data_nef_c17667_2ll4 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_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 10 CYS SG 1 79 CYS SG 1 35 CYS SG 1 57 CYS SG 1 39 CYS SG 1 45 CYS SG . . . . . . . . stop_ 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 M 1 SER start . . 2 M 2 PRO middle . false 3 M 3 ASP middle . . 4 M 4 PHE middle . . 5 M 5 HIS middle . . 6 M 6 ASP middle . . 7 M 7 GLU middle . . 8 M 8 VAL middle . . 9 M 9 GLU middle . . 10 M 10 CYS middle -HG . 11 M 11 VAL middle . . 12 M 12 HIS middle . . 13 M 13 THR middle . . 14 M 14 GLY middle . false 15 M 15 ASN middle . . 16 M 16 ILE middle . . 17 M 17 GLY middle . false 18 M 18 SER middle . . 19 M 19 LYS middle . . 20 M 20 ALA middle . . 21 M 21 GLN middle . . 22 M 22 THR middle . . 23 M 23 ILE middle . . 24 M 24 GLY middle . false 25 M 25 GLU middle . . 26 M 26 VAL middle . . 27 M 27 LYS middle . . 28 M 28 ARG middle . . 29 M 29 ALA middle . . 30 M 30 SER middle . . 31 M 31 SER middle . . 32 M 32 LEU middle . . 33 M 33 SER middle . . 34 M 34 GLU middle . . 35 M 35 CYS middle -HG . 36 M 36 ARG middle . . 37 M 37 ALA middle . . 38 M 38 ARG middle . . 39 M 39 CYS middle -HG . 40 M 40 GLN middle . . 41 M 41 ALA middle . . 42 M 42 GLU middle . . 43 M 43 LYS middle . . 44 M 44 GLU middle . . 45 M 45 CYS middle -HG . 46 M 46 SER middle . . 47 M 47 HIS middle . . 48 M 48 TYR middle . . 49 M 49 THR middle . . 50 M 50 TYR middle . . 51 M 51 ASN middle . . 52 M 52 VAL middle . . 53 M 53 LYS middle . . 54 M 54 SER middle . . 55 M 55 GLY middle . false 56 M 56 LEU middle . . 57 M 57 CYS middle -HG . 58 M 58 TYR middle . . 59 M 59 PRO middle . false 60 M 60 LYS middle . . 61 M 61 ARG middle . . 62 M 62 GLY middle . false 63 M 63 LYS middle . . 64 M 64 PRO middle . false 65 M 65 GLN middle . . 66 M 66 PHE middle . . 67 M 67 TYR middle . . 68 M 68 LYS middle . . 69 M 69 TYR middle . . 70 M 70 LEU middle . . 71 M 71 GLY middle . false 72 M 72 ASP middle . . 73 M 73 MET middle . . 74 M 74 THR middle . . 75 M 75 GLY middle . false 76 M 76 SER middle . . 77 M 77 ARG middle . . 78 M 78 THR middle . . 79 M 79 CYS middle -HG . 80 M 80 ASP middle . . 81 M 81 THR middle . . 82 M 82 SER end . . 83 A 1 NAG . . . 84 A 2 GAL . . . 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 M 5 HIS C C 13 174.436 . M 5 HIS CA C 13 56.372 . M 5 HIS CB C 13 30.120 . M 6 ASP H H 1 8.157 . M 6 ASP HA H 1 4.56 . M 6 ASP HBy H 1 2.7 . M 6 ASP HBx H 1 2.61 . M 6 ASP C C 13 176.052 . M 6 ASP CA C 13 54.589 . M 6 ASP CB C 13 41.565 . M 6 ASP N N 15 121.137 . M 7 GLU H H 1 8.310 . M 7 GLU CA C 13 56.684 . M 7 GLU CB C 13 30.642 . M 7 GLU N N 15 120.657 . M 8 VAL H H 1 8.187 . M 8 VAL HA H 1 4.09 . M 8 VAL HB H 1 2.07 . M 8 VAL HGx% H 1 0.92 . M 8 VAL HGy% H 1 0.92 . M 8 VAL C C 13 