data_nef_c18904_2m2a 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 MET start . . 2 A 2 SER middle . . 3 A 3 GLU middle . . 4 A 4 SER middle . . 5 A 5 VAL middle . . 6 A 6 GLN middle . . 7 A 7 SER middle . . 8 A 8 ASN middle . . 9 A 9 SER middle . . 10 A 10 ALA middle . . 11 A 11 VAL middle . . 12 A 12 LEU middle . . 13 A 13 VAL middle . . 14 A 14 HIS middle . . 15 A 15 PHE middle . . 16 A 16 THR middle . . 17 A 17 LEU middle . . 18 A 18 LYS middle . . 19 A 19 LEU middle . . 20 A 20 ASP middle . . 21 A 21 ASP middle . . 22 A 22 GLY middle . false 23 A 23 THR middle . . 24 A 24 THR middle . . 25 A 25 ALA middle . . 26 A 26 GLU middle . . 27 A 27 SER middle . . 28 A 28 THR middle . . 29 A 29 ARG middle . . 30 A 30 ASN middle . . 31 A 31 ASN middle . . 32 A 32 GLY middle . false 33 A 33 LYS middle . . 34 A 34 PRO middle . false 35 A 35 ALA middle . . 36 A 36 LEU middle . . 37 A 37 PHE middle . . 38 A 38 ARG middle . . 39 A 39 LEU middle . . 40 A 40 GLY middle . false 41 A 41 ASP middle . . 42 A 42 ALA middle . . 43 A 43 SER middle . . 44 A 44 LEU middle . . 45 A 45 SER middle . . 46 A 46 GLU middle . . 47 A 47 GLY middle . false 48 A 48 LEU middle . . 49 A 49 GLU middle . . 50 A 50 GLN middle . . 51 A 51 HIS middle . . 52 A 52 LEU middle . . 53 A 53 LEU middle . . 54 A 54 GLY middle . false 55 A 55 LEU middle . . 56 A 56 LYS middle . . 57 A 57 VAL middle . . 58 A 58 GLY middle . false 59 A 59 ASP middle . . 60 A 60 LYS middle . . 61 A 61 THR middle . . 62 A 62 THR middle . . 63 A 63 PHE middle . . 64 A 64 SER middle . . 65 A 65 LEU middle . . 66 A 66 GLU middle . . 67 A 67 PRO middle . false 68 A 68 ASP middle . . 69 A 69 ALA middle . . 70 A 70 ALA middle . . 71 A 71 PHE middle . . 72 A 72 GLY middle . false 73 A 73 VAL middle . . 74 A 74 PRO middle . false 75 A 75 SER middle . . 76 A 76 PRO middle . false 77 A 77 ASP middle . . 78 A 78 LEU middle . . 79 A 79 ILE middle . . 80 A 80 GLN middle . . 81 A 81 TYR middle . . 82 A 82 PHE middle . . 83 A 83 SER middle . . 84 A 84 ARG middle . . 85 A 85 ARG middle . . 86 A 86 GLU middle . . 87 A 87 PHE middle . . 88 A 88 MET middle . . 89 A 89 ASP middle . . 90 A 90 ALA middle . . 91 A 91 GLY middle . false 92 A 92 GLU middle . . 93 A 93 PRO middle . false 94 A 94 GLU middle . . 95 A 95 ILE middle . . 96 A 96 GLY middle . false 97 A 97 ALA middle . . 98 A 98 ILE middle . . 99 A 99 MET middle . . 100 A 100 LEU middle . . 101 A 101 PHE middle . . 102 A 102 THR middle . . 103 A 103 ALA middle . . 104 A 104 MET middle . . 105 A 105 ASP middle . . 106 A 106 GLY middle . false 107 A 107 SER middle . . 108 A 108 GLU middle . . 109 A 109 MET middle . . 110 A 110 PRO middle . false 111 A 111 GLY middle . false 112 A 112 VAL middle . . 113 A 113 ILE middle . . 114 A 114 ARG middle . . 115 A 115 GLU middle . . 116 A 116 ILE middle . . 117 A 117 ASN middle . . 118 A 118 GLY middle . false 119 A 119 ASP middle . . 120 A 120 SER middle . . 121 A 121 ILE middle . . 122 A 122 THR middle . . 123 A 123 VAL middle . . 124 A 124 ASP middle . . 125 A 125 PHE middle . . 126 A 126 ASN middle . . 127 A 127 HIS middle . . 128 A 128 PRO middle . false 129 A 129 LEU middle . . 130 A 130 ALA middle . . 131 A 131 GLY middle . false 132 A 132 GLN middle . . 133 A 133 THR middle . . 134 A 134 VAL middle . . 135 A 135 HIS middle . . 136 A 136 PHE middle . . 137 A 137 ASP middle . . 138 A 138 ILE middle . . 139 A 139 GLU middle . . 140 A 140 VAL middle . . 141 A 141 LEU middle . . 142 A 142 GLU middle . . 143 A 143 ILE middle . . 144 A 144 ASP middle . . 145 A 145 PRO middle . false 146 A 146 ALA middle . . 147 A 147 LEU middle . . 148 A 148 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 2 SER H H 1 7.7812 0.01 A 2 SER HA H 1 4.367 0.01 A 2 SER HBy H 1 3.906 0.01 A 2 SER HBx H 1 3.789 0.01 A 2 SER CB C 13 63.355 0.01 A 3 GLU H H 1 8.005 0.01 A 3 GLU HA H 1 4.216 0.01 A 3 GLU HBy H 1 1.994 0.01 A 3 GLU HBx H 1 1.866 0.01 A 3 GLU HGy H 1 2.32 0.01 A 3 GLU HGx H 1 2.176 0.01 A 3 GLU CA C 13 57.245 0.01 A 3 GLU CB C 13 30.683 0.01 A 4 SER H H 1 7.765 0.01 A 4 SER HA H 1 4.971 0.01 A 4 SER HBy H 1 3.426 0.01 A 4 SER HBx H 1 3.326 0.01 A 4 SER CA C 13 56.265 0.01 A 4 SER CB C 13 66.752 0.01 A 4 SER N N 15 112.627 0.01 A 5 VAL H H 1 8.967 0.01 A 5 VAL HA H 1 3.326 0.01 A 5 VAL HB H 1 2.292 0.01 A 5 VAL HGx% H 1 0.817 0.01 A 5 VAL HGy% H 1 0.694 0.01 A 5 VAL CA C 13 65.806 0.01 A 5 VAL CB C 13 31.867 0.01 A 5 VAL CGy C 13 22.944 0.01 A 5 VAL CGx C 13 18.291 0.01 A 5 VAL N N 15 122.697 0.01 A 6 GLN H H 1 9.138 0.01 A 6 GLN HA H 1 4.417 0.01 A 6 GLN HBx H 1 1.908 0.01 A 6 GLN HBy H 1 1.908 0.01 A 6 GLN HE2x H 1 6.667 0.01 A 6 GLN HE2y H 1 7.113 0.01 A 6 GLN HGy H 1 2.318 0.01 A 6 GLN HGx H 1 2.257 0.01 A 6 GLN CA C 13 54.007 0.01 A 6 GLN CB C 13 31.648 0.01 A 6 GLN CG C 13 33.728 0.01 A 6 GLN N N 15 130.084 0.01 A 6 GLN NE2 N 15 114.955 0.01 A 7 SER H H 1 8.28 0.01 A 7 SER HA H 1 3.698 0.01 A 7 SER HBy H 1 3.79 0.01 A 7 SER HBx H 1 3.694 0.01 A 7 SER CA C 13 61.654 0.01 A 7 SER CB C 13 63.402 0.01 A 7 SER N N 15 113.297 0.01 A 8 ASN H H 1 7.45 0.01 A 8 ASN HA H 1 4.864 0.01 A 8 ASN HBy H 1 2.798 0.01 A 8 ASN HBx H 1 2.615 0.01 A 8 ASN HD2x H 1 6.725 0.01 A 8 ASN HD2y H 1 7.468 0.01 A 8 ASN CA C 13 51.604 0.01 A 8 ASN CB C 13 38.713 0.01 A 8 ASN N N 15 116.264 0.01 A 8 ASN ND2 N 15 112.484 0.01 A 9 SER H H 1 7.455 0.01 A 9 SER HA H 1 4.53 0.01 A 9 SER HBy H 1 3.81 0.01 A 9 SER HBx H 1 3.585 0.01 A 9 SER CA C 13 61.144 0.01 A 9 SER CB C 13 64.13 0.01 A 9 SER N N 15 117.902 0.01 A 10 ALA H H 1 8.308 0.01 A 10 ALA HA H 1 5.136 0.01 A 10 ALA HB% H 1 1.311 0.01 A 10 ALA CA C 13 50.584 0.01 A 10 ALA CB C 13 20.796 0.01 A 10 ALA N N 15 124.222 0.01 A 11 VAL H H 1 9.468 0.01 