data_nef_c27078_6f7e 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . 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 5 CYS SG 1 101 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 A 1 HIS start . . 2 A 2 THR middle . . 3 A 3 GLY middle . false 4 A 4 SER middle . . 5 A 5 CYS middle -HG . 6 A 6 MET middle . . 7 A 7 ALA middle . . 8 A 8 VAL middle . . 9 A 9 TYR middle . . 10 A 10 SER middle . . 11 A 11 VAL middle . . 12 A 12 GLU middle . . 13 A 13 ASN middle . . 14 A 14 SER middle . . 15 A 15 TRP middle . . 16 A 16 SER middle . . 17 A 17 GLY middle . false 18 A 18 GLY middle . false 19 A 19 PHE middle . . 20 A 20 GLN middle . . 21 A 21 GLY middle . false 22 A 22 SER middle . . 23 A 23 VAL middle . . 24 A 24 GLU middle . . 25 A 25 VAL middle . . 26 A 26 MET middle . . 27 A 27 ASN middle . . 28 A 28 HIS middle . . 29 A 29 GLY middle . false 30 A 30 THR middle . . 31 A 31 GLU middle . . 32 A 32 PRO middle . false 33 A 33 LEU middle . . 34 A 34 ASN middle . . 35 A 35 GLY middle . false 36 A 36 TRP middle . . 37 A 37 ALA middle . . 38 A 38 VAL middle . . 39 A 39 GLN middle . . 40 A 40 TRP middle . . 41 A 41 GLN middle . . 42 A 42 PRO middle . false 43 A 43 GLY middle . false 44 A 44 GLY middle . false 45 A 45 GLY middle . false 46 A 46 THR middle . . 47 A 47 THR middle . . 48 A 48 LEU middle . . 49 A 49 GLY middle . false 50 A 50 GLY middle . false 51 A 51 VAL middle . . 52 A 52 TRP middle . . 53 A 53 ASN middle . . 54 A 54 GLY middle . false 55 A 55 SER middle . . 56 A 56 LEU middle . . 57 A 57 THR middle . . 58 A 58 SER middle . . 59 A 59 GLY middle . false 60 A 60 SER middle . . 61 A 61 ASP middle . . 62 A 62 GLY middle . false 63 A 63 THR middle . . 64 A 64 VAL middle . . 65 A 65 THR middle . . 66 A 66 VAL middle . . 67 A 67 ARG middle . . 68 A 68 ASN middle . . 69 A 69 VAL middle . . 70 A 70 ASP middle . . 71 A 71 HIS middle . . 72 A 72 ASN middle . . 73 A 73 ARG middle . . 74 A 74 VAL middle . . 75 A 75 VAL middle . . 76 A 76 PRO middle . false 77 A 77 PRO middle . false 78 A 78 ASP middle . . 79 A 79 GLY middle . false 80 A 80 SER middle . . 81 A 81 VAL middle . . 82 A 82 THR middle . . 83 A 83 PHE middle . . 84 A 84 GLY middle . false 85 A 85 PHE middle . . 86 A 86 THR middle . . 87 A 87 ALA middle . . 88 A 88 THR middle . . 89 A 89 SER middle . . 90 A 90 THR middle . . 91 A 91 GLY middle . false 92 A 92 ASN middle . . 93 A 93 ASP middle . . 94 A 94 PHE middle . . 95 A 95 PRO middle . false 96 A 96 VAL middle . . 97 A 97 ASP middle . . 98 A 98 SER middle . . 99 A 99 ILE middle . . 100 A 100 GLY middle . false 101 A 101 CYS middle -HG . 102 A 102 VAL middle . . 103 A 103 ALA middle . . 104 A 104 PRO end . false stop_ save_ save_assigned_chem_shift_list_cels2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_cels2 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 HIS HA H 1 4.09 0.02 A 1 HIS HB2 H 1 2.08 0.02 A 1 HIS C C 13 176.8 0.3 A 1 HIS CA C 13 63.1 0.3 A 1 HIS CB C 13 32.7 0.3 A 2 GLY H H 1 8.46 0.02 A 2 GLY HA2 H 1 3.90 0.02 A 2 GLY C C 13 173.8 0.3 A 2 GLY CA C 13 45.1 0.3 A 2 GLY N N 15 113.2 0.3 A 3 VAL H H 1 8.18 0.02 A 3 VAL HA H 1 4.05 0.02 A 3 VAL HB H 1 2.03 0.02 A 3 VAL HG1% H 1 0.91 0.02 A 3 VAL C C 13 176.0 0.3 A 3 VAL CA C 13 62.3 0.3 A 3 VAL CB C 13 32.4 0.3 A 3 VAL CG1 C 13 20.7 0.3 A 3 VAL N N 15 120.7 0.3 A 4 ALA H H 1 8.16 0.02 A 4 ALA HA H 1 4.32 0.02 A 4 ALA HB% H 1 1.32 0.02 A 4 ALA C C 13 177.7 0.3 A 4 ALA CA C 13 52.5 0.3 A 4 ALA CB C 13 19.1 0.3 A 4 ALA N N 15 128.0 0.3 A 5 MET H H 1 8.04 0.02 A 5 MET HA H 1 4.05 0.02 A 5 MET HB2 H 1 2.01 0.02 A 5 MET C C 13 176.2 0.3 A 5 MET CA C 13 62.3 0.3 A 5 MET CB C 13 