176.033 . M 8 VAL CA C 13 62.418 . M 8 VAL CB C 13 32.728 . M 8 VAL CGx C 13 21.0 . M 8 VAL CGy C 13 21.0 . M 8 VAL N N 15 120.844 . M 9 GLU H H 1 8.479 . M 9 GLU C C 13 175.884 . M 9 GLU CA C 13 57.057 . M 9 GLU CB C 13 29.971 . M 9 GLU CG C 13 35.9 . M 9 GLU N N 15 123.333 . M 11 VAL C C 13 174.795 . M 11 VAL CA C 13 61.534 . M 11 VAL CB C 13 34.000 . M 12 HIS H H 1 8.949 . M 12 HIS HA H 1 4.74 . M 12 HIS HB2 H 1 2.98 . M 12 HIS C C 13 175.003 . M 12 HIS CA C 13 55.416 . M 12 HIS CB C 13 30.195 . M 12 HIS N N 15 126.122 . M 13 THR H H 1 8.288 . M 13 THR HA H 1 4.43 . M 13 THR HB H 1 4.31 . M 13 THR HG2% H 1 1.21 . M 13 THR C C 13 172.467 . M 13 THR CA C 13 61.683 . M 13 THR CB C 13 69.891 . M 13 THR CG2 C 13 21.6 . M 13 THR N N 15 114.233 . M 14 GLY H H 1 8.706 . M 14 GLY HAy H 1 4.29 . M 14 GLY HAx H 1 3.67 . M 14 GLY C C 13 174.108 . M 14 GLY CA C 13 46.984 . M 14 GLY N N 15 111.187 . M 15 ASN H H 1 8.385 . M 15 ASN HA H 1 4.92 . M 15 ASN HBy H 1 3.25 . M 15 ASN HBx H 1 2.68 . M 15 ASN C C 13 174.332 . M 15 ASN CA C 13 55.042 . M 15 ASN CB C 13 36.94 . M 15 ASN N N 15 117.800 . M 16 ILE H H 1 7.206 . M 16 ILE HA H 1 4.70 . M 16 ILE HB H 1 1.61 . M 16 ILE HD1% H 1 0.53 . M 16 ILE HG1y H 1 1.19 . M 16 ILE HG1x H 1 1.09 . M 16 ILE HG2% H 1 0.63 . M 16 ILE C C 13 175.078 . M 16 ILE CA C 13 58.549 . M 16 ILE CB C 13 39.447 . M 16 ILE CD1 C 13 10.9 . M 16 ILE CG1 C 13 26.3 . M 16 ILE CG2 C 13 18.2 . M 16 ILE N N 15 119.365 . M 17 GLY H H 1 8.814 . M 17 GLY HAy H 1 4.25 . M 17 GLY HAx H 1 3.66 . M 17 GLY C C 13 172.750 . M 17 GLY CA C 13 44.223 . M 17 GLY N N 15 116.651 . M 18 SER H H 1 7.266 . M 18 SER HA H 1 5.56 . M 18 SER HBx H 1 3.66 . M 18 SER HBy H 1 3.66 . M 18 SER C C 13 175.585 . M 18 SER CA C 13 54.371 . M 18 SER CB C 13 65.340 . M 18 SER N N 15 107.852 . M 19 LYS H H 1 9.292 . M 19 LYS HA H 1 4.38 . M 19 LYS HBy H 1 1.85 . M 19 LYS HBx H 1 1.52 . M 19 LYS HDx H 1 1.27 . M 19 LYS HDy H 1 1.27 . M 19 LYS HEy H 1 2.38 . M 19 LYS HEx H 1 2.29 . M 19 LYS HGy H 1 1.07 . M 19 LYS HGx H 1 0.95 . M 19 LYS C C 13 175.675 . M 19 LYS CA C 13 55.789 . M 19 LYS CB C 13 32.284 . M 19 LYS CD C 13 28.9 . M 19 LYS CE C 13 41.2 . M 19 LYS CG C 13 25.5 . M 19 LYS N N 15 127.211 . M 20 ALA H H 1 7.720 . M 20 ALA HA H 1 4.2 . M 20 ALA HB% H 1 1.69 . M 20 ALA C C 13 175.675 . M 20 ALA CA C 13 52.804 . M 20 ALA CB C 13 20.345 . M 20 ALA N N 15 121.840 . M 21 GLN H H 1 8.422 . M 21 GLN HA H 1 4.03 . M 21 GLN HBx H 1 1.96 . M 21 GLN HBy H 1 1.96 . M 21 GLN HGx H 1 2.41 . M 21 GLN HGy H 1 2.48 . M 21 GLN C C 13 175.451 . M 21 GLN CA C 13 57.057 . M 21 GLN CB C 13 29.747 . M 21 GLN CG C 13 33.9 . M 21 GLN N N 15 120.576 . M 22 THR H H 1 8.419 . M 22 THR HA H 1 4.77 . M 22 THR HB H 1 4.1 . M 22 THR HG2% H 1 1.36 . M 22 THR C C 13 174.720 . M 22 THR CA C 13 62.280 . M 22 THR CB C 13 69.891 . M 22 THR CG2 C 13 23.5 . M 22 THR N N 15 122.967 . M 23 ILE H H 1 9.007 . M 23 ILE HA H 1 4.124 . M 23 ILE HB H 1 1.51 . M 23 ILE HD1% H 1 0.60 . M 23 ILE HG1x H 1 0.76 . M 23 ILE HG1y H 1 1.48 . M 23 ILE HG2% H 1 0.76 . M 23 ILE C C 13 174.630 . M 23 ILE CA C 13 60.361 . M 23 ILE CB C 13 40.567 . M 23 ILE CD1 C 13 14.9 . M 23 ILE CG1 C 13 27.0 . M 23 ILE CG2 C 13 17.4 . M 23 ILE N N 15 128.189 . M 24 GLY H H 1 8.168 . M 24 GLY HAy H 1 3.97 . M 24 GLY HAx H 1 3.75 . M 24 GLY C C 13 172.944 . M 24 GLY CA C 13 44.596 . M 24 GLY N N 15 111.782 . M 25 GLU H H 1 8.186 . M 25 GLU HA H 1 4.28 . M 25 GLU HBy H 1 1.88 . M 25 GLU HBx H 1 1.87 . M 25 GLU HGx H 1 2.14 . M 25 GLU HGy H 1 2.28 . M 25 GLU C C 13 176.719 . M 25 GLU CA C 13 55.639 . M 25 GLU CB C 13 31.016 . M 25 GLU CG C 13 36.4 . M 25 GLU N N 15 119.285 . M 26 VAL H H 1 8.584 . M 26 VAL HA H 1 4.012 . M 26 VAL HB H 1 1.89 . M 26 VAL HGx% H 1 0.42 . M 26 VAL HGy% H 1 0.94 . M 26 VAL C C 13 175.033 . M 26 VAL CA C 13 63.444 . M 26 VAL CB C 13 31.592 . M 26 VAL CGx C 13 21.0 . M 26 VAL CGy C 13 22.7 . M 26 VAL N N 15 126.700 . M 27 LYS H H 1 8.052 . M 27 LYS HA H 1 4.66 . M 27 LYS HBy H 1 1.93 . M 27 LYS HBx H 1 1.65 . M 27 LYS HDx H 1 1.68 . M 27 LYS HDy H 1 1.68 . M 27 LYS HEx H 1 2.9 . M 27 LYS HEy H 1 2.9 . M 27 LYS HGy H 1 1.37 . M 27 LYS HGx H 1 1.35 . M 27 LYS C C 13 176.108 . M 27 LYS CA C 13 53.998 . M 27 LYS CB C 13 36.463 . M 27 LYS CD C 13 29.1 . M 27 LYS CE C 13 42.1 . M 27 LYS CG C 13 24.4 . M 27 LYS N N 15 126.282 . M 28 ARG H H 1 8.685 . M 28 ARG HA H 1 4.61 . M 28 ARG HBx H 1 1.75 . M 28 ARG HBy H 1 1.75 . M 28 ARG HDx H 1 3.22 . M 28 ARG HDy H 1 3.22 . M 28 ARG HGx H 1 1.61 . M 28 ARG HGy H 1 1.61 . M 28 ARG C C 13 177.048 . M 28 ARG CA C 13 57.057 . M 28 ARG CB C 13 31.090 . M 28 ARG CD C 13 43.2 . M 28 ARG CG C 13 27.1 . M 28 ARG N N 15 122.239 . M 29 ALA H H 1 9.559 . M 29 ALA HA H 1 4.89 . M 29 ALA HB% H 1 1.40 . M 29 ALA C C 13 177.122 . M 29 ALA CA C 13 50.715 . M 29 ALA CB C 13 22.435 . M 29 ALA N N 15 126.043 . M 30 SER HA H 1 4.37 . M 30 SER HBx H 1 3.98 . M 30 SER HBy H 1 3.98 . M 30 SER C C 13 173.184 . M 30 SER CA C 13 60.170 . M 30 SER CB C 13 64.046 . M 31 SER H H 1 7.154 . M 31 SER HA H 1 4.5 . M 31 SER HBx H 1 4.00 . M 31 SER HBy H 1 4.10 . M 31 SER C C 13 173.153 . M 31 SER CA C 13 56.527 . M 31 SER CB C 13 65.984 . M 31 SER N N 15 110.737 . M 32 LEU H H 1 8.731 . M 32 LEU HA H 1 3.06 . M 32 LEU HBy H 1 1.69 . M 32 LEU HBx H 1 1.57 . M 32 LEU HDx% H 1 1.05 . M 32 LEU HDy% H 1 0.93 . M 32 LEU HG H 1 1.61 . M 32 LEU C C 13 178.625 . M 32 LEU CA C 13 57.845 . M 32 LEU CB C 13 42.030 . M 32 LEU CDx C 13 25.7 . M 32 LEU CDy C 13 26.1 . M 32 LEU CG C 13 26.7 . M 32 LEU N N 15 122.752 . M 33 SER H H 1 8.221 . M 33 SER HA H 1 3.87 . M 33 SER HBx H 1 3.79 . M 33 SER HBy H 1 3.79 . M 33 SER C C 13 177.003 . M 33 SER CA C 13 61.721 . M 33 SER CB C 13 62.5 . M 33 SER N N 15 113.328 . M 34 GLU H H 1 7.815 . M 34 GLU HA H 1 4.04 . M 34 GLU HBy H 1 1.98 . M 34 GLU HBx H 1 1.95 . M 34 GLU HGy H 1 2.4 . M 34 GLU HGx H 1 2.13 . M 34 GLU C C 13 178.197 . M 34 GLU CA C 13 58.98 . M 34 GLU CB C 13 29.782 . M 34 GLU CG C 13 36.6 . M 34 GLU N N 15 123.940 . M 35 CYS H H 1 7.423 . M 35 CYS HA H 1 4.47 . M 35 CYS HBx H 1 2.66 . M 35 CYS HBy H 1 2.66 . M 35 CYS C C 13 174.719 . M 35 CYS CA C 13 56.139 . M 35 CYS CB C 13 35.519 . M 35 CYS N N 15 118.374 . M 36 ARG H H 1 8.191 . M 36 ARG HA H 1 2.45 . M 36 ARG HBy H 1 1.76 . M 36 ARG HBx H 1 1.43 . M 36 ARG HDx H 1 3.22 . M 36 ARG HDy H 1 3.22 . M 36 ARG HGx H 1 1.26 . M 36 ARG HGy H 1 1.26 . M 36 ARG C C 13 178.435 . M 36 ARG CA C 13 59.370 . M 36 ARG CB C 13 28.852 . M 36 ARG CD C 13 43.4 . M 36 ARG CG C 13 26.9 . M 36 ARG N N 15 120.865 . M 37 ALA H H 1 7.75 . M 37 ALA HA H 1 4.05 . M 37 ALA HB% H 1 1.46 . M 37 ALA C C 13 180.405 . M 37 ALA CA C 13 55.192 . M 37 ALA CB C 13 17.734 . M 37 ALA N N 15 121.230 . M 38 ARG H H 1 7.771 . M 38 ARG HA H 1 4.05 . M 38 ARG HBy H 1 2.14 . M 38 ARG HBx H 1 1.96 . M 38 ARG HDx H 1 3.14 . M 38 ARG HDy H 1 3.37 . M 38 ARG HGx H 1 1.72 . M 38 ARG HGy H 1 1.96 . M 38 ARG C C 13 179.092 . M 38 ARG CA C 13 59.519 . M 38 ARG CB C 13 29.747 . M 38 ARG CD C 13 43.9 . M 38 ARG CG C 13 26.9 . M 38 ARG N N 15 120.562 . M 39 CYS H H 1 7.712 . M 39 CYS HA H 1 4.39 . M 39 CYS HBx H 1 2.79 . M 39 CYS HBy H 1 3.22 . M 39 CYS C C 13 175.884 . M 39 CYS CA C 13 58.326 . M 39 CYS CB C 13 41.462 . M 39 CYS N N 15 115.961 . M 40 GLN H H 1 8.398 . M 40 GLN HA H 1 3.813 . M 40 GLN HBx H 1 2.10 . M 40 GLN HBy H 1 2.10 . M 40 GLN HGx H 1 2.31 . M 40 GLN HGy H 1 2.51 . M 40 GLN C C 13 176.958 . M 40 GLN CA C 13 58.251 . M 40 GLN CB C 13 27.73 . M 40 GLN CG C 13 34.3 . M 40 GLN N N 15 116.460 . M 41 ALA H H 1 7.333 . M 41 ALA HA H 1 4.24 . M 41 ALA HB% H 1 1.52 . M 41 ALA C C 13 177.033 . M 41 ALA CA C 13 53.102 . M 41 ALA CB C 13 19.002 . M 41 ALA N N 15 118.732 . M 42 GLU H H 1 7.736 . M 42 GLU HA H 1 4.66 . M 42 GLU HBx H 1 2.11 . M 42 GLU HBy H 1 2.11 . M 42 GLU HGy H 1 2.40 . M 42 GLU HGx H 1 2.07 . M 42 GLU C C 13 176.496 . M 42 GLU CA C 13 54.296 . M 42 GLU CB C 13 30.792 . M 42 GLU CG C 13 35.0 . M 42 GLU N N 15 120.472 . M 43 LYS H H 1 8.890 . M 43 LYS HA H 1 4.04 . M 43 LYS HBx H 1 1.86 . M 43 LYS HBy H 1 1.96 . M 43 LYS HDx H 1 1.74 . M 43 LYS HDy H 1 1.74 . M 43 LYS HEx H 1 3.05 . M 43 LYS HEy H 1 3.05 . M 43 LYS HGx H 1 1.52 . M 43 LYS HGy H 1 1.54 . M 43 LYS C C 13 178.003 . M 43 LYS CA C 13 59.743 . M 43 LYS CB C 13 32.657 . M 43 LYS CD C 13 