A 11 VAL HA H 1 4.611 0.01 A 11 VAL HB H 1 1.825 0.01 A 11 VAL HGx% H 1 0.739 0.01 A 11 VAL HGy% H 1 0.767 0.01 A 11 VAL CA C 13 60.416 0.01 A 11 VAL CB C 13 35.435 0.01 A 11 VAL CGx C 13 23.343 0.01 A 11 VAL CGy C 13 23.343 0.01 A 11 VAL N N 15 122.584 0.01 A 12 LEU H H 1 8.869 0.01 A 12 LEU HA H 1 5.025 0.01 A 12 LEU HBy H 1 1.643 0.01 A 12 LEU HBx H 1 0.946 0.01 A 12 LEU HDx% H 1 0.544 0.01 A 12 LEU HDy% H 1 0.582 0.01 A 12 LEU HG H 1 1.094 0.01 A 12 LEU CA C 13 53.716 0.01 A 12 LEU CB C 13 44.976 0.01 A 12 LEU CDx C 13 23.892 0.01 A 12 LEU CDy C 13 25.535 0.01 A 12 LEU CG C 13 27.44 0.01 A 12 LEU N N 15 131.368 0.01 A 13 VAL H H 1 9.226 0.01 A 13 VAL HA H 1 5.298 0.01 A 13 VAL HB H 1 1.948 0.01 A 13 VAL HGx% H 1 0.016 0.01 A 13 VAL HGy% H 1 0.528 0.01 A 13 VAL CA C 13 58.959 0.01 A 13 VAL CB C 13 35.435 0.01 A 13 VAL CGx C 13 18.139 0.01 A 13 VAL CGy C 13 22.245 0.01 A 13 VAL N N 15 119.755 0.01 A 14 HIS H H 1 8.199 0.01 A 14 HIS HA H 1 5.362 0.01 A 14 HIS HBy H 1 2.597 0.01 A 14 HIS HBx H 1 2.596 0.01 A 14 HIS HD2 H 1 6.722 0.01 A 14 HIS HE1 H 1 6.963 0.01 A 14 HIS CA C 13 55.391 0.01 A 14 HIS CB C 13 34.926 0.01 A 14 HIS CE1 C 13 136.79 0.01 A 14 HIS N N 15 118.135 0.01 A 15 PHE H H 1 9.421 0.01 A 15 PHE HA H 1 6.094 0.01 A 15 PHE HBy H 1 3.186 0.01 A 15 PHE HBx H 1 2.848 0.01 A 15 PHE HDx H 1 6.779 0.01 A 15 PHE HDy H 1 6.779 0.01 A 15 PHE HEx H 1 7.096 0.01 A 15 PHE HEy H 1 7.096 0.01 A 15 PHE HZ H 1 7.337 0.01 A 15 PHE CA C 13 56.483 0.01 A 15 PHE CB C 13 44.539 0.01 A 15 PHE CDy C 13 131.931 0.01 A 15 PHE CEy C 13 131.58 0.01 A 15 PHE CZ C 13 130.403 0.01 A 15 PHE N N 15 118.759 0.01 A 16 THR H H 1 8.813 0.01 A 16 THR HA H 1 4.699 0.01 A 16 THR HB H 1 3.972 0.01 A 16 THR HG2% H 1 1.163 0.01 A 16 THR CA C 13 62.383 0.01 A 16 THR CB C 13 72.215 0.01 A 16 THR CG2 C 13 22.94 0.01 A 16 THR N N 15 116.015 0.01 A 17 LEU H H 1 8.98 0.01 A 17 LEU HA H 1 4.906 0.01 A 17 LEU HBy H 1 1.453 0.01 A 17 LEU HBx H 1 1.33 0.01 A 17 LEU HDx% H 1 0.297 0.01 A 17 LEU HDy% H 1 0.37 0.01 A 17 LEU HG H 1 1.065 0.01 A 17 LEU CA C 13 53.716 0.01 A 17 LEU CB C 13 44.83 0.01 A 17 LEU CDy C 13 24.99 0.01 A 17 LEU CDx C 13 24.692 0.01 A 17 LEU CG C 13 27.44 0.01 A 17 LEU N N 15 128.802 0.01 A 18 LYS H H 1 9.268 0.01 A 18 LYS HA H 1 5.346 0.01 A 18 LYS HBy H 1 1.641 0.01 A 18 LYS HBx H 1 1.494 0.01 A 18 LYS HDx H 1 1.242 0.01 A 18 LYS HDy H 1 1.242 0.01 A 18 LYS HEx H 1 2.679 0.01 A 18 LYS HEy H 1 2.679 0.01 A 18 LYS HGy H 1 1.32 0.01 A 18 LYS HGx H 1 0.887 0.01 A 18 LYS HZ1 H 1 7.869 0.01 A 18 LYS HZ2 H 1 7.869 0.01 A 18 LYS HZ3 H 1 7.869 0.01 A 18 LYS CA C 13 54.735 0.01 A 18 LYS CB C 13 37.547 0.01 A 18 LYS CE C 13 42.07 0.01 A 18 LYS N N 15 126.083 0.01 A 19 LEU H H 1 8.089 0.01 A 19 LEU HA H 1 4.866 0.01 A 19 LEU HBy H 1 1.862 0.01 A 19 LEU HBx H 1 1.774 0.01 A 19 LEU HDx% H 1 0.654 0.01 A 19 LEU HDy% H 1 0.73 0.01 A 19 LEU HG H 1 1.4 0.01 A 19 LEU CA C 13 52.987 0.01 A 19 LEU CB C 13 42.573 0.01 A 19 LEU CDx C 13 21.99 0.01 A 19 LEU CDy C 13 24.85 0.01 A 19 LEU CG C 13 27.42 0.01 A 19 LEU N N 15 118.525 0.01 A 20 ASP H H 1 9.989 0.01 A 20 ASP HA H 1 4.218 0.01 A 20 ASP HBy H 1 2.719 0.01 A 20 ASP HBx H 1 2.564 0.01 A 20 ASP CA C 13 57.503 0.01 A 20 ASP CB C 13 41.043 0.01 A 20 ASP N N 15 123.989 0.01 A 21 ASP H H 1 7.616 0.01 A 21 ASP HA H 1 4.326 0.01 A 21 ASP HBy H 1 2.918 0.01 A 21 ASP HBx H 1 2.448 0.01 A 21 ASP CA C 13 53.497 0.01 A 21 ASP CB C 13 39.951 0.01 A 21 ASP N N 15 116.02 0.01 A 22 GLY H H 1 8.025 0.01 A 22 GLY HAx H 1 3.471 0.01 A 22 GLY HAy H 1 4.171 0.01 A 22 GLY CA C 13 45.049 0.01 A 22 GLY N N 15 108.639 0.01 A 23 THR H H 1 8.09 0.01 A 23 THR HA H 1 3.883 0.01 A 23 THR HB H 1 3.896 0.01 A 23 THR HG2% H 1 0.957 0.01 A 23 THR CA C 13 63.621 0.01 A 23 THR CB C 13 70.175 0.01 A 23 THR CG2 C 13 21.295 0.01 A 23 THR N N 15 116.995 0.01 A 24 THR H H 1 8.752 0.01 A 24 THR HA H 1 4.268 0.01 A 24 THR HB H 1 3.938 0.01 A 24 THR HG2% H 1 0.92 0.01 A 24 THR CA C 13 63.475 0.01 A 24 THR CB C 13 69.01 0.01 A 24 THR CG2 C 13 22.25 0.01 A 24 THR N N 15 121.178 0.01 A 25 ALA H H 1 8.965 0.01 A 25 ALA HA H 1 4.227 0.01 A 25 ALA HB% H 1 1.148 0.01 A 25 ALA CA C 13 53.279 0.01 A 25 ALA CB C 13 19.922 0.01 A 25 ALA N N 15 133.477 0.01 A 26 GLU H H 1 7.437 0.01 A 26 GLU HA H 1 4.357 0.01 A 26 GLU HBy H 1 1.802 0.01 A 26 GLU HBx H 1 1.801 0.01 A 26 GLU HGy H 1 2.092 0.01 A 26 GLU HGx H 1 1.985 0.01 A 26 GLU CA C 13 55.973 0.01 A 26 GLU CB C 13 33.979 0.01 A 26 GLU CG C 13 33.65 0.01 A 26 GLU N N 15 115.239 0.01 A 27 SER H H 1 8.798 0.01 A 27 SER HA H 1 4.954 0.01 A 27 SER HBy H 1 3.802 0.01 A 27 SER HBx H 1 3.425 0.01 A 27 SER CA C 13 56.192 0.01 A 27 SER CB C 13 64.349 0.01 A 27 SER N N 15 118.257 0.01 A 28 THR H H 1 8.583 0.01 A 28 THR HA H 1 4.122 0.01 A 28 THR HB H 1 4.653 0.01 A 28 THR HG2% H 1 0.775 0.01 A 28 THR CA C 13 64.932 0.01 A 28 THR CB C 13 66.461 0.01 A 28 THR CG2 C 13 19.794 0.01 A 28 THR N N 15 121.82 0.01 A 29 ARG H H 1 7.847 0.01 A 29 ARG HA H 1 3.577 0.01 A 29 ARG HBy H 1 1.421 0.01 A 29 ARG HBx H 1 1.242 0.01 A 29 ARG HDy H 1 2.619 0.01 A 29 ARG HDx H 1 2.618 0.01 A 29 ARG HE H 1 6.985 0.01 A 29 ARG HGy H 1 1.764 0.01 A 29 ARG HGx H 1 1.763 0.01 A 29 ARG CA C 13 58.287 0.01 A 29 ARG CB C 13 29.357 0.01 A 29 ARG CD C 13 42.867 0.01 A 29 ARG N N 15 120.35 0.01 A 29 ARG NE N 15 85.109 0.01 A 30 ASN H H 1 7.428 0.01 A 30 ASN HA H 1 4.282 0.01 A 30 ASN HBy H 1 2.728 0.01 A 30 ASN HBx H 1 2.655 0.01 A 30 ASN HD2x H 1 6.849 0.01 A 30 ASN HD2y H 1 7.681 0.01 A 30 ASN CA C 13 55.464 0.01 A 30 ASN CB C 13 37.62 0.01 A 30 ASN N N 15 118.348 0.01 A 30 ASN ND2 N 15 112.51 0.01 A 31 ASN H H 1 7.813 0.01 A 31 ASN HA H 1 4.543 0.01 A 31 ASN HBy H 1 2.889 0.01 A 31 ASN HBx H 1 2.797 0.01 