32.6 0.3 A 5 MET N N 15 120.2 0.3 A 6 MET H H 1 8.46 0.02 A 6 MET C C 13 175.9 0.3 A 6 MET CA C 13 56.2 0.3 A 6 MET CB C 13 30.1 0.3 A 6 MET N N 15 125.7 0.3 A 7 PRO HA H 1 4.30 0.02 A 7 PRO HBy H 1 2.23 0.02 A 7 PRO HBx H 1 1.87 0.02 A 7 PRO HD2 H 1 3.79 0.02 A 7 PRO HG2 H 1 2.10 0.02 A 7 PRO C C 13 177.8 0.3 A 7 PRO CA C 13 61.9 0.3 A 7 PRO CB C 13 33.1 0.3 A 7 PRO CD C 13 50.0 0.3 A 7 PRO CG C 13 27.3 0.3 A 8 GLY H H 1 9.71 0.02 A 8 GLY HAy H 1 3.31 0.02 A 8 GLY HAx H 1 3.21 0.02 A 8 GLY C C 13 172.7 0.3 A 8 GLY CA C 13 47.2 0.3 A 8 GLY N N 15 117.1 0.3 A 9 SER H H 1 7.92 0.02 A 9 SER HA H 1 5.00 0.02 A 9 SER HBy H 1 4.51 0.02 A 9 SER HBx H 1 3.83 0.02 A 9 SER C C 13 175.4 0.3 A 9 SER CA C 13 57.8 0.3 A 9 SER CB C 13 65.1 0.3 A 9 SER N N 15 120.2 0.3 A 10 ARG H H 1 8.68 0.02 A 10 ARG HA H 1 4.15 0.02 A 10 ARG HBy H 1 2.41 0.02 A 10 ARG HBx H 1 2.31 0.02 A 10 ARG HDy H 1 3.86 0.02 A 10 ARG HDx H 1 3.80 0.02 A 10 ARG HGy H 1 2.12 0.02 A 10 ARG HGx H 1 1.83 0.02 A 10 ARG C C 13 179.1 0.3 A 10 ARG CA C 13 61.4 0.3 A 10 ARG CB C 13 32.5 0.3 A 10 ARG CD C 13 45.1 0.3 A 10 ARG CG C 13 29.1 0.3 A 10 ARG N N 15 121.3 0.3 A 11 THR H H 1 8.22 0.02 A 11 THR C C 13 174.5 0.3 A 11 THR CA C 13 64.8 0.3 A 11 THR N N 15 105.6 0.3 A 13 LEU HA H 1 4.63 0.02 A 13 LEU HB2 H 1 2.00 0.02 A 13 LEU C C 13 174.8 0.3 A 13 LEU CA C 13 57.5 0.3 A 13 LEU CB C 13 40.0 0.3 A 14 CYS H H 1 8.77 0.02 A 14 CYS HA H 1 5.06 0.02 A 14 CYS HB2 H 1 3.09 0.02 A 14 CYS C C 13 176.8 0.3 A 14 CYS CA C 13 55.3 0.3 A 14 CYS CB C 13 34.5 0.3 A 14 CYS N N 15 123.8 0.3 A 15 GLN H H 1 8.09 0.02 A 15 GLN HA H 1 4.03 0.02 A 15 GLN HBy H 1 2.26 0.02 A 15 GLN HBx H 1 1.81 0.02 A 15 GLN C C 13 177.4 0.3 A 15 GLN CA C 13 59.4 0.3 A 15 GLN CB C 13 24.4 0.3 A 15 GLN N N 15 123.2 0.3 A 16 LEU H H 1 7.11 0.02 A 16 LEU HA H 1 3.76 0.02 A 16 LEU HBy H 1 1.44 0.02 A 16 LEU HBx H 1 1.24 0.02 A 16 LEU HD1% H 1 0.52 0.02 A 16 LEU HD2% H 1 0.47 0.02 A 16 LEU HG H 1 0.96 0.02 A 16 LEU C C 13 180.0 0.3 A 16 LEU CA C 13 57.5 0.3 A 16 LEU CB C 13 42.0 0.3 A 16 LEU CD1 C 13 25.0 0.3 A 16 LEU CD2 C 13 22.2 0.3 A 16 LEU CG C 13 25.7 0.3 A 16 LEU N N 15 121.8 0.3 A 17 ASP H H 1 7.71 0.02 A 17 ASP HA H 1 4.25 0.02 A 17 ASP HBy H 1 2.93 0.02 A 17 ASP HBx H 1 2.75 0.02 A 17 ASP C C 13 176.7 0.3 A 17 ASP CA C 13 56.9 0.3 A 17 ASP CB C 13 43.4 0.3 A 17 ASP N N 15 120.2 0.3 A 18 ALA H H 1 7.77 0.02 A 18 ALA HA H 1 3.66 0.02 A 18 ALA HB% H 1 1.32 0.02 A 18 ALA C C 13 177.2 0.3 A 18 ALA CA C 13 52.4 0.3 A 18 ALA CB C 13 21.0 0.3 A 18 ALA N N 15 115.7 0.3 A 19 LYS H H 1 7.37 0.02 A 19 LYS HA H 1 4.25 0.02 A 19 LYS HBy H 1 1.94 0.02 A 19 LYS HBx H 1 1.84 0.02 A 19 LYS HDy H 1 1.67 0.02 A 19 LYS HDx H 1 1.65 0.02 A 19 LYS HE2 H 1 2.93 0.02 A 19 LYS HGy H 1 1.48 0.02 A 19 LYS HGx H 1 1.42 0.02 A 19 LYS C C 13 177.1 0.3 A 19 LYS CA C 13 57.3 0.3 A 19 LYS CB C 13 31.1 0.3 A 19 LYS CD C 13 29.3 0.3 A 19 LYS CE C 13 42.2 0.3 A 19 LYS CG C 13 24.7 0.3 A 19 LYS N N 15 116.0 0.3 A 20 THR H H 1 7.99 0.02 A 20 THR HA H 1 4.39 0.02 A 20 THR HB H 1 3.65 0.02 A 20 THR HG2% H 1 1.20 0.02 A 20 THR C C 13 176.5 0.3 A 20 THR CA C 13 62.1 0.3 A 20 THR CB C 13 70.7 0.3 A 20 THR CG2 C 13 21.3 0.3 A 20 THR N N 15 115.2 0.3 A 21 GLY H H 1 8.74 0.02 A 21 GLY HAy H 1 4.22 0.02 A 21 GLY HAx H 1 4.07 0.02 A 21 GLY C C 13 175.0 0.3 A 21 GLY CA C 13 45.8 0.3 A 21 GLY N N 15 110.4 0.3 A 22 THR H H 1 7.95 0.02 A 22 THR HA H 1 4.57 0.02 A 22 THR HB H 1 3.89 0.02 A 22 THR HG2% H 1 1.20 0.02 A 22 THR C C 13 175.6 0.3 A 22 THR CA C 13 61.5 0.3 A 22 THR CB C 13 69.9 0.3 A 22 THR CG2 C 13 21.1 0.3 A 22 THR N N 15 110.6 0.3 A 23 GLY H H 1 8.12 0.02 A 23 GLY HAy H 1 4.24 0.02 A 