29.0 . M 43 LYS CE C 13 41.8 . M 43 LYS CG C 13 24.6 . M 43 LYS N N 15 128.833 . M 44 GLU H H 1 8.917 . M 44 GLU HA H 1 4.36 . M 44 GLU HBy H 1 2.31 . M 44 GLU HBx H 1 1.87 . M 44 GLU HGx H 1 2.26 . M 44 GLU HGy H 1 2.26 . M 44 GLU C C 13 176.078 . M 44 GLU CA C 13 56.162 . M 44 GLU CB C 13 30.046 . M 44 GLU CG C 13 37.2 . M 44 GLU N N 15 113.761 . M 45 CYS H H 1 7.642 . M 45 CYS HA H 1 4.71 . M 45 CYS HBy H 1 4.01 . M 45 CYS HBx H 1 3.23 . M 45 CYS C C 13 174.228 . M 45 CYS CA C 13 56.386 . M 45 CYS CB C 13 44.596 . M 45 CYS N N 15 118.165 . M 46 SER H H 1 9.717 . M 46 SER HA H 1 4.86 . M 46 SER HBy H 1 4.33 . M 46 SER HBx H 1 4.13 . M 46 SER C C 13 176.152 . M 46 SER CA C 13 58.027 . M 46 SER CB C 13 65.713 . M 46 SER N N 15 125.842 . M 47 HIS H H 1 8.725 . M 47 HIS HA H 1 5.06 . M 47 HIS HBy H 1 3.55 . M 47 HIS HBx H 1 3.25 . M 47 HIS HD1 H 1 11.65 . M 47 HIS HD2 H 1 6.34 . M 47 HIS HE1 H 1 6.74 . M 47 HIS HE2 H 1 11.65 . M 47 HIS C C 13 182.539 . M 47 HIS CA C 13 55.789 . M 47 HIS CB C 13 28.56 . M 47 HIS CD2 C 13 126.3 . M 47 HIS CE1 C 13 138.6 . M 47 HIS N N 15 121.863 . M 47 HIS ND1 N 15 169.3 . M 47 HIS NE2 N 15 169.3 . M 48 TYR H H 1 8.680 . M 48 TYR HA H 1 5.52 . M 48 TYR HBx H 1 2.72 . M 48 TYR HBy H 1 2.79 . M 48 TYR HDx H 1 6.77 . M 48 TYR HDy H 1 6.77 . M 48 TYR HEx H 1 6.58 . M 48 TYR HEy H 1 6.58 . M 48 TYR C C 13 172.482 . M 48 TYR CA C 13 54.520 . M 48 TYR CB C 13 40.865 . M 48 TYR CDx C 13 132.7 . M 48 TYR CDy C 13 132.7 . M 48 TYR CEy C 13 116.9 . M 48 TYR CEx C 13 47.3 . M 48 TYR N N 15 114.233 . M 49 THR H H 1 8.466 . M 49 THR HA H 1 5.54 . M 49 THR HB H 1 3.66 . M 49 THR HG2% H 1 1.25 . M 49 THR C C 13 172.497 . M 49 THR CA C 13 61.833 . M 49 THR CB C 13 72.204 . M 49 THR CG2 C 13 23.2 . M 49 THR N N 15 117.868 . M 50 TYR H H 1 9.865 . M 50 TYR HA H 1 5.79 . M 50 TYR HBy H 1 3.13 . M 50 TYR HBx H 1 2.91 . M 50 TYR HDx H 1 6.91 . M 50 TYR HDy H 1 6.91 . M 50 TYR HEx H 1 6.79 . M 50 TYR HEy H 1 6.79 . M 50 TYR C C 13 173.123 . M 50 TYR CA C 13 55.192 . M 50 TYR CB C 13 43.626 . M 50 TYR CDx C 13 131.1 . M 50 TYR CDy C 13 131.1 . M 50 TYR CEx C 13 117.2 . M 50 TYR CEy C 13 117.2 . M 50 TYR N N 15 129.736 . M 51 ASN H H 1 8.111 . M 51 ASN HA H 1 5.62 . M 51 ASN HBy H 1 3.05 . M 51 ASN HBx H 1 2.83 . M 51 ASN HD2y H 1 9.60 . M 51 ASN HD2x H 1 7.15 . M 51 ASN C C 13 175.272 . M 51 ASN CA C 13 52.505 . M 51 ASN CB C 13 41.089 . M 51 ASN N N 15 126.737 . M 51 ASN ND2 N 15 118.3 . M 52 VAL H H 1 8.489 . M 52 VAL HA H 1 3.69 . M 52 VAL HB H 1 2.33 . M 52 VAL HGx% H 1 1.16 . M 52 VAL HGy% H 1 1.19 . M 52 VAL C C 13 176.943 . M 52 VAL CA C 13 63.698 . M 52 VAL CB C 13 31.836 . M 52 VAL CGx C 13 20.2 . M 52 VAL CGy C 13 21.5 . M 52 VAL N N 15 120.584 . M 53 LYS H H 1 7.844 . M 53 LYS HA H 1 4.37 . M 53 LYS