A 31 ASN HD2x H 1 7.028 0.01 A 31 ASN HD2y H 1 7.631 0.01 A 31 ASN CA C 13 53.497 0.01 A 31 ASN CB C 13 38.713 0.01 A 31 ASN N N 15 116.255 0.01 A 31 ASN ND2 N 15 112.193 0.01 A 32 GLY H H 1 7.593 0.01 A 32 GLY HAx H 1 3.684 0.01 A 32 GLY HAy H 1 4.01 0.01 A 32 GLY CA C 13 46.069 0.01 A 32 GLY N N 15 107.719 0.01 A 33 LYS H H 1 7.563 0.01 A 33 LYS HA H 1 4.764 0.01 A 33 LYS HBy H 1 1.681 0.01 A 33 LYS HBx H 1 1.557 0.01 A 33 LYS HDy H 1 1.512 0.01 A 33 LYS HDx H 1 1.473 0.01 A 33 LYS HEx H 1 2.853 0.01 A 33 LYS HEy H 1 2.853 0.01 A 33 LYS HGy H 1 1.342 0.01 A 33 LYS HGx H 1 1.265 0.01 A 33 LYS HZ1 H 1 6.957 0.01 A 33 LYS HZ2 H 1 6.957 0.01 A 33 LYS HZ3 H 1 6.957 0.01 A 33 LYS CA C 13 53.424 0.01 A 33 LYS CB C 13 33.833 0.01 A 33 LYS CE C 13 42.191 0.01 A 33 LYS CG C 13 24.165 0.01 A 33 LYS N N 15 120.459 0.01 A 34 PRO HA H 1 4.026 0.01 A 34 PRO HBy H 1 1.303 0.01 A 34 PRO HBx H 1 1.034 0.01 A 34 PRO HDy H 1 3.513 0.01 A 34 PRO HDx H 1 3.512 0.01 A 34 PRO HGy H 1 1.539 0.01 A 34 PRO HGx H 1 1.112 0.01 A 34 PRO CA C 13 62.819 0.01 A 34 PRO CB C 13 32.785 0.01 A 34 PRO CD C 13 50.78 0.01 A 35 ALA H H 1 8.488 0.01 A 35 ALA HA H 1 4.529 0.01 A 35 ALA HB% H 1 1.275 0.01 A 35 ALA CA C 13 50.505 0.01 A 35 ALA CB C 13 23.08 0.01 A 35 ALA N N 15 123.167 0.01 A 36 LEU H H 1 8.344 0.01 A 36 LEU HA H 1 4.832 0.01 A 36 LEU HBy H 1 1.754 0.01 A 36 LEU HBx H 1 1.052 0.01 A 36 LEU HDx% H 1 0.577 0.01 A 36 LEU HDy% H 1 0.651 0.01 A 36 LEU HG H 1 1.162 0.01 A 36 LEU CA C 13 53.623 0.01 A 36 LEU CB C 13 43.813 0.01 A 36 LEU CDx C 13 24.308 0.01 A 36 LEU CDy C 13 25.671 0.01 A 36 LEU CG C 13 27.572 0.01 A 36 LEU N N 15 122.708 0.01 A 37 PHE H H 1 9.365 0.01 A 37 PHE HA H 1 4.992 0.01 A 37 PHE HBy H 1 3.039 0.01 A 37 PHE HBx H 1 2.798 0.01 A 37 PHE HDx H 1 6.831 0.01 A 37 PHE HDy H 1 6.831 0.01 A 37 PHE HEx H 1 6.845 0.01 A 37 PHE HEy H 1 6.845 0.01 A 37 PHE HZ H 1 6.085 0.01 A 37 PHE CA C 13 53.296 0.01 A 37 PHE CB C 13 40.052 0.01 A 37 PHE CDy C 13 130.667 0.01 A 37 PHE CEy C 13 129.48 0.01 A 37 PHE CZ C 13 128.43 0.01 A 37 PHE N N 15 129.97 0.01 A 38 ARG H H 1 9.127 0.01 A 38 ARG HA H 1 4.628 0.01 A 38 ARG HBy H 1 1.574 0.01 A 38 ARG HBx H 1 1.463 0.01 A 38 ARG HDy H 1 3.045 0.01 A 38 ARG HDx H 1 2.981 0.01 A 38 ARG HE H 1 7.144 0.01 A 38 ARG HGy H 1 1.287 0.01 A 38 ARG HGx H 1 1.286 0.01 A 38 ARG CA C 13 55.245 0.01 A 38 ARG CB C 13 31.575 0.01 A 38 ARG CD C 13 42.902 0.01 A 38 ARG CG C 13 27.837 0.01 A 38 ARG N N 15 125.125 0.01 A 38 ARG NE N 15 85.287 0.01 A 39 LEU H H 1 8.226 0.01 A 39 LEU HA H 1 4.222 0.01 A 39 LEU HBy H 1 1.749 0.01 A 39 LEU HBx H 1 1.493 0.01 A 39 LEU HDx% H 1 0.351 0.01 A 39 LEU HDy% H 1 0.64 0.01 A 39 LEU HG H 1 1.378 0.01 A 39 LEU CA C 13 57.576 0.01 A 39 LEU CB C 13 41.99 0.01 A 39 LEU CDy C 13 26.41 0.01 A 39 LEU CDx C 13 23.07 0.01 A 39 LEU CG C 13 19.501 0.01 A 39 LEU N N 15 125.298 0.01 A 40 GLY H H 1 9.202 0.01 A 40 GLY HAx H 1 3.816 0.01 A 40 GLY HAy H 1 4.123 0.01 A 40 GLY CA C 13 46.651 0.01 A 40 GLY N N 15 108.053 0.01 A 41 ASP H H 1 7.865 0.01 A 41 ASP HA H 1 4.648 0.01 A 41 ASP HBy H 1 2.803 0.01 A 41 ASP HBx H 1 2.154 0.01 A 41 ASP CA C 13 52.623 0.01 A 41 ASP CB C 13 41.116 0.01 A 41 ASP N N 15 120.755 0.01 A 42 ALA H H 1 8.665 0.01 A 42 ALA HA H 1 3.937 0.01 A 42 ALA HB% H 1 1.347 0.01 A 42 ALA CA C 13 53.716 0.01 A 42 ALA CB C 13 16.936 0.01 A 42 ALA N N 15 121.385 0.01 A 43 SER H H 1 8.579 0.01 A 43 SER HA H 1 4.041 0.01 A 43 SER HBx H 1 3.68 0.01 A 43 SER HBy H 1 3.942 0.01 A 43 SER CA C 13 60.78 0.01 A 43 SER CB C 13 62.528 0.01 A 43 SER N N 15 117.944 0.01 A 44 LEU H H 1 8.734 0.01 A 44 LEU HA H 1 4.408 0.01 A 44 LEU HBy H 1 1.745 0.01 A 44 LEU HBx H 1 1.015 0.01 A 44 LEU HDx% H 1 0.13 0.01 A 44 LEU HDy% H 1 0.351 0.01 A 44 LEU HG H 1 1.011 0.01 A 44 LEU CA C 13 52.56 0.01 A 44 LEU CB C 13 44.16 0.01 A 44 LEU CDx C 13 21.846 0.01 A 44 LEU CDy C 13 26.412 0.01 A 44 LEU CG C 13 27.902 0.01 A 44 LEU N N 15 125.72 0.01 A 45 SER H H 1 7.875 0.01 A 45 SER HA H 1 4.085 0.01 A 45 SER HBy H 1 3.981 0.01 A 45 SER HBx H 1 3.678 0.01 A 45 SER CA C 13 57.503 0.01 A 45 SER CB C 13 64.64 0.01 A 45 SER N N 15 116.732 0.01 A 46 GLU H H 1 8.83 0.01 A 46 GLU HA H 1 3.812 0.01 A 46 GLU HBy H 1 1.905 0.01 A 46 GLU HBx H 1 1.831 0.01 A 46 GLU HGy H 1 2.184 0.01 A 46 GLU HGx H 1 2.062 0.01 A 46 GLU CA C 13 59.833 0.01 A 46 GLU CB C 13 29.746 0.01 A 46 GLU CG C 13 36.56 0.01 A 46 GLU N N 15 123.756 0.01 A 47 GLY H H 1 8.5 0.01 A 47 GLY HAx H 1 3.526 0.01 A 47 GLY HAy H 1 3.675 0.01 A 47 GLY CA C 13 46.942 0.01 A 47 GLY N N 15 105.309 0.01 A 48 LEU H H 1 7.418 0.01 A 48 LEU HA H 1 3.708 0.01 A 48 LEU HBy H 1 1.51 0.01 A 48 LEU HBx H 1 1.078 0.01 A 48 LEU HDx% H 1 0.316 0.01 A 48 LEU HDy% H 1 0.585 0.01 A 48 LEU HG H 1 1.02 0.01 A 48 LEU CA C 13 58.741 0.01 A 48 LEU CB C 13 41.626 0.01 A 48 LEU CDx C 13 24.234 0.01 A 48 LEU CDy C 13 26.505 0.01 A 48 LEU CG C 13 27.945 0.01 A 48 LEU N N 15 124.642 0.01 A 49 GLU H H 1 8.134 0.01 A 49 GLU HA H 1 3.286 0.01 A 49 GLU HBy H 1 1.995 0.01 A 49 GLU HBx H 1 1.779 0.01 A 49 GLU HGy H 1 2.551 0.01 A 49 GLU HGx H 1 2.5 0.01 A 49 GLU CA C 13 62.018 0.01 A 49 GLU CB C 13 29.609 0.01 A 49 GLU CG C 13 38.13 0.01 A 49 GLU N N 15 118.015 0.01 A 50 GLN H H 1 7.976 0.01 A 50 GLN HA H 1 3.596 0.01 A 50 GLN HBy H 1 1.825 0.01 A 50 GLN HBx H 1 1.695 0.01 A 50 GLN HE2x H 1 6.563 0.01 A 50 GLN HE2y H 1 7.289 0.01 A 50 GLN HGy H 1 2.149 0.01 A 50 GLN HGx H 1 2.148 0.01 A 50 GLN CA C 13 58.523 0.01 A 50 GLN CB C 13 28.444 0.01 A 50 GLN CG C 13 33.8 0.01 A 50 GLN N N 15 113.9 0.01 A 50 GLN NE2 N 15 112.952 0.01 A 51 HIS H H 1 6.921 0.01 A 51 HIS HA H 1 3.869 0.01 A 51 HIS HBy H 1 2.141 0.01 A 51 HIS HBx H 1 1.828 0.01 A 51 HIS HD2 H 1 6.72 0.01 A 51 