23 GLY HAx H 1 3.83 0.02 A 23 GLY C C 13 173.5 0.3 A 23 GLY CA C 13 45.2 0.3 A 23 GLY N N 15 111.5 0.3 A 24 ALA H H 1 7.58 0.02 A 24 ALA HA H 1 4.37 0.02 A 24 ALA HB% H 1 1.31 0.02 A 24 ALA C C 13 176.6 0.3 A 24 ALA CA C 13 51.3 0.3 A 24 ALA CB C 13 19.8 0.3 A 24 ALA N N 15 124.2 0.3 A 25 LEU H H 1 8.25 0.02 A 25 LEU HA H 1 4.55 0.02 A 25 LEU HBy H 1 2.58 0.02 A 25 LEU HBx H 1 2.53 0.02 A 25 LEU HD1% H 1 0.71 0.02 A 25 LEU HD2% H 1 0.68 0.02 A 25 LEU HG H 1 1.78 0.02 A 25 LEU C C 13 176.2 0.3 A 25 LEU CA C 13 54.1 0.3 A 25 LEU CB C 13 42.4 0.3 A 25 LEU CD1 C 13 23.3 0.3 A 25 LEU CD2 C 13 26.3 0.3 A 25 LEU CG C 13 29.8 0.3 A 25 LEU N N 15 121.0 0.3 A 26 ASP H H 1 8.97 0.02 A 26 ASP C C 13 171.4 0.3 A 26 ASP CA C 13 51.6 0.3 A 26 ASP CB C 13 41.0 0.3 A 26 ASP N N 15 122.1 0.3 A 27 PRO HA H 1 4.30 0.02 A 27 PRO HBy H 1 2.01 0.02 A 27 PRO HBx H 1 1.81 0.02 A 27 PRO HDy H 1 3.28 0.02 A 27 PRO HDx H 1 3.15 0.02 A 27 PRO HG2 H 1 2.35 0.02 A 27 PRO CA C 13 63.3 0.3 A 27 PRO CB C 13 32.5 0.3 A 27 PRO CD C 13 49.9 0.3 A 27 PRO CG C 13 31.6 0.3 A 28 THR H H 1 8.99 0.02 A 28 THR HA H 1 4.26 0.02 A 28 THR HB H 1 4.13 0.02 A 28 THR HG2% H 1 1.16 0.02 A 28 THR C C 13 175.0 0.3 A 28 THR CA C 13 62.7 0.3 A 28 THR CB C 13 70.3 0.3 A 28 THR CG2 C 13 21.3 0.3 A 28 THR N N 15 115.5 0.3 A 29 ASN H H 1 9.88 0.02 A 29 ASN C C 13 174.7 0.3 A 29 ASN CA C 13 52.0 0.3 A 29 ASN CB C 13 39.7 0.3 A 29 ASN N N 15 129.4 0.3 A 30 PRO HA H 1 4.17 0.02 A 30 PRO HBy H 1 2.16 0.02 A 30 PRO HBx H 1 1.70 0.02 A 30 PRO HDy H 1 3.89 0.02 A 30 PRO HDx H 1 3.65 0.02 A 30 PRO HGy H 1 1.96 0.02 A 30 PRO HGx H 1 1.91 0.02 A 30 PRO C C 13 179.0 0.3 A 30 PRO CA C 13 64.9 0.3 A 30 PRO CB C 13 31.7 0.3 A 30 PRO CD C 13 50.9 0.3 A 30 PRO CG C 13 27.7 0.3 A 31 ALA H H 1 7.15 0.02 A 31 ALA HA H 1 3.25 0.02 A 31 ALA HB% H 1 0.08 0.02 A 31 ALA C C 13 180.3 0.3 A 31 ALA CA C 13 55.0 0.3 A 31 ALA CB C 13 16.2 0.3 A 31 ALA N N 15 124.1 0.3 A 32 CYS H H 1 8.61 0.02 A 32 CYS HA H 1 4.46 0.02 A 32 CYS HBy H 1 3.21 0.02 A 32 CYS HBx H 1 2.90 0.02 A 32 CYS C C 13 178.4 0.3 A 32 CYS CA C 13 55.7 0.3 A 32 CYS CB C 13 33.7 0.3 A 32 CYS N N 15 118.3 0.3 A 33 GLN H H 1 8.68 0.02 A 33 GLN HA H 1 3.68 0.02 A 33 GLN HBy H 1 1.99 0.02 A 33 GLN HBx H 1 1.93 0.02 A 33 GLN HG2 H 1 2.14 0.02 A 33 GLN C C 13 177.6 0.3 A 33 GLN CA C 13 59.5 0.3 A 33 GLN CB C 13 28.2 0.3 A 33 GLN CG C 13 33.3 0.3 A 33 GLN N N 15 122.1 0.3 A 34 ALA H H 1 7.65 0.02 A 34 ALA HA H 1 4.05 0.02 A 34 ALA HB% H 1 1.24 0.02 A 34 ALA C C 13 180.0 0.3 A 34 ALA CA C 13 54.7 0.3 A 34 ALA CB C 13 17.6 0.3 A 34 ALA N N 15 122.5 0.3 A 35 ALA H H 1 8.08 0.02 A 35 ALA HA H 1 3.84 0.02 A 35 ALA HB% H 1 0.97 0.02 A 35 ALA C C 13 178.2 0.3 A 35 ALA CA C 13 54.1 0.3 A 35 ALA CB C 13 17.9 0.3 A 35 ALA N N 15 120.2 0.3 A 36 LEU H H 1 8.25 0.02 A 36 LEU HA H 1 4.01 0.02 A 36 LEU HBy H 1 2.09 0.02 A 36 LEU HBx H 1 2.01 0.02 A 36 LEU HD1% H 1 0.15 0.02 A 36 LEU HD2% H 1 0.09 0.02 A 36 LEU HG H 1 0.72 0.02 A 36 LEU C C 13 178.9 0.3 A 36 LEU CA C 13 58.1 0.3 A 36 LEU CB C 13 41.0 0.3 A 36 LEU CD1 C 13 22.7 0.3 A 36 LEU CD2 C 13 23.1 0.3 A 36 LEU CG C 13 26.2 0.3 A 36 LEU N N 15 126.1 0.3 A 37 ASP H H 1 7.92 0.02 A 37 ASP HA H 1 4.25 0.02 A 37 ASP HBy H 1 2.76 0.02 A 37 ASP HBx H 1 2.63 0.02 A 37 ASP C C 13 177.5 0.3 A 37 ASP CA C 13 57.4 0.3 A 37 ASP CB C 13 40.6 0.3 A 37 ASP N N 15 120.8 0.3 A 38 GLN H H 1 7.99 0.02 A 38 GLN HA H 1 4.17 0.02 A 38 GLN HBy H 1 2.11 0.02 A 38 GLN HBx H 1 1.83 0.02 A 38 GLN HGy H 1 2.42 0.02 A 38 GLN HGx H 1 2.30 0.02 A 38 GLN C C 13 177.7 0.3 A 38 GLN CA C 13 58.3 0.3 A 38 GLN CB C 13 29.3 0.3 A 38 GLN CG C 13 33.1 0.3 A 38 GLN N N 15 116.3 0.3 A 39 SER