HBx H 1 1.95 . M 53 LYS HBy H 1 2.06 . M 53 LYS HDx H 1 1.68 . M 53 LYS HDy H 1 1.68 . M 53 LYS HEx H 1 3.0 . M 53 LYS HEy H 1 3.0 . M 53 LYS HGx H 1 1.42 . M 53 LYS HGy H 1 1.47 . M 53 LYS C C 13 177.883 . M 53 LYS CA C 13 57.654 . M 53 LYS CB C 13 32.583 . M 53 LYS CD C 13 28.5 . M 53 LYS CE C 13 41.7 . M 53 LYS CG C 13 24.7 . M 53 LYS N N 15 119.982 . M 54 SER H H 1 8.843 . M 54 SER HA H 1 4.42 . M 54 SER HBy H 1 3.98 . M 54 SER HBx H 1 3.87 . M 54 SER C C 13 176.108 . M 54 SER CA C 13 58.326 . M 54 SER CB C 13 64.444 . M 54 SER N N 15 114.167 . M 55 GLY H H 1 8.207 . M 55 GLY HAy H 1 4.19 . M 55 GLY HAx H 1 3.74 . M 55 GLY C C 13 173.108 . M 55 GLY CA C 13 46.014 . M 55 GLY N N 15 112.983 . M 56 LEU H H 1 7.645 . M 56 LEU HA H 1 4.03 . M 56 LEU HBy H 1 1.68 . M 56 LEU HBx H 1 0.68 . M 56 LEU HDx% H 1 0.86 . M 56 LEU HDy% H 1 0.58 . M 56 LEU HG H 1 1.46 . M 56 LEU C C 13 174.168 . M 56 LEU CA C 13 56.012 . M 56 LEU CB C 13 42.357 . M 56 LEU CDy C 13 24.9 . M 56 LEU CDx C 13 22.4 . M 56 LEU CG C 13 26.4 . M 56 LEU N N 15 118.971 . M 57 CYS H H 1 7.222 . M 57 CYS HA H 1 5.638 . M 57 CYS HBy H 1 3.06 . M 57 CYS HBx H 1 2.90 . M 57 CYS C C 13 172.497 . M 57 CYS CA C 13 53.923 . M 57 CYS CB C 13 40.194 . M 57 CYS N N 15 117.419 . M 58 TYR H H 1 10.107 . M 58 TYR HA H 1 5.01 . M 58 TYR HBy H 1 3.46 . M 58 TYR HBx H 1 2.78 . M 58 TYR HDx H 1 7.23 . M 58 TYR HDy H 1 7.23 . M 58 TYR HEx H 1 6.69 . M 58 TYR HEy H 1 6.69 . M 58 TYR C C 13 172.467 . M 58 TYR CA C 13 53.9 . M 58 TYR CB C 13 39.224 . M 58 TYR CDx C 13 133.4 . M 58 TYR CDy C 13 133.4 . M 58 TYR CEx C 13 117.6 . M 58 TYR CEy C 13 117.6 . M 58 TYR N N 15 128.589 . M 59 PRO HA H 1 4.64 . M 59 PRO HBy H 1 2.37 . M 59 PRO HBx H 1 2.15 . M 59 PRO HDx H 1 3.82 . M 59 PRO HDy H 1 4.05 . M 59 PRO HGy H 1 2.44 . M 59 PRO HGx H 1 1.66 . M 59 PRO C C 13 175.973 . M 59 PRO CA C 13 63.5 . M 59 PRO CB C 13 32.284 . M 59 PRO CD C 13 51.4 . M 59 PRO CG C 13 27.7 . M 60 LYS H H 1 9.077 . M 60 LYS HA H 1 5.20 . M 60 LYS HBx H 1 0.03 . M 60 LYS HBy H 1 1.03 . M 60 LYS HDx H 1 1.1 . M 60 LYS HDy H 1 1.23 . M 60 LYS HEx H 1 2.81 . M 60 LYS HEy H 1 3.35 . M 60 LYS HGx H 1 1.05 . M 60 LYS HGy H 1 1.18 . M 60 LYS C C 13 174.407 . M 60 LYS CA C 13 55.042 . M 60 LYS CB C 13 35.940 . M 60 LYS CD C 13 29.7 . M 60 LYS CE C 13 43.5 . M 60 LYS CG C 13 24.7 . M 60 LYS N N 15 124.051 . M 61 ARG H H 1 8.039 . M 61 ARG HA H 1 5.28 . M 61 ARG HBy H 1 1.92 . M 61 ARG HBx H 1 1.64 . M 61 ARG HDx H 1 3.16 . M 61 ARG HDy H 1 3.19 . M 61 ARG HGx H 1 1.52 . M 61 ARG HGy H 1 1.56 . M 61 ARG C C 13 176.600 . M 61 ARG CA C 13 53.102 . M 61 ARG CB C 13 34.448 . M 61 ARG CD C 13 43.5 . M 61 ARG CG C 13 26.2 . M 61 ARG N N 15 116.032 . M 62 GLY H H 1 8.831 . M 62 GLY HAy H 1 4.14 . M 62 GLY HAx H 1 3.87 . M 62 