HIS HE1 H 1 7.962 0.01 A 51 HIS CA C 13 58.377 0.01 A 51 HIS CB C 13 29.39 0.01 A 51 HIS CD2 C 13 117.765 0.01 A 51 HIS CE1 C 13 136.801 0.01 A 51 HIS N N 15 113.828 0.01 A 52 LEU H H 1 7.247 0.01 A 52 LEU HA H 1 4.23 0.01 A 52 LEU HBy H 1 1.69 0.01 A 52 LEU HBx H 1 1.17 0.01 A 52 LEU HDx% H 1 0.459 0.01 A 52 LEU HDy% H 1 0.6 0.01 A 52 LEU HG H 1 1.437 0.01 A 52 LEU CA C 13 55.172 0.01 A 52 LEU CB C 13 44.029 0.01 A 52 LEU CDx C 13 23.66 0.01 A 52 LEU CDy C 13 27 0.01 A 52 LEU CG C 13 26.36 0.01 A 52 LEU N N 15 118.722 0.01 A 53 LEU H H 1 6.912 0.01 A 53 LEU HA H 1 3.336 0.01 A 53 LEU HBy H 1 1.331 0.01 A 53 LEU HBx H 1 1.184 0.01 A 53 LEU HDx% H 1 0.462 0.01 A 53 LEU HDy% H 1 0.626 0.01 A 53 LEU HG H 1 1.447 0.01 A 53 LEU CA C 13 56.775 0.01 A 53 LEU CB C 13 42.209 0.01 A 53 LEU CDx C 13 23.615 0.01 A 53 LEU CDy C 13 25.246 0.01 A 53 LEU CG C 13 26.357 0.01 A 53 LEU N N 15 118.011 0.01 A 54 GLY H H 1 8.874 0.01 A 54 GLY HAx H 1 3.44 0.01 A 54 GLY HAy H 1 4.105 0.01 A 54 GLY CA C 13 45.267 0.01 A 54 GLY N N 15 110.875 0.01 A 55 LEU H H 1 7.441 0.01 A 55 LEU HA H 1 4.26 0.01 A 55 LEU HBy H 1 1.646 0.01 A 55 LEU HBx H 1 1.479 0.01 A 55 LEU HDx% H 1 0.684 0.01 A 55 LEU HDy% H 1 0.761 0.01 A 55 LEU HG H 1 1.178 0.01 A 55 LEU CA C 13 55.755 0.01 A 55 LEU CB C 13 42.791 0.01 A 55 LEU CDx C 13 22.03 0.01 A 55 LEU CDy C 13 22.32 0.01 A 55 LEU CG C 13 22.95 0.01 A 55 LEU N N 15 120.722 0.01 A 56 LYS H H 1 8.969 0.01 A 56 LYS HA H 1 4.615 0.01 A 56 LYS HBy H 1 1.717 0.01 A 56 LYS HBx H 1 1.519 0.01 A 56 LYS HDy H 1 1.552 0.01 A 56 LYS HDx H 1 1.551 0.01 A 56 LYS HEx H 1 2.882 0.01 A 56 LYS HEy H 1 2.882 0.01 A 56 LYS HGy H 1 1.384 0.01 A 56 LYS HGx H 1 1.286 0.01 A 56 LYS HZ1 H 1 6.741 0.01 A 56 LYS HZ2 H 1 6.741 0.01 A 56 LYS HZ3 H 1 6.741 0.01 A 56 LYS CA C 13 54.371 0.01 A 56 LYS CB C 13 35.362 0.01 A 56 LYS CE C 13 41.805 0.01 A 56 LYS CG C 13 24.715 0.01 A 56 LYS N N 15 119.325 0.01 A 57 VAL H H 1 8.337 0.01 A 57 VAL HA H 1 3.059 0.01 A 57 VAL HB H 1 1.763 0.01 A 57 VAL HGx% H 1 0.78 0.01 A 57 VAL HGy% H 1 0.847 0.01 A 57 VAL CA C 13 66.607 0.01 A 57 VAL CB C 13 31.284 0.01 A 57 VAL CGx C 13 21.328 0.01 A 57 VAL CGy C 13 23.386 0.01 A 57 VAL N N 15 119.835 0.01 A 58 GLY H H 1 8.513 0.01 A 58 GLY HAx H 1 3.814 0.01 A 58 GLY HAy H 1 4.321 0.01 A 58 GLY CA C 13 44.83 0.01 A 58 GLY N N 15 117.426 0.01 A 59 ASP H H 1 8.171 0.01 A 59 ASP HA H 1 4.539 0.01 A 59 ASP HBy H 1 3.005 0.01 A 59 ASP HBx H 1 2.482 0.01 A 59 ASP CA C 13 55.755 0.01 A 59 ASP CB C 13 42.209 0.01 A 59 ASP N N 15 122.373 0.01 A 60 LYS H H 1 8.094 0.01 A 60 LYS HA H 1 5.479 0.01 A 60 LYS HBy H 1 1.809 0.01 A 60 LYS HBx H 1 1.552 0.01 A 60 LYS HDy H 1 1.542 0.01 A 60 LYS HDx H 1 1.541 0.01 A 60 LYS HEx H 1 2.771 0.01 A 60 LYS HEy H 1 2.771 0.01 A 60 LYS HGy H 1 1.417 0.01 A 60 LYS HGx H 1 1.163 0.01 A 60 LYS CA C 13 54.444 0.01 A 60 LYS CB C 13 35.872 0.01 A 60 LYS CD C 13 29.844 0.01 A 60 LYS CE C 13 42.069 0.01 A 60 LYS CG C 13 25.396 0.01 A 60 LYS N N 15 118.821 0.01 A 61 THR H H 1 8.841 0.01 A 61 THR HA H 1 4.862 0.01 A 61 THR HB H 1 4.021 0.01 A 61 THR HG2% H 1 1.148 0.01 A 61 THR CA C 13 59.979 0.01 A 61 THR CB C 13 69.666 0.01 A 61 THR CG2 C 13 20.609 0.01 A 61 THR N N 15 117.298 0.01 A 62 THR H H 1 7.84 0.01 A 62 THR HA H 1 5.475 0.01 A 62 THR HB H 1 3.994 0.01 A 62 THR HG2% H 1 1.131 0.01 A 62 THR CA C 13 59.906 0.01 A 62 THR CB C 13 71.905 0.01 A 62 THR CG2 C 13 21.52 0.01 A 62 THR N N 15 120.775 0.01 A 63 PHE H H 1 8.031 0.01 A 63 PHE HA H 1 4.808 0.01 A 63 PHE HBy H 1 3.178 0.01 A 63 PHE HBx H 1 2.515 0.01 A 63 PHE HDx H 1 6.435 0.01 A 63 PHE HDy H 1 6.435 0.01 A 63 PHE HEx H 1 6.411 0.01 A 63 PHE HEy H 1 6.411 0.01 A 63 PHE HZ H 1 6.255 0.01 A 63 PHE CA C 13 56.775 0.01 A 63 PHE CB C 13 39.514 0.01 A 63 PHE CDy C 13 132.272 0.01 A 63 PHE CEy C 13 129.651 0.01 A 63 PHE CZ C 13 128.35 0.01 A 63 PHE N N 15 119.424 0.01 A 64 SER H H 1 8.694 0.01 A 64 SER HA H 1 5.402 0.01 A 64 SER HBy H 1 3.423 0.01 A 64 SER HBx H 1 3.293 0.01 A 64 SER CA C 13 56.92 0.01 A 64 SER CB C 13 65.223 0.01 A 64 SER N N 15 116.163 0.01 A 65 LEU H H 1 8.756 0.01 A 65 LEU HA H 1 4.724 0.01 A 65 LEU HBy H 1 1.519 0.01 A 65 LEU HBx H 1 1.267 0.01 A 65 LEU HDx% H 1 0.578 0.01 A 65 LEU HDy% H 1 0.717 0.01 A 65 LEU HG H 1 1.109 0.01 A 65 LEU CA C 13 63.352 0.01 A 65 LEU CB C 13 46.287 0.01 A 65 LEU CDy C 13 26.45 0.01 A 65 LEU CDx C 13 23.475 0.01 A 65 LEU CG C 13 19.005 0.01 A 65 LEU N N 15 121.877 0.01 A 66 GLU H H 1 8.392 0.01 A 66 GLU HA H 1 4.416 0.01 A 66 GLU HBy H 1 2.13 0.01 A 66 GLU HBx H 1 1.789 0.01 A 66 GLU HGy H 1 2.292 0.01 A 66 GLU HGx H 1 2.219 0.01 A 66 GLU CA C 13 55.027 0.01 A 66 GLU CB C 13 28.225 0.01 A 66 GLU CG C 13 36.288 0.01 A 66 GLU N N 15 121.187 0.01 A 67 PRO HA H 1 4.183 0.01 A 67 PRO HBy H 1 1.905 0.01 A 67 PRO HBx H 1 1.66 0.01 A 67 PRO HDy H 1 3.622 0.01 A 67 PRO HDx H 1 3.567 0.01 A 67 PRO HGy H 1 1.498 0.01 A 67 PRO HGx H 1 1.497 0.01 A 67 PRO CA C 13 66.388 0.01 A 67 PRO CB C 13 32.012 0.01 A 67 PRO CD C 13 49.719 0.01 A 67 PRO CG C 13 27.26 0.01 A 68 ASP H H 1 8.416 0.01 A 68 ASP HA H 1 4.067 0.01 A 68 ASP HBy H 1 2.468 0.01 A 68 ASP HBx H 1 2.442 0.01 A 68 ASP CA C 13 56.702 0.01 A 68 ASP CB C 13 40.242 0.01 A 68 ASP N N 15 114.053 0.01 A 69 ALA H H 1 7.498 0.01 A 69 ALA HA H 1 4.408 0.01 A 69 ALA HB% H 1 1.329 0.01 A 69 ALA CA C 13 51.531 0.01 A 69 ALA CB C 13 21.161 0.01 A 69 ALA N N 15 121.272 0.01 A 70 ALA H H 1 7.485 0.01 A 70 ALA HA H 1 4.08 0.01 A 70 ALA HB% H 1 1.104 0.01 A 70 ALA CA C 13 51.458 0.01 A 70 ALA CB C 13 18.83 0.01 A 70 ALA N N 15 125.277 0.01 A 71 PHE H H 1 8.306 0.01 A 71 PHE HA H 1 4.19 0.01 A 71 PHE HBy H 1 2.565 0.01 A 71 PHE HBx H 1 1.983 0.01 A 71 PHE HDx H 1 6.731 0.01 A 71 