H H 1 8.06 0.02 A 39 SER HA H 1 4.72 0.02 A 39 SER HBy H 1 4.35 0.02 A 39 SER HBx H 1 3.69 0.02 A 39 SER C C 13 175.1 0.3 A 39 SER CA C 13 61.5 0.3 A 39 SER CB C 13 65.4 0.3 A 39 SER N N 15 113.6 0.3 A 40 GLY H H 1 7.52 0.02 A 40 GLY HAy H 1 4.51 0.02 A 40 GLY HAx H 1 4.10 0.02 A 40 GLY C C 13 174.7 0.3 A 40 GLY CA C 13 45.1 0.3 A 40 GLY N N 15 109.4 0.3 A 41 ALA H H 1 8.61 0.02 A 41 ALA HA H 1 3.61 0.02 A 41 ALA HB% H 1 1.32 0.02 A 41 ALA C C 13 178.7 0.3 A 41 ALA CA C 13 54.5 0.3 A 41 ALA CB C 13 19.2 0.3 A 41 ALA N N 15 121.4 0.3 A 42 THR H H 1 8.18 0.02 A 42 THR HA H 1 4.14 0.02 A 42 THR HB H 1 3.71 0.02 A 42 THR C C 13 174.1 0.3 A 42 THR CA C 13 67.2 0.3 A 42 THR CB C 13 67.9 0.3 A 42 THR N N 15 113.6 0.3 A 43 ALA H H 1 7.46 0.02 A 43 ALA HA H 1 3.28 0.02 A 43 ALA HB% H 1 1.31 0.02 A 43 ALA C C 13 177.5 0.3 A 43 ALA CA C 13 54.5 0.3 A 43 ALA CB C 13 20.1 0.3 A 43 ALA N N 15 123.8 0.3 A 44 LEU H H 1 6.64 0.02 A 44 LEU HA H 1 4.10 0.02 A 44 LEU HBy H 1 1.61 0.02 A 44 LEU HBx H 1 1.13 0.02 A 44 LEU HD1% H 1 0.88 0.02 A 44 LEU HD2% H 1 0.77 0.02 A 44 LEU HG H 1 0.71 0.02 A 44 LEU C C 13 180.0 0.3 A 44 LEU CA C 13 56.5 0.3 A 44 LEU CB C 13 41.3 0.3 A 44 LEU CD1 C 13 23.0 0.3 A 44 LEU CD2 C 13 22.8 0.3 A 44 LEU CG C 13 26.2 0.3 A 44 LEU N N 15 112.5 0.3 A 45 TYR H H 1 7.60 0.02 A 45 TYR HA H 1 4.47 0.02 A 45 TYR HBy H 1 3.11 0.02 A 45 TYR HBx H 1 2.61 0.02 A 45 TYR C C 13 177.0 0.3 A 45 TYR CA C 13 59.4 0.3 A 45 TYR CB C 13 37.6 0.3 A 45 TYR N N 15 117.2 0.3 A 46 ASN H H 1 7.28 0.02 A 46 ASN HA H 1 3.90 0.02 A 46 ASN HBx H 1 1.98 0.02 A 46 ASN C C 13 174.4 0.3 A 46 ASN CA C 13 51.0 0.3 A 46 ASN CB C 13 38.2 0.3 A 46 ASN N N 15 116.6 0.3 A 47 TRP H H 1 5.87 0.02 A 47 TRP C C 13 174.1 0.3 A 47 TRP CA C 13 58.7 0.3 A 47 TRP CB C 13 27.8 0.3 A 47 TRP N N 15 117.9 0.3 A 48 PHE HA H 1 3.83 0.02 A 48 PHE CA C 13 60.5 0.3 A 49 ALA H H 1 7.94 0.02 A 49 ALA HA H 1 4.14 0.02 A 49 ALA HB% H 1 1.49 0.02 A 49 ALA C C 13 180.9 0.3 A 49 ALA CA C 13 54.7 0.3 A 49 ALA CB C 13 17.8 0.3 A 49 ALA N N 15 123.4 0.3 A 50 VAL H H 1 7.78 0.02 A 50 VAL CA C 13 57.5 0.3 A 50 VAL N N 15 121.6 0.3 A 53 SER HBy H 1 3.92 0.02 A 53 SER HBx H 1 3.71 0.02 A 53 SER C C 13 172.8 0.3 A 53 SER CA C 13 62.0 0.3 A 54 ASN H H 1 8.62 0.02 A 54 ASN HA H 1 4.90 0.02 A 54 ASN HBy H 1 2.89 0.02 A 54 ASN HBx H 1 2.46 0.02 A 54 ASN C C 13 175.7 0.3 A 54 ASN CA C 13 52.1 0.3 A 54 ASN CB C 13 41.2 0.3 A 54 ASN N N 15 115.7 0.3 A 55 ALA H H 1 7.03 0.02 A 55 ALA HA H 1 3.99 0.02 A 55 ALA HB% H 1 1.90 0.02 A 55 ALA C C 13 181.3 0.3 A 55 ALA CA C 13 56.7 0.3 A 55 ALA CB C 13 19.3 0.3 A 55 ALA N N 15 125.5 0.3 A 56 GLY H H 1 10.42 0.02 A 56 GLY HAy H 1 3.92 0.02 A 56 GLY HAx H 1 3.69 0.02 A 56 GLY C C 13 175.6 0.3 A 56 GLY CA C 13 47.2 0.3 A 56 GLY N N 15 106.8 0.3 A 57 GLY H H 1 8.43 0.02 A 57 GLY HAy H 1 4.26 0.02 A 57 GLY HAx H 1 3.56 0.02 A 57 GLY C C 13 174.0 0.3 A 57 GLY CA C 13 45.0 0.3 A 57 GLY N N 15 106.2 0.3 A 58 ARG H H 1 7.30 0.02 A 58 ARG HA H 1 4.02 0.02 A 58 ARG HBy H 1 1.47 0.02 A 58 ARG HBx H 1 1.12 0.02 A 58 ARG HGy H 1 0.79 0.02 A 58 ARG HGx H 1 0.71 0.02 A 58 ARG C C 13 174.8 0.3 A 58 ARG CA C 13 56.6 0.3 A 58 ARG CB C 13 31.0 0.3 A 58 ARG CG C 13 22.2 0.3 A 58 ARG N N 15 121.6 0.3 A 59 GLY H H 1 8.16 0.02 A 59 GLY HAy H 1 4.26 0.02 A 59 GLY HAx H 1 2.97 0.02 A 59 GLY C C 13 172.9 0.3 A 59 GLY CA C 13 46.9 0.3 A 59 GLY N N 15 108.4 0.3 A 60 ALA H H 1 7.84 0.02 A 60 ALA HA H 1 2.49 0.02 A 60 ALA HB% H 1 0.89 0.02 A 60 ALA C C 13 178.7 0.3 A 60 ALA CA C 13 53.4 0.3 A 60 ALA CB C 13 17.2 0.3 A 60 ALA N N 15 136.7 0.3 A 61 GLY H H 1 8.76 0.02 A 61 GLY HAy H 1 3.81 0.02 A 61 GLY HAx H 1 3.51 0.02 A 