GLY C C 13 174.660 . M 62 GLY CA C 13 44.521 . M 62 GLY N N 15 106.234 . M 63 LYS H H 1 8.341 . M 63 LYS HA H 1 4.37 . M 63 LYS HBx H 1 1.65 . M 63 LYS HBy H 1 1.65 . M 63 LYS HDx H 1 1.68 . M 63 LYS HDy H 1 1.68 . M 63 LYS HEx H 1 2.98 . M 63 LYS HEy H 1 2.98 . M 63 LYS HGx H 1 1.46 . M 63 LYS HGy H 1 1.46 . M 63 LYS CA C 13 54.371 . M 63 LYS CB C 13 32.657 . M 63 LYS CD C 13 28.9 . M 63 LYS CE C 13 41.8 . M 63 LYS CG C 13 24.5 . M 63 LYS N N 15 121.546 . M 64 PRO HA H 1 3.58 . M 64 PRO HBx H 1 0.36 . M 64 PRO HBy H 1 0.56 . M 64 PRO HDx H 1 3.26 . M 64 PRO HDy H 1 3.49 . M 64 PRO HGy H 1 1.54 . M 64 PRO HGx H 1 0.42 . M 64 PRO C C 13 175.929 . M 64 PRO CA C 13 62.952 . M 64 PRO CB C 13 31.463 . M 64 PRO CD C 13 50.1 . M 64 PRO CG C 13 26.37 . M 65 GLN H H 1 6.998 . M 65 GLN HA H 1 4.51 . M 65 GLN HBy H 1 1.98 . M 65 GLN HBx H 1 1.55 . M 65 GLN HGx H 1 2.15 . M 65 GLN HGy H 1 2.19 . M 65 GLN C C 13 175.600 . M 65 GLN CA C 13 53.475 . M 65 GLN CB C 13 31.463 . M 65 GLN CG C 13 32.3 . M 65 GLN N N 15 122.330 . M 66 PHE H H 1 8.332 . M 66 PHE HA H 1 5.59 . M 66 PHE HBy H 1 3.07 . M 66 PHE HBx H 1 2.86 . M 66 PHE HDx H 1 7.18 . M 66 PHE HDy H 1 7.18 . M 66 PHE HEx H 1 7.00 . M 66 PHE HEy H 1 7.00 . M 66 PHE C C 13 176.660 . M 66 PHE CA C 13 58.176 . M 66 PHE CB C 13 39.8 . M 66 PHE CDx C 13 129.9 . M 66 PHE CDy C 13 129.9 . M 66 PHE CEx C 13 129.8 . M 66 PHE CEy C 13 129.8 . M 66 PHE N N 15 123.218 . M 67 TYR H H 1 8.622 . M 67 TYR HA H 1 4.87 . M 67 TYR HBy H 1 3.13 . M 67 TYR HBx H 1 3.07 . M 67 TYR HDx H 1 7.06 . M 67 TYR HDy H 1 7.06 . M 67 TYR HEx H 1 6.53 . M 67 TYR HEy H 1 6.53 . M 67 TYR C C 13 172.228 . M 67 TYR CA C 13 56.012 . M 67 TYR CB C 13 40.417 . M 67 TYR CDx C 13 132.6 . M 67 TYR CDy C 13 132.6 . M 67 TYR CEx C 13 116.9 . M 67 TYR CEy C 13 116.9 . M 67 TYR N N 15 119.988 . M 68 LYS H H 1 8.431 . M 68 LYS HA H 1 4.85 . M 68 LYS HBx H 1 1.76 . M 68 LYS HBy H 1 1.76 . M 68 LYS HDx H 1 1.71 . M 68 LYS HDy H 1 1.71 . M 68 LYS HEx H 1 3.01 . M 68 LYS HEy H 1 3.21 . M 68 LYS HGx H 1 1.31 . M 68 LYS HGy H 1 1.57 . M 68 LYS C C 13 175.824 . M 68 LYS CA C 13 55.714 . M 68 LYS CB C 13 32.881 . M 68 LYS CD C 13 28.9 . M 68 LYS CE C 13 41.7 . M 68 LYS CG C 13 24.6 . M 68 LYS N N 15 121.648 . M 69 TYR H H 1 7.808 . M 69 TYR HA H 1 4.10 . M 69 TYR HBy H 1 2.70 . M 69 TYR HBx H 1 2.39 . M 69 TYR HDx H 1 6.97 . M 69 TYR HDy H 1 6.97 . M 69 TYR HEx H 1 6.79 . M 69 TYR HEy H 1 6.79 . M 69 TYR C C 13 174.839 . M 69 TYR CA C 13 59.594 . M 69 TYR CB C 13 40.194 . M 69 TYR CDx C 13 132.9 . M 69 TYR CDy C 13 132.9 . M 69 TYR CEx C 13 116.9 . M 69 TYR CEy C 13 116.9 . M 69 TYR N N 15 126.386 . M 70 LEU H H 1 7.711 . M 70 LEU HA H 1 3.76 . M 70 LEU HBx H 1 1.31 . M 70 LEU HBy H 1 1.31 . M 70 LEU HDx% H 1 0.82 . M 70 LEU HDy% H 