PHE HDy H 1 6.731 0.01 A 71 PHE HEx H 1 6.955 0.01 A 71 PHE HEy H 1 6.955 0.01 A 71 PHE HZ H 1 6.8 0.01 A 71 PHE CA C 13 58.814 0.01 A 71 PHE CB C 13 38.057 0.01 A 71 PHE CDx C 13 131.886 0.01 A 71 PHE CEx C 13 130.582 0.01 A 71 PHE N N 15 119.747 0.01 A 72 GLY H H 1 8.185 0.01 A 72 GLY HAx H 1 3.567 0.01 A 72 GLY HAy H 1 4.189 0.01 A 72 GLY CA C 13 44.539 0.01 A 72 GLY N N 15 109.338 0.01 A 73 VAL H H 1 8.24 0.01 A 73 VAL HA H 1 4.237 0.01 A 73 VAL HB H 1 2.008 0.01 A 73 VAL HGx% H 1 0.778 0.01 A 73 VAL HGy% H 1 0.868 0.01 A 73 VAL CA C 13 59.761 0.01 A 73 VAL CB C 13 32.376 0.01 A 73 VAL CGx C 13 20.005 0.01 A 73 VAL CGy C 13 21.4 0.01 A 73 VAL N N 15 117.266 0.01 A 74 PRO HA H 1 3.979 0.01 A 74 PRO HBy H 1 2.034 0.01 A 74 PRO HBx H 1 1.647 0.01 A 74 PRO HDy H 1 3.617 0.01 A 74 PRO HDx H 1 3.3 0.01 A 74 PRO HGy H 1 1.871 0.01 A 74 PRO HGx H 1 1.735 0.01 A 74 PRO CA C 13 63.256 0.01 A 74 PRO CB C 13 31.867 0.01 A 74 PRO CD C 13 50.85 0.01 A 74 PRO CG C 13 26.613 0.01 A 75 SER H H 1 9.282 0.01 A 75 SER HA H 1 5.083 0.01 A 75 SER HBy H 1 3.91 0.01 A 75 SER HBx H 1 3.683 0.01 A 75 SER CA C 13 53.716 0.01 A 75 SER CB C 13 65.369 0.01 A 75 SER N N 15 117.459 0.01 A 76 PRO HA H 1 4.266 0.01 A 76 PRO HBy H 1 2.249 0.01 A 76 PRO HBx H 1 1.943 0.01 A 76 PRO HDy H 1 3.926 0.01 A 76 PRO HDx H 1 3.793 0.01 A 76 PRO HGx H 1 1.633 0.01 A 76 PRO HGy H 1 1.633 0.01 A 76 PRO CA C 13 64.422 0.01 A 76 PRO CB C 13 32.085 0.01 A 76 PRO CD C 13 51.787 0.01 A 76 PRO CG C 13 33.063 0.01 A 77 ASP H H 1 7.778 0.01 A 77 ASP HA H 1 4.421 0.01 A 77 ASP HBy H 1 2.62 0.01 A 77 ASP HBx H 1 2.342 0.01 A 77 ASP CA C 13 55.682 0.01 A 77 ASP CB C 13 40.242 0.01 A 77 ASP N N 15 116.66 0.01 A 78 LEU H H 1 7.194 0.01 A 78 LEU HA H 1 4.415 0.01 A 78 LEU HBy H 1 1.66 0.01 A 78 LEU HBx H 1 1.621 0.01 A 78 LEU HDx% H 1 0.65 0.01 A 78 LEU HDy% H 1 0.799 0.01 A 78 LEU HG H 1 1.426 0.01 A 78 LEU CA C 13 54.444 0.01 A 78 LEU CB C 13 42.063 0.01 A 78 LEU CDx C 13 22.667 0.01 A 78 LEU CDy C 13 25.63 0.01 A 78 LEU CG C 13 27 0.01 A 78 LEU N N 15 118.72 0.01 A 79 ILE H H 1 7.077 0.01 A 79 ILE HA H 1 4.646 0.01 A 79 ILE HB H 1 1.752 0.01 A 79 ILE HD1% H 1 0.616 0.01 A 79 ILE HG1y H 1 1.285 0.01 A 79 ILE HG1x H 1 0.832 0.01 A 79 ILE HG2% H 1 0.38 0.01 A 79 ILE CA C 13 61.144 0.01 A 79 ILE CB C 13 37.183 0.01 A 79 ILE CD1 C 13 12.684 0.01 A 79 ILE CG1 C 13 27.856 0.01 A 79 ILE CG2 C 13 17.76 0.01 A 79 ILE N N 15 122.393 0.01 A 80 GLN H H 1 8.838 0.01 A 80 GLN HA H 1 4.302 0.01 A 80 GLN HBy H 1 1.766 0.01 A 80 GLN HBx H 1 1.507 0.01 A 80 GLN HE2x H 1 6.633 0.01 A 80 GLN HE2y H 1 7.061 0.01 A 80 GLN HGy H 1 2.129 0.01 A 80 GLN HGx H 1 2.043 0.01 A 80 GLN CA C 13 53.716 0.01 A 80 GLN CB C 13 33.979 0.01 A 80 GLN N N 15 126.448 0.01 A 80 GLN NE2 N 15 110.075 0.01 A 81 TYR H H 1 7.951 0.01 A 81 TYR HA H 1 5.226 0.01 A 81 TYR HBy H 1 2.703 0.01 A 81 TYR HBx H 1 2.514 0.01 A 81 TYR HDx H 1 6.892 0.01 A 81 TYR HDy H 1 6.892 0.01 A 81 TYR HEx H 1 6.619 0.01 A 81 TYR HEy H 1 6.619 0.01 A 81 TYR CA C 13 56.629 0.01 A 81 TYR CB C 13 39.878 0.01 A 81 TYR CDx C 13 133.313 0.01 A 81 TYR CEx C 13 118.218 0.01 A 81 TYR N N 15 119.494 0.01 A 82 PHE H H 1 9.161 0.01 A 82 PHE HA H 1 4.774 0.01 A 82 PHE HBy H 1 3.181 0.01 A 82 PHE HBx H 1 2.519 0.01 A 82 PHE HDx H 1 6.99 0.01 A 82 PHE HDy H 1 6.99 0.01 A 82 PHE HEx H 1 7.049 0.01 A 82 PHE HEy H 1 7.049 0.01 A 82 PHE HZ H 1 6.96 0.01 A 82 PHE CA C 13 56.483 0.01 A 82 PHE CB C 13 43.738 0.01 A 82 PHE CDy C 13 131.65 0.01 A 82 PHE CEy C 13 131.217 0.01 A 82 PHE CZ C 13 129.452 0.01 A 82 PHE N N 15 122.579 0.01 A 83 SER H H 1 9.009 0.01 A 83 SER HA H 1 5.034 0.01 A 83 SER HBy H 1 4.022 0.01 A 83 SER HBx H 1 3.815 0.01 A 83 SER CA C 13 57.357 0.01 A 83 SER CB C 13 64.495 0.01 A 83 SER N N 15 117.269 0.01 A 84 ARG H H 1 8.819 0.01 A 84 ARG HA H 1 4.603 0.01 A 84 ARG HBy H 1 1.848 0.01 A 84 ARG HBx H 1 1.674 0.01 A 84 ARG HDy H 1 2.634 0.01 A 84 ARG HDx H 1 2.529 0.01 A 84 ARG HE H 1 7.415 0.01 A 84 ARG HGy H 1 1.507 0.01 A 84 ARG HGx H 1 1.506 0.01 A 84 ARG CA C 13 59.761 0.01 A 84 ARG CB C 13 30.41 0.01 A 84 ARG CD C 13 42.492 0.01 A 84 ARG CG C 13 28.015 0.01 A 84 ARG N N 15 127.375 0.01 A 84 ARG NE N 15 84.114 0.01 A 85 ARG H H 1 8.539 0.01 A 85 ARG HA H 1 4.039 0.01 A 85 ARG HBy H 1 1.765 0.01 A 85 ARG HBx H 1 1.764 0.01 A 85 ARG HDy H 1 3.089 0.01 A 85 ARG HDx H 1 3.088 0.01 A 85 ARG HE H 1 7.195 0.01 A 85 ARG HGy H 1 1.568 0.01 A 85 ARG HGx H 1 1.567 0.01 A 85 ARG CA C 13 58.523 0.01 A 85 ARG CB C 13 29.973 0.01 A 85 ARG CD C 13 43.45 0.01 A 85 ARG CG C 13 27.23 0.01 A 85 ARG N N 15 118.944 0.01 A 85 ARG NE N 15 84.82 0.01 A 86 GLU H H 1 7.732 0.01 A 86 GLU HA H 1 4.091 0.01 A 86 GLU HBy H 1 1.988 0.01 A 86 GLU HBx H 1 1.987 0.01 A 86 GLU HGy H 1 2.16 0.01 A 86 GLU HGx H 1 2.159 0.01 A 86 GLU CA C 13 57.576 0.01 A 86 GLU CB C 13 29.9 0.01 A 86 GLU CG C 13 37.302 0.01 A 86 GLU N N 15 117.835 0.01 A 87 PHE H H 1 7.644 0.01 A 87 PHE HA H 1 4.456 0.01 A 87 PHE HBy H 1 3.209 0.01 A 87 PHE HBx H 1 2.828 0.01 A 87 PHE HDx H 1 7.17 0.01 A 87 PHE HDy H 1 7.17 0.01 A 87 PHE HEx H 1 7.054 0.01 A 87 PHE HEy H 1 7.054 0.01 A 87 PHE HZ H 1 6.862 0.01 A 87 PHE CA C 13 58.013 0.01 A 87 PHE CB C 13 39.587 0.01 A 87 PHE CDy C 13 132.088 0.01 A 87 PHE CEy C 13 131.765 0.01 A 87 PHE CZ C 13 129.077 0.01 A 87 PHE N N 15 118.936 0.01 A 88 MET H H 1 7.849 0.01 A 88 MET HA H 1 4.241 0.01 A 88 MET HBy H 1 1.959 0.01 A 88 MET HBx H 1 1.877 0.01 A 88 MET HE% H 1 1.93 0.01 A 88 MET HGy H 1 2.465 0.01 A 88 MET HGx H 1 2.412 0.01 A 88 MET CA C 13 56.993 0.01 A 88 MET CB C 13 32.595 0.01 A 88 MET CE C 13 17.1 0.01 A 88 MET CG C 13 32.087 0.01 A 88 MET N N 15 120.753 0.01 A 89 ASP H H 1 8.11 0.01 A 89 ASP HA H 1 4.395 0.01 A 89 