61 GLY C C 13 172.9 0.3 A 61 GLY CA C 13 45.3 0.3 A 61 GLY N N 15 115.7 0.3 A 62 TYR H H 1 7.90 0.02 A 62 TYR HA H 1 4.65 0.02 A 62 TYR HBy H 1 3.05 0.02 A 62 TYR HBx H 1 2.44 0.02 A 62 TYR C C 13 175.0 0.3 A 62 TYR CA C 13 58.6 0.3 A 62 TYR CB C 13 41.7 0.3 A 62 TYR N N 15 121.3 0.3 A 63 VAL H H 1 8.86 0.02 A 63 VAL C C 13 174.8 0.3 A 63 VAL CA C 13 60.2 0.3 A 63 VAL CB C 13 32.2 0.3 A 63 VAL N N 15 125.5 0.3 A 64 PRO HA H 1 4.27 0.02 A 64 PRO HBy H 1 2.36 0.02 A 64 PRO HBx H 1 2.09 0.02 A 64 PRO HDy H 1 3.29 0.02 A 64 PRO HDx H 1 3.15 0.02 A 64 PRO HG2 H 1 2.22 0.02 A 64 PRO C C 13 176.7 0.3 A 64 PRO CA C 13 63.6 0.3 A 64 PRO CB C 13 32.2 0.3 A 64 PRO CD C 13 49.9 0.3 A 64 PRO CG C 13 29.2 0.3 A 65 ASP H H 1 8.82 0.02 A 65 ASP HA H 1 4.34 0.02 A 65 ASP HBy H 1 2.63 0.02 A 65 ASP HBx H 1 2.62 0.02 A 65 ASP C C 13 176.4 0.3 A 65 ASP CA C 13 56.5 0.3 A 65 ASP CB C 13 40.1 0.3 A 65 ASP N N 15 125.8 0.3 A 66 GLY H H 1 8.41 0.02 A 66 GLY HAy H 1 4.24 0.02 A 66 GLY HAx H 1 3.96 0.02 A 66 GLY C C 13 175.0 0.3 A 66 GLY CA C 13 45.6 0.3 A 66 GLY N N 15 109.2 0.3 A 67 THR H H 1 7.57 0.02 A 67 THR HA H 1 4.78 0.02 A 67 THR HB H 1 3.93 0.02 A 67 THR HG2% H 1 0.87 0.02 A 67 THR C C 13 175.8 0.3 A 67 THR CA C 13 60.6 0.3 A 67 THR CB C 13 69.0 0.3 A 67 THR CG2 C 13 21.4 0.3 A 67 THR N N 15 107.5 0.3 A 68 LEU H H 1 8.23 0.02 A 68 LEU HA H 1 3.43 0.02 A 68 LEU HBy H 1 1.02 0.02 A 68 LEU HBx H 1 0.92 0.02 A 68 LEU HD1% H 1 0.27 0.02 A 68 LEU HD2% H 1 -1.74 0.02 A 68 LEU HG H 1 0.52 0.02 A 68 LEU C C 13 178.5 0.3 A 68 LEU CA C 13 61.9 0.3 A 68 LEU CB C 13 39.9 0.3 A 68 LEU CD1 C 13 23.8 0.3 A 68 LEU CD2 C 13 24.2 0.3 A 68 LEU CG C 13 32.6 0.3 A 68 LEU N N 15 128.5 0.3 A 69 CYS H H 1 7.13 0.02 A 69 CYS HA H 1 4.45 0.02 A 69 CYS HBy H 1 3.58 0.02 A 69 CYS HBx H 1 3.40 0.02 A 69 CYS C C 13 174.7 0.3 A 69 CYS CA C 13 53.5 0.3 A 69 CYS CB C 13 42.2 0.3 A 69 CYS N N 15 109.3 0.3 A 70 SER H H 1 7.64 0.02 A 70 SER HA H 1 4.70 0.02 A 70 SER HBy H 1 4.26 0.02 A 70 SER HBx H 1 3.77 0.02 A 70 SER C C 13 176.0 0.3 A 70 SER CA C 13 55.5 0.3 A 70 SER CB C 13 63.5 0.3 A 70 SER N N 15 111.2 0.3 A 71 ALA H H 1 7.84 0.02 A 71 ALA HA H 1 4.67 0.02 A 71 ALA HB% H 1 1.25 0.02 A 71 ALA C C 13 179.1 0.3 A 71 ALA CA C 13 52.7 0.3 A 71 ALA CB C 13 18.1 0.3 A 71 ALA N N 15 123.1 0.3 A 72 GLY H H 1 8.83 0.02 A 72 GLY HAy H 1 4.47 0.02 A 72 GLY HAx H 1 3.39 0.02 A 72 GLY C C 13 173.8 0.3 A 72 GLY CA C 13 46.1 0.3 A 72 GLY N N 15 109.3 0.3 A 73 ASP H H 1 7.67 0.02 A 73 ASP HA H 1 4.74 0.02 A 73 ASP HBy H 1 3.06 0.02 A 73 ASP HBx H 1 2.90 0.02 A 73 ASP C C 13 176.4 0.3 A 73 ASP CA C 13 56.1 0.3 A 73 ASP CB C 13 38.6 0.3 A 73 ASP N N 15 111.8 0.3 A 74 ARG H H 1 6.93 0.02 A 74 ARG HA H 1 4.55 0.02 A 74 ARG C C 13 176.1 0.3 A 74 ARG CA C 13 56.4 0.3 A 74 ARG CB C 13 30.1 0.3 A 74 ARG N N 15 114.9 0.3 A 75 SER H H 1 8.53 0.02 A 75 SER CA C 13 59.5 0.3 A 75 SER CB C 13 64.4 0.3 A 75 SER N N 15 121.8 0.3 A 76 PRO HA H 1 4.33 0.02 A 76 PRO HBy H 1 2.12 0.02 A 76 PRO HBx H 1 1.90 0.02 A 76 PRO C C 13 175.4 0.3 A 76 PRO CA C 13 63.6 0.3 A 76 PRO CB C 13 31.2 0.3 A 77 TYR H H 1 8.38 0.02 A 77 TYR HA H 1 4.70 0.02 A 77 TYR HBy H 1 2.38 0.02 A 77 TYR HBx H 1 2.13 0.02 A 77 TYR C C 13 173.2 0.3 A 77 TYR CA C 13 54.5 0.3 A 77 TYR CB C 13 39.9 0.3 A 77 TYR N N 15 117.4 0.3 A 78 ASP H H 1 8.44 0.02 A 78 ASP HA H 1 4.70 0.02 A 78 ASP HBy H 1 3.20 0.02 A 78 ASP HBx H 1 2.65 0.02 A 78 ASP C C 13 175.6 0.3 A 78 ASP CA C 13 53.5 0.3 A 78 ASP N N 15 119.2 0.3 A 79 PHE H H 1 8.92 0.02 A 79 PHE HA H 1 5.15 0.02 A 79 PHE HB2 H 1 3.73 0.02 A 79 PHE C C 13 177.4 0.3 A 79 PHE CA C 13 57.4 0.3 A 79 PHE CB C 13 40.8 0.3 A 79 PHE N N 15 123.3 