1 0.79 . M 70 LEU HG H 1 1.39 . M 70 LEU C C 13 177.227 . M 70 LEU CA C 13 57.057 . M 70 LEU CB C 13 41.238 . M 70 LEU CDx C 13 23.6 . M 70 LEU CDy C 13 24.1 . M 70 LEU CG C 13 26.8 . M 70 LEU N N 15 128.629 . M 71 GLY H H 1 9.272 . M 71 GLY HAy H 1 4.18 . M 71 GLY HAx H 1 3.81 . M 71 GLY C C 13 173.646 . M 71 GLY CA C 13 45.268 . M 71 GLY N N 15 114.781 . M 72 ASP H H 1 7.680 . M 72 ASP HA H 1 5.04 . M 72 ASP HBy H 1 2.53 . M 72 ASP HBx H 1 2.31 . M 72 ASP C C 13 176.824 . M 72 ASP CA C 13 55.639 . M 72 ASP CB C 13 41.089 . M 72 ASP N N 15 122.560 . M 73 MET H H 1 8.826 . M 73 MET HA H 1 5.29 . M 73 MET HBx H 1 2.0 . M 73 MET HBy H 1 2.30 . M 73 MET HGx H 1 2.85 . M 73 MET HGy H 1 2.85 . M 73 MET C C 13 175.720 . M 73 MET CA C 13 55.117 . M 73 MET CB C 13 36.313 . M 73 MET CG C 13 32.5 . M 73 MET N N 15 118.999 . M 74 THR H H 1 8.411 . M 74 THR HA H 1 5.83 . M 74 THR HB H 1 3.73 . M 74 THR HG2% H 1 1.29 . M 74 THR C C 13 173.690 . M 74 THR CA C 13 61.460 . M 74 THR CB C 13 71.831 . M 74 THR CG2 C 13 21.5 . M 74 THR N N 15 118.609 . M 75 GLY H H 1 8.230 . M 75 GLY HAy H 1 5.07 . M 75 GLY HAx H 1 3.31 . M 75 GLY C C 13 171.766 . M 75 GLY CA C 13 43.924 . M 75 GLY N N 15 113.677 . M 76 SER H H 1 7.808 . M 76 SER HA H 1 4.38 . M 76 SER HBy H 1 3.20 . M 76 SER HBx H 1 3.05 . M 76 SER C C 13 174.615 . M 76 SER CA C 13 57.803 . M 76 SER CB C 13 64.743 . M 76 SER N N 15 112.778 . M 77 ARG H H 1 7.927 . M 77 ARG HA H 1 3.99 . M 77 ARG HBy H 1 1.97 . M 77 ARG HBx H 1 1.92 . M 77 ARG HDx H 1 3.24 . M 77 ARG HDy H 1 3.67 . M 77 ARG HGx H 1 1.71 . M 77 ARG HGy H 1 1.71 . M 77 ARG C C 13 175.735 . M 77 ARG CA C 13 60.490 . M 77 ARG CB C 13 30.642 . M 77 ARG CD C 13 42.9 . M 77 ARG CG C 13 27.3 . M 77 ARG N N 15 123.400 . M 78 THR H H 1 7.863 . M 78 THR HA H 1 4.51 . M 78 THR HG2% H 1 1.22 . M 78 THR C C 13 173.690 . M 78 THR CA C 13 59.669 . M 78 THR CB C 13 70.264 . M 78 THR N N 15 106.934 . M 80 ASP HA H 1 4.72 . M 80 ASP HBy H 1 2.79 . M 80 ASP HBx H 1 2.65 . M 80 ASP C C 13 176.182 . M 80 ASP CA C 13 54.669 . M 80 ASP CB C 13 41.313 . M 81 THR H H 1 8.090 . M 81 THR HA H 1 4.41 . M 81 THR C C 13 173.899 . M 81 THR CA C 13 61.683 . M 81 THR CB C 13 69.667 . M 81 THR CG2 C 13 21.35 . M 81 THR N N 15 113.693 . M 82 SER H H 1 7.986 . M 82 SER C C 13 178.749 . M 82 SER CA C 13 60.191 . M 82 SER CB C 13 64.892 . M 82 SER N N 15 123.528 . 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 noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 M 67 TYR HE% A 2 GAL H2 1.0 3.2 5.0 2 2 M 58 TYR HD% A 2 GAL H3 1.0 3.2 5.0 3 3 M 58 TYR HD% A 2 GAL H4 1.0 3.2 5.0 4 4 M 69 TYR HD% A 2 GAL H6y 1.0 3.2 5.0 5 4 M 69 TYR HD% A 2 GAL H6x 1.0 3.2 5.0 6 5 M 69 TYR HE% A 2 GAL H6y 1.0 3.2 5.0 7 5 M 69 TYR HE% A 2 GAL H6x 1.0 3.2 5.0 stop_ save_