ASP HBy H 1 2.564 0.01 A 89 ASP HBx H 1 2.421 0.01 A 89 ASP CA C 13 55.391 0.01 A 89 ASP CB C 13 41.116 0.01 A 89 ASP N N 15 120.234 0.01 A 90 ALA H H 1 7.867 0.01 A 90 ALA HA H 1 4.231 0.01 A 90 ALA HB% H 1 1.232 0.01 A 90 ALA CA C 13 52.528 0.01 A 90 ALA CB C 13 19.777 0.01 A 90 ALA N N 15 122.71 0.01 A 91 GLY H H 1 7.865 0.01 A 91 GLY HAx H 1 3.72 0.01 A 91 GLY HAy H 1 3.908 0.01 A 91 GLY CA C 13 44.539 0.01 A 91 GLY N N 15 107.832 0.01 A 92 GLU H H 1 8.188 0.01 A 92 GLU HA H 1 4.275 0.01 A 92 GLU HBy H 1 1.786 0.01 A 92 GLU HBx H 1 1.683 0.01 A 92 GLU HGy H 1 2.097 0.01 A 92 GLU HGx H 1 2.096 0.01 A 92 GLU CA C 13 54.226 0.01 A 92 GLU CB C 13 30.119 0.01 A 92 GLU CG C 13 35.811 0.01 A 92 GLU N N 15 121.294 0.01 A 93 PRO HA H 1 4.136 0.01 A 93 PRO HBy H 1 1.486 0.01 A 93 PRO HBx H 1 1.483 0.01 A 93 PRO HDy H 1 3.503 0.01 A 93 PRO HDx H 1 3.429 0.01 A 93 PRO HGx H 1 1.367 0.01 A 93 PRO HGy H 1 1.66 0.01 A 93 PRO CA C 13 62.747 0.01 A 93 PRO CB C 13 32.012 0.01 A 93 PRO CD C 13 50.152 0.01 A 93 PRO CG C 13 27.19 0.01 A 94 GLU H H 1 7.285 0.01 A 94 GLU HA H 1 4.273 0.01 A 94 GLU HBy H 1 1.775 0.01 A 94 GLU HBx H 1 1.625 0.01 A 94 GLU HGy H 1 2.096 0.01 A 94 GLU HGx H 1 2.024 0.01 A 94 GLU CA C 13 54.663 0.01 A 94 GLU CB C 13 32.595 0.01 A 94 GLU CG C 13 35.794 0.01 A 94 GLU N N 15 120.544 0.01 A 95 ILE H H 1 8.427 0.01 A 95 ILE HA H 1 3.317 0.01 A 95 ILE HB H 1 1.643 0.01 A 95 ILE HD1% H 1 0.675 0.01 A 95 ILE HG1y H 1 1.438 0.01 A 95 ILE HG1x H 1 0.985 0.01 A 95 ILE HG2% H 1 0.735 0.01 A 95 ILE CA C 13 62.892 0.01 A 95 ILE CB C 13 36.673 0.01 A 95 ILE CD1 C 13 12.105 0.01 A 95 ILE CG1 C 13 28.263 0.01 A 95 ILE CG2 C 13 17.49 0.01 A 95 ILE N N 15 123.515 0.01 A 96 GLY H H 1 9.143 0.01 A 96 GLY HAx H 1 3.304 0.01 A 96 GLY HAy H 1 4.19 0.01 A 96 GLY CA C 13 44.83 0.01 A 96 GLY N N 15 117.075 0.01 A 97 ALA H H 1 7.747 0.01 A 97 ALA HA H 1 4.183 0.01 A 97 ALA HB% H 1 1.34 0.01 A 97 ALA CA C 13 52.332 0.01 A 97 ALA CB C 13 20.287 0.01 A 97 ALA N N 15 124.048 0.01 A 98 ILE H H 1 8.031 0.01 A 98 ILE HA H 1 4.723 0.01 A 98 ILE HB H 1 1.505 0.01 A 98 ILE HD1% H 1 0.658 0.01 A 98 ILE HG1x H 1 0.866 0.01 A 98 ILE HG1y H 1 1.463 0.01 A 98 ILE HG2% H 1 0.612 0.01 A 98 ILE CA C 13 60.052 0.01 A 98 ILE CB C 13 39.004 0.01 A 98 ILE CD1 C 13 13.253 0.01 A 98 ILE CG1 C 13 28.252 0.01 A 98 ILE CG2 C 13 17.748 0.01 A 98 ILE N N 15 120.131 0.01 A 99 MET H H 1 8.875 0.01 A 99 MET HA H 1 4.489 0.01 A 99 MET HBy H 1 1.635 0.01 A 99 MET HBx H 1 1.472 0.01 A 99 MET HE% H 1 1.58 0.01 A 99 MET HGy H 1 2.054 0.01 A 99 MET HGx H 1 2.053 0.01 A 99 MET CA C 13 53.934 0.01 A 99 MET CB C 13 36.601 0.01 A 99 MET CE C 13 17.45 0.01 A 99 MET CG C 13 32.232 0.01 A 99 MET N N 15 127.388 0.01 A 100 LEU H H 1 8.165 0.01 A 100 LEU HA H 1 4.516 0.01 A 100 LEU HBy H 1 1.412 0.01 A 100 LEU HBx H 1 1.126 0.01 A 100 LEU HDx% H 1 0.567 0.01 A 100 LEU HDy% H 1 0.653 0.01 A 100 LEU HG H 1 1.355 0.01 A 100 LEU CA C 13 54.226 0.01 A 100 LEU CB C 13 42.573 0.01 A 100 LEU CDx C 13 23.488 0.01 A 100 LEU CDy C 13 24.7 0.01 A 100 LEU CG C 13 26.907 0.01 A 100 LEU N N 15 122.917 0.01 A 101 PHE H H 1 8.467 0.01 A 101 PHE HA H 1 4.527 0.01 A 101 PHE HBy H 1 2.871 0.01 A 101 PHE HBx H 1 2.842 0.01 A 101 PHE HDx H 1 6.906 0.01 A 101 PHE HDy H 1 6.906 0.01 A 101 PHE HEx H 1 6.565 0.01 A 101 PHE HEy H 1 6.565 0.01 A 101 PHE HZ H 1 6.565 0.01 A 101 PHE CA C 13 56.993 0.01 A 101 PHE CB C 13 42.573 0.01 A 101 PHE CDx C 13 132.1 0.01 A 101 PHE CEx C 13 130.827 0.01 A 101 PHE CZ C 13 129.003 0.01 A 101 PHE N N 15 124.569 0.01 A 102 THR H H 1 8.398 0.01 A 102 THR HA H 1 4.534 0.01 A 102 THR HB H 1 3.814 0.01 A 102 THR HG2% H 1 1.066 0.01 A 102 THR CA C 13 62.528 0.01 A 102 THR CB C 13 69.52 0.01 A 102 THR CG2 C 13 21.702 0.01 A 102 THR N N 15 119.655 0.01 A 103 ALA H H 1 8.777 0.01 A 103 ALA HA H 1 4.282 0.01 A 103 ALA HB% H 1 1.229 0.01 A 103 ALA CA C 13 51.458 0.01 A 103 ALA CB C 13 20.432 0.01 A 103 ALA N N 15 130.657 0.01 A 104 MET H H 1 8.734 0.01 A 104 MET HA H 1 4.038 0.01 A 104 MET HBy H 1 1.945 0.01 A 104 MET HBx H 1 1.944 0.01 A 104 MET HE% H 1 1.96 0.01 A 104 MET HGy H 1 2.539 0.01 A 104 MET HGx H 1 2.462 0.01 A 104 MET CA C 13 58.523 0.01 A 104 MET CB C 13 32.085 0.01 A 104 MET CE C 13 17.31 0.01 A 104 MET CG C 13 32.227 0.01 A 104 MET N N 15 120.712 0.01 A 105 ASP H H 1 7.772 0.01 A 105 ASP HA H 1 4.371 0.01 A 105 ASP HBy H 1 2.921 0.01 A 105 ASP HBx H 1 2.445 0.01 A 105 ASP CA C 13 53.497 0.01 A 105 ASP CB C 13 40.024 0.01 A 105 ASP N N 15 116.253 0.01 A 106 GLY H H 1 8.071 0.01 A 106 GLY HAx H 1 3.389 0.01 A 106 GLY HAy H 1 4.172 0.01 A 106 GLY CA C 13 45.049 0.01 A 106 GLY N N 15 109.239 0.01 A 107 SER H H 1 8.037 0.01 A 107 SER HA H 1 4.212 0.01 A 107 SER HBy H 1 3.758 0.01 A 107 SER HBx H 1 3.685 0.01 A 107 SER CA C 13 58.959 0.01 A 107 SER CB C 13 64.13 0.01 A 107 SER N N 15 118.52 0.01 A 108 GLU H H 1 8.404 0.01 A 108 GLU HA H 1 4.823 0.01 A 108 GLU HBy H 1 1.789 0.01 A 108 GLU HBx H 1 1.724 0.01 A 108 GLU HGy H 1 2.057 0.01 A 108 GLU HGx H 1 1.917 0.01 A 108 GLU CA C 13 55.755 0.01 A 108 GLU CB C 13 31.721 0.01 A 108 GLU CG C 13 37.157 0.01 A 108 GLU N N 15 121.889 0.01 A 109 MET H H 1 8.997 0.01 A 109 MET HA H 1 4.951 0.01 A 109 MET HBy H 1 1.95 0.01 A 109 MET HBx H 1 1.739 0.01 A 109 MET HE% H 1 1.59 0.01 A 109 MET HGx H 1 2.268 0.01 A 109 MET HGy H 1 2.268 0.01 A 109 MET CA C 13 52.987 0.01 A 109 MET CB C 13 36.236 0.01 A 109 MET CE C 13 16.65 0.01 A 109 MET CG C 13 31.408 0.01 A 109 MET N N 15 124.698 0.01 A 110 PRO HA H 1 5.057 0.01 A 110 PRO HBy H 1 1.932 0.01 A 110 PRO HBx H 1 1.736 0.01 A 110 PRO HDy H 1 3.766 0.01 A 110 PRO HDx H 1 3.634 0.01 A 110 PRO HGy H 1 2.085 0.01 A 110 PRO HGx H 1 1.865 0.01 A 110 PRO CA