0.3 A 80 SER H H 1 8.99 0.02 A 80 SER HA H 1 4.20 0.02 A 80 SER HB2 H 1 4.05 0.02 A 80 SER C C 13 175.0 0.3 A 80 SER CA C 13 59.1 0.3 A 80 SER CB C 13 62.6 0.3 A 80 SER N N 15 121.6 0.3 A 81 ALA H H 1 7.99 0.02 A 81 ALA HA H 1 4.12 0.02 A 81 ALA HB% H 1 1.23 0.02 A 81 ALA C C 13 179.0 0.3 A 81 ALA CA C 13 54.1 0.3 A 81 ALA CB C 13 19.9 0.3 A 81 ALA N N 15 122.8 0.3 A 82 TYR H H 1 8.33 0.02 A 82 TYR HA H 1 4.56 0.02 A 82 TYR HBy H 1 3.03 0.02 A 82 TYR HBx H 1 2.87 0.02 A 82 TYR C C 13 174.1 0.3 A 82 TYR CA C 13 59.3 0.3 A 82 TYR CB C 13 34.4 0.3 A 82 TYR N N 15 114.8 0.3 A 83 ASN H H 1 7.48 0.02 A 83 ASN HA H 1 4.46 0.02 A 83 ASN HBy H 1 3.06 0.02 A 83 ASN HBx H 1 2.67 0.02 A 83 ASN C C 13 176.1 0.3 A 83 ASN CA C 13 53.3 0.3 A 83 ASN CB C 13 41.1 0.3 A 83 ASN N N 15 114.3 0.3 A 84 ALA H H 1 7.43 0.02 A 84 ALA HA H 1 4.05 0.02 A 84 ALA HB% H 1 1.56 0.02 A 84 ALA C C 13 177.5 0.3 A 84 ALA CA C 13 54.9 0.3 A 84 ALA CB C 13 19.2 0.3 A 84 ALA N N 15 123.5 0.3 A 85 ALA H H 1 8.73 0.02 A 85 ALA HA H 1 4.84 0.02 A 85 ALA HB% H 1 1.08 0.02 A 85 ALA C C 13 175.4 0.3 A 85 ALA CA C 13 51.6 0.3 A 85 ALA CB C 13 16.2 0.3 A 85 ALA N N 15 130.6 0.3 A 86 ARG H H 1 7.56 0.02 A 86 ARG HA H 1 4.67 0.02 A 86 ARG HBy H 1 1.56 0.02 A 86 ARG HBx H 1 1.37 0.02 A 86 ARG HDy H 1 3.60 0.02 A 86 ARG HDx H 1 3.45 0.02 A 86 ARG C C 13 175.9 0.3 A 86 ARG CA C 13 53.5 0.3 A 86 ARG CB C 13 34.6 0.3 A 86 ARG N N 15 120.8 0.3 A 87 SER H H 1 9.03 0.02 A 87 SER HA H 1 3.58 0.02 A 87 SER HBy H 1 4.29 0.02 A 87 SER HBx H 1 4.09 0.02 A 87 SER C C 13 173.7 0.3 A 87 SER CA C 13 58.2 0.3 A 87 SER CB C 13 63.6 0.3 A 87 SER N N 15 115.1 0.3 A 88 ASP H H 1 8.21 0.02 A 88 ASP HA H 1 4.61 0.02 A 88 ASP HBy H 1 2.95 0.02 A 88 ASP HBx H 1 2.35 0.02 A 88 ASP C C 13 176.2 0.3 A 88 ASP CA C 13 52.7 0.3 A 88 ASP CB C 13 39.5 0.3 A 88 ASP N N 15 118.2 0.3 A 89 TRP H H 1 6.73 0.02 A 89 TRP C C 13 174.3 0.3 A 89 TRP CA C 13 57.2 0.3 A 89 TRP CB C 13 28.5 0.3 A 89 TRP N N 15 118.9 0.3 A 90 PRO HA H 1 4.41 0.02 A 90 PRO HBy H 1 2.38 0.02 A 90 PRO HBx H 1 1.90 0.02 A 90 PRO HD2 H 1 3.94 0.02 A 90 PRO HGy H 1 2.24 0.02 A 90 PRO HGx H 1 1.78 0.02 A 90 PRO C C 13 174.5 0.3 A 90 PRO CA C 13 63.7 0.3 A 90 PRO CB C 13 31.9 0.3 A 90 PRO CD C 13 50.7 0.3 A 90 PRO CG C 13 27.7 0.3 A 91 ARG H H 1 8.28 0.02 A 91 ARG HA H 1 4.99 0.02 A 91 ARG HBy H 1 1.36 0.02 A 91 ARG HBx H 1 1.05 0.02 A 91 ARG HD2 H 1 3.07 0.02 A 91 ARG HG2 H 1 0.90 0.02 A 91 ARG C C 13 174.9 0.3 A 91 ARG CA C 13 53.2 0.3 A 91 ARG CB C 13 33.7 0.3 A 91 ARG CD C 13 44.0 0.3 A 91 ARG CG C 13 26.7 0.3 A 91 ARG N N 15 116.3 0.3 A 92 THR H H 1 7.45 0.02 A 92 THR HA H 1 4.47 0.02 A 92 THR HB H 1 3.65 0.02 A 92 THR HG2% H 1 1.21 0.02 A 92 THR C C 13 174.0 0.3 A 92 THR CA C 13 62.1 0.3 A 92 THR CB C 13 69.6 0.3 A 92 THR CG2 C 13 21.4 0.3 A 92 THR N N 15 117.9 0.3 A 93 HIS H H 1 9.24 0.02 A 93 HIS HA H 1 4.71 0.02 A 93 HIS HBy H 1 3.47 0.02 A 93 HIS HBx H 1 3.07 0.02 A 93 HIS C C 13 173.4 0.3 A 93 HIS CA C 13 55.4 0.3 A 93 HIS CB C 13 27.8 0.3 A 93 HIS N N 15 128.2 0.3 A 94 LEU H H 1 8.96 0.02 A 94 LEU HA H 1 4.74 0.02 A 94 LEU HBy H 1 1.25 0.02 A 94 LEU HBx H 1 1.08 0.02 A 94 LEU HD1% H 1 0.39 0.02 A 94 LEU HD2% H 1 -0.25 0.02 A 94 LEU HG H 1 0.78 0.02 A 94 LEU C C 13 175.8 0.3 A 94 LEU CA C 13 52.9 0.3 A 94 LEU CB C 13 46.3 0.3 A 94 LEU CD1 C 13 25.4 0.3 A 94 LEU CD2 C 13 26.1 0.3 A 94 LEU CG C 13 23.6 0.3 A 94 LEU N N 15 123.6 0.3 A 95 THR H H 1 8.43 0.02 A 95 THR HA H 1 4.56 0.02 A 95 THR HB H 1 3.90 0.02 A 95 THR HG2% H 1 0.92 0.02 A 95 THR C C 13 174.0 0.3 A 95 THR CA C 13 61.7 0.3 A 95 THR CB C 13 69.4 0.3 A 95 THR CG2 C 13 20.7 0.3 A 95 THR N N 15 118.9 0.3 A 96 