N 1.0 2.5 3.5 121 121 A 99 TYR H A 95 ILE O 1.0 1.8 2.5 122 122 A 95 ILE O A 99 TYR N 1.0 2.5 3.5 123 123 A 100 PHE H A 96 GLY O 1.0 1.8 2.5 124 124 A 96 GLY O A 100 PHE N 1.0 2.5 3.5 125 125 A 101 LYS H A 97 ASN O 1.0 1.8 2.5 126 126 A 97 ASN O A 101 LYS N 1.0 2.5 3.5 127 127 A 102 GLU H A 98 SER O 1.0 1.8 2.5 128 128 A 98 SER O A 102 GLU N 1.0 2.5 3.5 129 129 A 103 GLU H A 99 TYR O 1.0 1.8 2.5 130 130 A 99 TYR O A 103 GLU N 1.0 2.5 3.5 131 131 A 108 ALA H A 104 LYS O 1.0 1.8 2.5 132 132 A 104 LYS O A 108 ALA N 1.0 2.5 3.5 133 133 A 109 ILE H A 105 TYR O 1.0 1.8 2.5 134 134 A 105 TYR O A 109 ILE N 1.0 2.5 3.5 135 135 A 110 HIS H A 106 LYS O 1.0 1.8 2.5 136 136 A 106 LYS O A 110 HIS N 1.0 2.5 3.5 137 137 A 111 PHE H A 107 ASP O 1.0 1.8 2.5 138 138 A 107 ASP O A 111 PHE N 1.0 2.5 3.5 139 139 A 112 TYR H A 108 ALA O 1.0 1.8 2.5 140 140 A 108 ALA O A 112 TYR N 1.0 2.5 3.5 141 141 A 113 ASN H A 109 ILE O 1.0 1.8 2.5 142 142 A 109 ILE O A 113 ASN N 1.0 2.5 3.5 143 143 A 114 LYS H A 110 HIS O 1.0 1.8 2.5 144 144 A 110 HIS O A 114 LYS N 1.0 2.5 3.5 145 145 A 115 SER H A 111 PHE O 1.0 1.8 2.5 146 146 A 111 PHE O A 115 SER N 1.0 2.5 3.5 147 147 A 116 LEU H A 112 TYR O 1.0 1.8 2.5 148 148 A 112 TYR O A 116 LEU N 1.0 2.5 3.5 149 149 A 117 ALA H A 113 ASN O 1.0 1.8 2.5 150 150 A 113 ASN O A 117 ALA N 1.0 2.5 3.5 151 151 A 118 GLU H A 114 LYS O 1.0 1.8 2.5 152 152 A 114 LYS O A 118 GLU N 1.0 2.5 3.5 153 153 A 119 HIS H A 115 SER O 1.0 1.8 2.5 154 154 A 115 SER O A 119 HIS N 1.0 2.5 3.5 155 155 A 125 LEU H A 121 THR O 1.0 1.8 2.5 156 156 A 121 THR O A 125 LEU N 1.0 2.5 3.5 157 157 A 126 LYS H A 122 PRO O 1.0 1.8 2.5 158 158 A 122 PRO O A 126 LYS N 1.0 2.5 3.5 159 159 A 127 LYS H A 123 ASP O 1.0 1.8 2.5 160 160 A 123 ASP O A 127 LYS N 1.0 2.5 3.5 161 161 A 128 CYS H A 124 VAL O 1.0 1.8 2.5 162 162 A 124 VAL O A 128 CYS N 1.0 2.5 3.5 163 163 A 129 GLN H A 125 LEU O 1.0 1.8 2.5 164 164 A 125 LEU O A 129 GLN N 1.0 2.5 3.5 165 165 A 130 GLN H A 126 LYS O 1.0 1.8 2.5 166 166 A 126 LYS O A 130 GLN N 1.0 2.5 3.5 167 167 A 131 ALA H A 127 LYS O 1.0 1.8 2.5 168 168 A 127 LYS O A 131 ALA N 1.0 2.5 3.5 169 169 A 132 GLU H A 128 CYS O 1.0 1.8 2.5 170 170 A 128 CYS O A 132 GLU N 1.0 2.5 3.5 171 171 A 133 LYS H A 129 GLN O 1.0 1.8 2.5 172 172 A 129 GLN O A 133 LYS N 1.0 2.5 3.5 173 173 A 134 ILE H A 130 GLN O 1.0 1.8 2.5 174 174 A 130 GLN O A 134 ILE N 1.0 2.5 3.5 175 175 A 135 LEU H A 131 ALA O 1.0 1.8 2.5 176 176 A 131 ALA O A 135 LEU N 1.0 2.5 3.5 177 177 A 136 LYS H A 132 GLU O 1.0 1.8 2.5 178 178 A 132 GLU O A 136 LYS N 1.0 2.5 3.5 179 179 A 137 GLU H A 133 LYS O 1.0 1.8 2.5 180 180 A 133 LYS O A 137 GLU N 1.0 2.5 3.5 181 181 A 138 GLN H A 134 ILE O 1.0 1.8 2.5 182 182 A 134 ILE O A 138 GLN N 1.0 2.5 3.5 183 183 A 139 GLU H A 135 LEU O 1.0 1.8 2.5 184 184 A 135 LEU O A 139 GLU N 1.0 2.5 3.5 stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 Hz 1H 10000 . 2 Hz 1H 10004.05 . 3 Hz 13C 14087.86 . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 Hz 1H 5000 . 2 Hz 15N 2270.95 . 3 Hz 1H 10000 . stop_ save_