C 13 62.091 0.01 A 110 PRO CB C 13 31.939 0.01 A 110 PRO CD C 13 50.97 0.01 A 110 PRO CG C 13 27.403 0.01 A 111 GLY H H 1 9.167 0.01 A 111 GLY HAx H 1 2.561 0.01 A 111 GLY HAy H 1 4.328 0.01 A 111 GLY CA C 13 44.685 0.01 A 111 GLY N N 15 112.135 0.01 A 112 VAL H H 1 7.839 0.01 A 112 VAL HA H 1 4.678 0.01 A 112 VAL HB H 1 1.648 0.01 A 112 VAL HGx% H 1 0.711 0.01 A 112 VAL HGy% H 1 0.625 0.01 A 112 VAL CA C 13 59.833 0.01 A 112 VAL CB C 13 34.66 0.01 A 112 VAL CGy C 13 21.883 0.01 A 112 VAL CGx C 13 20.88 0.01 A 112 VAL N N 15 120.753 0.01 A 113 ILE H H 1 8.57 0.01 A 113 ILE HA H 1 3.914 0.01 A 113 ILE HB H 1 2.155 0.01 A 113 ILE HD1% H 1 0.725 0.01 A 113 ILE HG1y H 1 1.428 0.01 A 113 ILE HG1x H 1 0.987 0.01 A 113 ILE HG2% H 1 0.482 0.01 A 113 ILE CA C 13 61.85 0.01 A 113 ILE CB C 13 36.164 0.01 A 113 ILE CD1 C 13 13.113 0.01 A 113 ILE CG1 C 13 28.163 0.01 A 113 ILE CG2 C 13 18.175 0.01 A 113 ILE N N 15 127.489 0.01 A 114 ARG H H 1 8.803 0.01 A 114 ARG HA H 1 4.232 0.01 A 114 ARG HBy H 1 1.735 0.01 A 114 ARG HBx H 1 1.566 0.01 A 114 ARG HDy H 1 3.051 0.01 A 114 ARG HDx H 1 2.96 0.01 A 114 ARG HE H 1 7.525 0.01 A 114 ARG HGy H 1 1.416 0.01 A 114 ARG HGx H 1 1.415 0.01 A 114 ARG CA C 13 55.973 0.01 A 114 ARG CB C 13 32.886 0.01 A 114 ARG CD C 13 43.321 0.01 A 114 ARG CG C 13 32.75 0.01 A 114 ARG N N 15 129.39 0.01 A 114 ARG NE N 15 84.325 0.01 A 115 GLU H H 1 7.303 0.01 A 115 GLU HA H 1 4.383 0.01 A 115 GLU HBy H 1 1.831 0.01 A 115 GLU HBx H 1 1.829 0.01 A 115 GLU HGy H 1 2.097 0.01 A 115 GLU HGx H 1 2.009 0.01 A 115 GLU CA C 13 55.755 0.01 A 115 GLU CB C 13 34.27 0.01 A 115 GLU CG C 13 36.74 0.01 A 115 GLU N N 15 115.554 0.01 A 116 ILE H H 1 8.546 0.01 A 116 ILE HA H 1 4.249 0.01 A 116 ILE HB H 1 1.504 0.01 A 116 ILE HD1% H 1 0.585 0.01 A 116 ILE HG1y H 1 1.192 0.01 A 116 ILE HG1x H 1 1.191 0.01 A 116 ILE HG2% H 1 0.666 0.01 A 116 ILE CA C 13 61.8 0.01 A 116 ILE CB C 13 40.898 0.01 A 116 ILE CD1 C 13 14.461 0.01 A 116 ILE CG1 C 13 27.857 0.01 A 116 ILE CG2 C 13 17.344 0.01 A 116 ILE N N 15 123.985 0.01 A 117 ASN H H 1 8.636 0.01 A 117 ASN HA H 1 4.888 0.01 A 117 ASN HBy H 1 2.604 0.01 A 117 ASN HBx H 1 2.537 0.01 A 117 ASN HD2x H 1 6.906 0.01 A 117 ASN HD2y H 1 7.651 0.01 A 117 ASN CA C 13 51.822 0.01 A 117 ASN CB C 13 40.096 0.01 A 117 ASN N N 15 126.815 0.01 A 117 ASN ND2 N 15 115.145 0.01 A 118 GLY H H 1 8.89 0.01 A 118 GLY HAx H 1 3.491 0.01 A 118 GLY HAy H 1 3.815 0.01 A 118 GLY CA C 13 47.525 0.01 A 118 GLY N N 15 115.018 0.01 A 119 ASP H H 1 8.721 0.01 A 119 ASP HA H 1 4.598 0.01 A 119 ASP HBy H 1 2.624 0.01 A 119 ASP HBx H 1 2.527 0.01 A 119 ASP CA C 13 52.696 0.01 A 119 ASP CB C 13 44.029 0.01 A 119 ASP N N 15 125.794 0.01 A 120 SER H H 1 7.823 0.01 A 120 SER HA H 1 4.914 0.01 A 120 SER HBy H 1 3.763 0.01 A 120 SER HBx H 1 3.623 0.01 A 120 SER CA C 13 57.721 0.01 A 120 SER CB C 13 64.859 0.01 A 120 SER N N 15 114.265 0.01 A 121 ILE H H 1 9.352 0.01 A 121 ILE HA H 1 4.613 0.01 A 121 ILE HB H 1 1.72 0.01 A 121 ILE HD1% H 1 0.457 0.01 A 121 ILE HG1y H 1 1.285 0.01 A 121 ILE HG1x H 1 0.959 0.01 A 121 ILE HG2% H 1 0.657 0.01 A 121 ILE CA C 13 59.979 0.01 A 121 ILE CB C 13 40.388 0.01 A 121 ILE CD1 C 13 13.413 0.01 A 121 ILE CG1 C 13 27.71 0.01 A 121 ILE CG2 C 13 18.999 0.01 A 121 ILE N N 15 127.857 0.01 A 122 THR H H 1 8.68 0.01 A 122 THR HA H 1 4.529 0.01 A 122 THR HB H 1 3.815 0.01 A 122 THR HG2% H 1 0.758 0.01 A 122 THR CA C 13 62.31 0.01 A 122 THR CB C 13 69.156 0.01 A 122 THR CG2 C 13 22.118 0.01 A 122 THR N N 15 124.222 0.01 A 123 VAL H H 1 9.157 0.01 A 123 VAL HA H 1 4.234 0.01 A 123 VAL HB H 1 1.272 0.01 A 123 VAL HGx% H 1 -0.492 0.01 A 123 VAL HGy% H 1 0.335 0.01 A 123 VAL CA C 13 61.072 0.01 A 123 VAL CB C 13 34.124 0.01 A 123 VAL CGx C 13 21.654 0.01 A 123 VAL CGy C 13 22.545 0.01 A 123 VAL N N 15 130.67 0.01 A 124 ASP H H 1 8.646 0.01 A 124 ASP HA H 1 4.948 0.01 A 124 ASP HBy H 1 2.816 0.01 A 124 ASP HBx H 1 2.02 0.01 A 124 ASP CA C 13 52.113 0.01 A 124 ASP CB C 13 44.029 0.01 A 124 ASP N N 15 125.276 0.01 A 125 PHE H H 1 9.339 0.01 A 125 PHE HA H 1 4.691 0.01 A 125 PHE HBy H 1 3.416 0.01 A 125 PHE HBx H 1 2.946 0.01 A 125 PHE HDx H 1 7.066 0.01 A 125 PHE HDy H 1 7.066 0.01 A 125 PHE HEx H 1 6.985 0.01 A 125 PHE HEy H 1 6.985 0.01 A 125 PHE HZ H 1 6.322 0.01 A 125 PHE CA C 13 58.595 0.01 A 125 PHE CB C 13 39.368 0.01 A 125 PHE CDy C 13 132.274 0.01 A 125 PHE CEy C 13 130.893 0.01 A 125 PHE CZ C 13 128.869 0.01 A 125 PHE N N 15 125.846 0.01 A 126 ASN H H 1 8.846 0.01 A 126 ASN HA H 1 4.245 0.01 A 126 ASN HBy H 1 3.13 0.01 A 126 ASN HBx H 1 2.169 0.01 A 126 ASN HD2x H 1 7.067 0.01 A 126 ASN HD2y H 1 8.993 0.01 A 126 ASN CA C 13 55.172 0.01 A 126 ASN CB C 13 39.587 0.01 A 126 ASN N N 15 120.703 0.01 A 126 ASN ND2 N 15 119.401 0.01 A 127 HIS H H 1 9.02 0.01 A 127 HIS HA H 1 4.308 0.01 A 127 HIS HBy H 1 3.223 0.01 A 127 HIS HBx H 1 2.71 0.01 A 127 HIS HD2 H 1 7.082 0.01 A 127 HIS HE1 H 1 6.512 0.01 A 127 HIS CA C 13 57.357 0.01 A 127 HIS CB C 13 31.43 0.01 A 127 HIS CD2 C 13 118.21 0.01 A 127 HIS CE1 C 13 137.554 0.01 A 127 HIS N N 15 124.877 0.01 A 128 PRO HA H 1 4.088 0.01 A 128 PRO HBy H 1 2.102 0.01 A 128 PRO HBx H 1 1.557 0.01 A 128 PRO HDy H 1 3.293 0.01 A 128 PRO HDx H 1 2.01 0.01 A 128 PRO HGy H 1 1.594 0.01 A 128 PRO HGx H 1 1.51 0.01 A 128 PRO CA C 13 64.798 0.01 A 128 PRO CB C 13 32.186 0.01 A 128 PRO CD C 13 50.71 0.01 A 128 PRO CG C 13 27.811 0.01 A 129 LEU H H 1 11.208 0.01 A 129 LEU HA H 1 4.321 0.01 A 129 LEU HBy H 1 1.265 0.01 A 129 LEU HBx H 1 1.215 0.01 A 129 LEU HDx% H 1 0.535 0.01 A 129 LEU HDy% H 1 0.324 0.01 A 129 LEU HG H 1 1.284 0.01 A 129 LEU CA C 13 53.497 0.01 A 129 LEU CB C 13 41.189 0.01 A 129 LEU CDx C 13 23.199 0.01 A 129 LEU CDy C 13 