SER H H 1 9.19 0.02 A 96 SER HA H 1 3.86 0.02 A 96 SER HB2 H 1 3.75 0.02 A 96 SER C C 13 175.8 0.3 A 96 SER CA C 13 60.0 0.3 A 96 SER CB C 13 62.9 0.3 A 96 SER N N 15 121.8 0.3 A 97 GLY H H 1 6.86 0.02 A 97 GLY HAy H 1 4.21 0.02 A 97 GLY HAx H 1 3.68 0.02 A 97 GLY C C 13 173.1 0.3 A 97 GLY CA C 13 45.5 0.3 A 97 GLY N N 15 116.4 0.3 A 98 ALA H H 1 7.53 0.02 A 98 ALA HA H 1 4.52 0.02 A 98 ALA HB% H 1 1.41 0.02 A 98 ALA C C 13 176.4 0.3 A 98 ALA CA C 13 51.4 0.3 A 98 ALA CB C 13 20.5 0.3 A 98 ALA N N 15 123.3 0.3 A 99 THR H H 1 8.46 0.02 A 99 THR HA H 1 5.23 0.02 A 99 THR HB H 1 3.93 0.02 A 99 THR HG2% H 1 0.93 0.02 A 99 THR C C 13 175.2 0.3 A 99 THR CA C 13 61.9 0.3 A 99 THR CB C 13 68.7 0.3 A 99 THR CG2 C 13 21.2 0.3 A 99 THR N N 15 117.2 0.3 A 100 ILE H H 1 9.15 0.02 A 100 ILE C C 13 172.3 0.3 A 100 ILE CA C 13 57.0 0.3 A 100 ILE CB C 13 39.9 0.3 A 100 ILE N N 15 124.2 0.3 A 101 PRO HA H 1 4.95 0.02 A 101 PRO HBy H 1 2.12 0.02 A 101 PRO HBx H 1 1.93 0.02 A 101 PRO HDy H 1 3.75 0.02 A 101 PRO HDx H 1 3.46 0.02 A 101 PRO C C 13 175.1 0.3 A 101 PRO CA C 13 61.2 0.3 A 101 PRO CB C 13 29.4 0.3 A 101 PRO CD C 13 50.2 0.3 A 102 VAL H H 1 8.52 0.02 A 102 VAL HA H 1 3.80 0.02 A 102 VAL HB H 1 0.45 0.02 A 102 VAL HG1% H 1 -0.19 0.02 A 102 VAL C C 13 176.4 0.3 A 102 VAL CA C 13 61.7 0.3 A 102 VAL CB C 13 31.6 0.3 A 102 VAL CG1 C 13 20.8 0.3 A 102 VAL N N 15 126.4 0.3 A 103 GLU H H 1 8.41 0.02 A 103 GLU HA H 1 5.14 0.02 A 103 GLU HBy H 1 1.30 0.02 A 103 GLU HBx H 1 1.17 0.02 A 103 GLU HGy H 1 2.06 0.02 A 103 GLU HGx H 1 1.63 0.02 A 103 GLU C C 13 175.5 0.3 A 103 GLU CA C 13 53.1 0.3 A 103 GLU CB C 13 32.7 0.3 A 103 GLU CG C 13 33.8 0.3 A 103 GLU N N 15 119.8 0.3 A 104 TYR H H 1 8.72 0.02 A 104 TYR HA H 1 4.24 0.02 A 104 TYR HBy H 1 2.74 0.02 A 104 TYR HBx H 1 2.65 0.02 A 104 TYR C C 13 171.3 0.3 A 104 TYR CA C 13 56.9 0.3 A 104 TYR CB C 13 43.1 0.3 A 104 TYR N N 15 128.7 0.3 A 105 SER H H 1 7.49 0.02 A 105 SER C C 13 177.4 0.3 A 105 SER CA C 13 61.4 0.3 A 105 SER CB C 13 64.7 0.3 A 105 SER N N 15 123.2 0.3 A 107 TRP HA H 1 4.27 0.02 A 107 TRP HB2 H 1 2.60 0.02 A 107 TRP HB3 H 1 2.28 0.02 A 107 TRP C C 13 175.9 0.3 A 107 TRP CA C 13 56.3 0.3 A 108 ALA H H 1 8.35 0.02 A 108 ALA HA H 1 4.28 0.02 A 108 ALA HB% H 1 1.35 0.02 A 108 ALA C C 13 177.3 0.3 A 108 ALA CA C 13 52.3 0.3 A 108 ALA CB C 13 19.2 0.3 A 108 ALA N N 15 126.6 0.3 A 109 ALA H H 1 8.28 0.02 A 109 ALA HA H 1 4.28 0.02 A 109 ALA HB% H 1 1.36 0.02 A 109 ALA C C 13 177.8 0.3 A 109 ALA CA C 13 52.5 0.3 A 109 ALA CB C 13 18.9 0.3 A 109 ALA N N 15 124.5 0.3 A 110 HIS H H 1 8.34 0.02 A 110 HIS C C 13 176.3 0.3 A 110 HIS CA C 13 56.3 0.3 A 110 HIS CB C 13 30.1 0.3 A 110 HIS N N 15 120.8 0.3 A 111 PRO HA H 1 4.84 0.02 A 111 PRO HB2 H 1 2.02 0.02 A 111 PRO C C 13 176.3 0.3 A 111 PRO CA C 13 62.2 0.3 A 111 PRO CB C 13 31.4 0.3 A 112 GLY H H 1 8.68 0.02 A 112 GLY HAy H 1 4.48 0.02 A 112 GLY HAx H 1 3.39 0.02 A 112 GLY C C 13 170.9 0.3 A 112 GLY CA C 13 45.5 0.3 A 112 GLY N N 15 108.1 0.3 A 113 ASP H H 1 7.88 0.02 A 113 ASP HA H 1 5.41 0.02 A 113 ASP HB2 H 1 2.18 0.02 A 113 ASP C C 13 174.8 0.3 A 113 ASP CA C 13 51.7 0.3 A 113 ASP CB C 13 43.9 0.3 A 113 ASP N N 15 117.6 0.3 A 114 PHE H H 1 9.18 0.02 A 114 PHE C C 13 179.3 0.3 A 114 PHE CA C 13 57.4 0.3 A 114 PHE CB C 13 40.1 0.3 A 114 PHE N N 15 120.0 0.3 A 115 ARG HA H 1 4.68 0.02 A 115 ARG HBy H 1 2.08 0.02 A 115 ARG HBx H 1 1.74 0.02 A 115 ARG C C 13 174.6 0.3 A 115 ARG CA C 13 55.5 0.3 A 115 ARG CB C 13 32.7 0.3 A 116 VAL H H 1 9.09 0.02 A 116 VAL HA H 1 4.53 0.02 A 116 VAL HB H 1 2.32 0.02 A 116 VAL HG1% H 1 1.17 0.02 A 116 VAL HG2% H 1 1.02 0.02 A 116 VAL C C 13 173.7 