25.943 0.01 A 129 LEU N N 15 120.037 0.01 A 130 ALA H H 1 8.233 0.01 A 130 ALA HA H 1 4.008 0.01 A 130 ALA HB% H 1 1.162 0.01 A 130 ALA CA C 13 53.789 0.01 A 130 ALA CB C 13 18.102 0.01 A 130 ALA N N 15 125.872 0.01 A 131 GLY H H 1 9.332 0.01 A 131 GLY HAx H 1 3.652 0.01 A 131 GLY HAy H 1 4.13 0.01 A 131 GLY CA C 13 45.559 0.01 A 131 GLY N N 15 109.16 0.01 A 132 GLN H H 1 7.434 0.01 A 132 GLN HA H 1 4.515 0.01 A 132 GLN HBy H 1 1.928 0.01 A 132 GLN HBx H 1 1.761 0.01 A 132 GLN HE2x H 1 6.727 0.01 A 132 GLN HE2y H 1 7.44 0.01 A 132 GLN HGy H 1 2.045 0.01 A 132 GLN HGx H 1 2.044 0.01 A 132 GLN CA C 13 54.735 0.01 A 132 GLN CB C 13 29.318 0.01 A 132 GLN CG C 13 32.921 0.01 A 132 GLN N N 15 117.754 0.01 A 132 GLN NE2 N 15 113.091 0.01 A 133 THR H H 1 8.585 0.01 A 133 THR HA H 1 4.439 0.01 A 133 THR HB H 1 4.014 0.01 A 133 THR HG2% H 1 0.809 0.01 A 133 THR CA C 13 64.13 0.01 A 133 THR CB C 13 68.937 0.01 A 133 THR CG2 C 13 20.815 0.01 A 133 THR N N 15 123.051 0.01 A 134 VAL H H 1 8.213 0.01 A 134 VAL HA H 1 4.595 0.01 A 134 VAL HB H 1 1.671 0.01 A 134 VAL HGx% H 1 0.557 0.01 A 134 VAL HGy% H 1 0.737 0.01 A 134 VAL CA C 13 59.833 0.01 A 134 VAL CB C 13 34.634 0.01 A 134 VAL CGy C 13 22.523 0.01 A 134 VAL CGx C 13 20.895 0.01 A 134 VAL N N 15 120.732 0.01 A 135 HIS H H 1 8.587 0.01 A 135 HIS HA H 1 4.721 0.01 A 135 HIS HBy H 1 2.868 0.01 A 135 HIS HBx H 1 2.63 0.01 A 135 HIS HD2 H 1 6.473 0.01 A 135 HIS HE1 H 1 7.623 0.01 A 135 HIS CA C 13 55.245 0.01 A 135 HIS CB C 13 31.284 0.01 A 135 HIS CD2 C 13 118.45 0.01 A 135 HIS CE1 C 13 138.34 0.01 A 135 HIS N N 15 123.4 0.01 A 136 PHE H H 1 9.12 0.01 A 136 PHE HA H 1 4.799 0.01 A 136 PHE HBy H 1 1.94 0.01 A 136 PHE HBx H 1 1.279 0.01 A 136 PHE HDx H 1 6.641 0.01 A 136 PHE HDy H 1 6.641 0.01 A 136 PHE HEx H 1 6.771 0.01 A 136 PHE HEy H 1 6.771 0.01 A 136 PHE HZ H 1 6.566 0.01 A 136 PHE CA C 13 58.013 0.01 A 136 PHE CB C 13 43.301 0.01 A 136 PHE CDx C 13 131.538 0.01 A 136 PHE CEx C 13 131.339 0.01 A 136 PHE N N 15 124.965 0.01 A 137 ASP H H 1 8.087 0.01 A 137 ASP HA H 1 5.204 0.01 A 137 ASP HBy H 1 2.785 0.01 A 137 ASP HBx H 1 2.435 0.01 A 137 ASP CA C 13 54.226 0.01 A 137 ASP CB C 13 43.519 0.01 A 137 ASP N N 15 121.841 0.01 A 138 ILE H H 1 9.072 0.01 A 138 ILE HA H 1 5.052 0.01 A 138 ILE HB H 1 1.646 0.01 A 138 ILE HD1% H 1 0.741 0.01 A 138 ILE HG1y H 1 1.624 0.01 A 138 ILE HG1x H 1 1.142 0.01 A 138 ILE HG2% H 1 0.715 0.01 A 138 ILE CA C 13 60.27 0.01 A 138 ILE CB C 13 42.573 0.01 A 138 ILE CD1 C 13 14.561 0.01 A 138 ILE CG1 C 13 28.542 0.01 A 138 ILE CG2 C 13 17.249 0.01 A 138 ILE N N 15 124.469 0.01 A 139 GLU H H 1 8.927 0.01 A 139 GLU HA H 1 5.12 0.01 A 139 GLU HBy H 1 1.645 0.01 A 139 GLU HBx H 1 1.146 0.01 A 139 GLU HGy H 1 1.932 0.01 A 139 GLU HGx H 1 1.778 0.01 A 139 GLU CA C 13 54.298 0.01 A 139 GLU CB C 13 33.615 0.01 A 139 GLU CG C 13 35.4 0.01 A 139 GLU N N 15 127.858 0.01 A 140 VAL H H 1 8.448 0.01 A 140 VAL HA H 1 3.719 0.01 A 140 VAL HB H 1 2.251 0.01 A 140 VAL HGx% H 1 0.439 0.01 A 140 VAL HGy% H 1 0.685 0.01 A 140 VAL CA C 13 64.276 0.01 A 140 VAL CB C 13 31.648 0.01 A 140 VAL CGx C 13 21.85 0.01 A 140 VAL CGy C 13 22.112 0.01 A 140 VAL N N 15 126.105 0.01 A 141 LEU H H 1 9.202 0.01 A 141 LEU HA H 1 4.416 0.01 A 141 LEU HBy H 1 1.494 0.01 A 141 LEU HBx H 1 1.401 0.01 A 141 LEU HDx% H 1 0.395 0.01 A 141 LEU HDy% H 1 0.63 0.01 A 141 LEU HG H 1 1.275 0.01 A 141 LEU CA C 13 56.41 0.01 A 141 LEU CB C 13 43.01 0.01 A 141 LEU CDy C 13 25.931 0.01 A 141 LEU CDx C 13 22.23 0.01 A 141 LEU N N 15 130.567 0.01 A 142 GLU H H 1 7.478 0.01 A 142 GLU HA H 1 4.24 0.01 A 142 GLU HBy H 1 1.789 0.01 A 142 GLU HBx H 1 1.623 0.01 A 142 GLU HGy H 1 2.092 0.01 A 142 GLU HGx H 1 1.974 0.01 A 142 GLU CA C 13 56.556 0.01 A 142 GLU CB C 13 34.343 0.01 A 142 GLU CG C 13 36.73 0.01 A 142 GLU N N 15 115.578 0.01 A 143 ILE H H 1 8.75 0.01 A 143 ILE HA H 1 4.26 0.01 A 143 ILE HB H 1 1.419 0.01 A 143 ILE HD1% H 1 0.561 0.01 A 143 ILE HG1y H 1 1.202 0.01 A 143 ILE HG1x H 1 0.049 0.01 A 143 ILE HG2% H 1 0.711 0.01 A 143 ILE CA C 13 61.217 0.01 A 143 ILE CB C 13 39.732 0.01 A 143 ILE CD1 C 13 14.621 0.01 A 143 ILE CG1 C 13 28.375 0.01 A 143 ILE CG2 C 13 18.34 0.01 A 143 ILE N N 15 125.566 0.01 A 144 ASP H H 1 9.65 0.01 A 144 ASP HA H 1 4.426 0.01 A 144 ASP HBy H 1 2.715 0.01 A 144 ASP HBx H 1 2.611 0.01 A 144 ASP CA C 13 55.755 0.01 A 144 ASP CB C 13 40.096 0.01 A 144 ASP N N 15 125.051 0.01 A 145 PRO HA H 1 4.225 0.01 A 145 PRO HBy H 1 1.92 0.01 A 145 PRO HBx H 1 1.721 0.01 A 145 PRO HDy H 1 3.394 0.01 A 145 PRO HDx H 1 3.067 0.01 A 145 PRO HGy H 1 1.484 0.01 A 145 PRO HGx H 1 1.483 0.01 A 145 PRO CA C 13 62.819 0.01 A 145 PRO CB C 13 32.741 0.01 A 145 PRO CD C 13 50.792 0.01 A 145 PRO CG C 13 27.706 0.01 A 146 ALA H H 1 8.504 0.01 A 146 ALA HA H 1 4.139 0.01 A 146 ALA HB% H 1 1.204 0.01 A 146 ALA CA C 13 52.478 0.01 A 146 ALA CB C 13 18.634 0.01 A 146 ALA N N 15 124.536 0.01 A 147 LEU H H 1 8.047 0.01 A 147 LEU HA H 1 4.108 0.01 A 147 LEU HBy H 1 1.418 0.01 A 147 LEU HBx H 1 1.32 0.01 A 147 LEU HDx% H 1 0.64 0.01 A 147 LEU HDy% H 1 0.709 0.01 A 147 LEU HG H 1 1.303 0.01 A 147 LEU CA C 13 55.258 0.01 A 147 LEU CB C 13 42.669 0.01 A 147 LEU CDx C 13 23.487 0.01 A 147 LEU CDy C 13 25.259 0.01 A 147 LEU CG C 13 26.717 0.01 A 147 LEU N N 15 122.468 0.01 A 148 GLU H H 1 8.239 0.01 A 148 GLU HA H 1 4.019 0.01 A 148 GLU HBy H 1 1.744 0.01 A 148 GLU HBx H 1 1.687 0.01 A 148 GLU HGy H 1 2.021 0.01 A 148 GLU HGx H 1 1.94 0.01 A 148 GLU CA C 13 56.73 0.01 A 148 GLU CB C 13 30.08 0.01 A 148 GLU CG C 13 36.318 0.01 A 148 GLU N N 15 121.173 0.01 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 save_ save_CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_3 save_