0.3 A 116 VAL CA C 13 62.8 0.3 A 116 VAL CB C 13 32.4 0.3 A 116 VAL CG1 C 13 19.9 0.3 A 116 VAL CG2 C 13 21.9 0.3 A 116 VAL N N 15 124.4 0.3 A 117 TYR H H 1 10.15 0.02 A 117 TYR HA H 1 5.81 0.02 A 117 TYR HBy H 1 3.46 0.02 A 117 TYR HBx H 1 2.94 0.02 A 117 TYR C C 13 174.5 0.3 A 117 TYR CA C 13 55.5 0.3 A 117 TYR CB C 13 43.5 0.3 A 117 TYR N N 15 126.7 0.3 A 118 LEU H H 1 9.11 0.02 A 118 LEU HA H 1 5.48 0.02 A 118 LEU HBy H 1 1.90 0.02 A 118 LEU HBx H 1 1.33 0.02 A 118 LEU HD1% H 1 1.05 0.02 A 118 LEU HD2% H 1 0.96 0.02 A 118 LEU HG H 1 2.31 0.02 A 118 LEU C C 13 177.4 0.3 A 118 LEU CA C 13 52.7 0.3 A 118 LEU CB C 13 47.7 0.3 A 118 LEU CD1 C 13 23.5 0.3 A 118 LEU CD2 C 13 27.5 0.3 A 118 LEU CG C 13 26.7 0.3 A 118 LEU N N 15 123.2 0.3 A 119 THR H H 1 8.46 0.02 A 119 THR HA H 1 4.78 0.02 A 119 THR HB H 1 4.02 0.02 A 119 THR HG2% H 1 0.09 0.02 A 119 THR C C 13 175.6 0.3 A 119 THR CA C 13 61.8 0.3 A 119 THR CB C 13 69.9 0.3 A 119 THR CG2 C 13 22.7 0.3 A 119 THR N N 15 120.9 0.3 A 120 LYS H H 1 8.42 0.02 A 120 LYS C C 13 175.4 0.3 A 120 LYS CA C 13 55.5 0.3 A 120 LYS CB C 13 32.0 0.3 A 120 LYS N N 15 123.4 0.3 A 121 PRO HA H 1 4.43 0.02 A 121 PRO HBy H 1 2.38 0.02 A 121 PRO HBx H 1 1.98 0.02 A 121 PRO HDy H 1 3.88 0.02 A 121 PRO HDx H 1 3.80 0.02 A 121 PRO HGy H 1 2.24 0.02 A 121 PRO HGx H 1 1.79 0.02 A 121 PRO C C 13 177.5 0.3 A 121 PRO CA C 13 64.7 0.3 A 121 PRO CB C 13 31.4 0.3 A 121 PRO CD C 13 50.7 0.3 A 121 PRO CG C 13 27.5 0.3 A 122 GLY H H 1 9.14 0.02 A 122 GLY HAy H 1 4.28 0.02 A 122 GLY HAx H 1 3.76 0.02 A 122 GLY C C 13 174.2 0.3 A 122 GLY CA C 13 45.2 0.3 A 122 GLY N N 15 112.2 0.3 A 123 TRP H H 1 7.77 0.02 A 123 TRP HA H 1 4.49 0.02 A 123 TRP HBy H 1 3.52 0.02 A 123 TRP HBx H 1 3.32 0.02 A 123 TRP C C 13 175.6 0.3 A 123 TRP CA C 13 59.5 0.3 A 123 TRP CB C 13 28.9 0.3 A 123 TRP N N 15 123.4 0.3 A 124 SER H H 1 7.12 0.02 A 124 SER C C 13 171.6 0.3 A 124 SER CA C 13 53.9 0.3 A 124 SER CB C 13 64.8 0.3 A 124 SER N N 15 123.1 0.3 A 125 PRO HA H 1 3.94 0.02 A 125 PRO HBy H 1 2.34 0.02 A 125 PRO HBx H 1 2.05 0.02 A 125 PRO HD2 H 1 3.12 0.02 A 125 PRO HGy H 1 2.24 0.02 A 125 PRO HGx H 1 1.63 0.02 A 125 PRO C C 13 176.0 0.3 A 125 PRO CA C 13 63.8 0.3 A 125 PRO CB C 13 31.1 0.3 A 125 PRO CD C 13 51.0 0.3 A 125 PRO CG C 13 27.1 0.3 A 126 THR H H 1 6.69 0.02 A 126 THR HA H 1 4.15 0.02 A 126 THR HB H 1 3.70 0.02 A 126 THR HG2% H 1 1.02 0.02 A 126 THR C C 13 174.9 0.3 A 126 THR CA C 13 61.6 0.3 A 126 THR CB C 13 67.5 0.3 A 126 THR CG2 C 13 21.5 0.3 A 126 THR N N 15 105.4 0.3 A 127 SER H H 1 7.87 0.02 A 127 SER HA H 1 4.54 0.02 A 127 SER HBy H 1 3.87 0.02 A 127 SER HBx H 1 3.60 0.02 A 127 SER C C 13 172.3 0.3 A 127 SER CA C 13 57.1 0.3 A 127 SER CB C 13 64.3 0.3 A 127 SER N N 15 121.1 0.3 A 128 GLU H H 1 8.49 0.02 A 128 GLU HA H 1 4.10 0.02 A 128 GLU HBy H 1 2.01 0.02 A 128 GLU HBx H 1 1.93 0.02 A 128 GLU HGy H 1 2.30 0.02 A 128 GLU HGx H 1 2.20 0.02 A 128 GLU C C 13 175.8 0.3 A 128 GLU CA C 13 56.9 0.3 A 128 GLU CB C 13 29.9 0.3 A 128 GLU CG C 13 35.5 0.3 A 128 GLU N N 15 121.7 0.3 A 129 LEU H H 1 8.83 0.02 A 129 LEU HA H 1 4.62 0.02 A 129 LEU HBy H 1 1.89 0.02 A 129 LEU HBx H 1 1.41 0.02 A 129 LEU HD1% H 1 0.27 0.02 A 129 LEU HD2% H 1 0.15 0.02 A 129 LEU HG H 1 0.56 0.02 A 129 LEU C C 13 174.1 0.3 A 129 LEU CA C 13 54.2 0.3 A 129 LEU CB C 13 42.1 0.3 A 129 LEU CD1 C 13 18.1 0.3 A 129 LEU CD2 C 13 18.2 0.3 A 129 LEU CG C 13 27.4 0.3 A 129 LEU N N 15 128.0 0.3 A 130 GLY H H 1 9.25 0.02 A 130 GLY HAy H 1 4.43 0.02 A 130 GLY HAx H 1 3.58 0.02 A 130 GLY C C 13 177.1 0.3 A 130 GLY CA C 13 42.4 0.3 A 130 GLY N N 15 118.4 0.3 A 131 TRP H H 1 8.25 0.02 A 131 TRP HA H 1 3.81 0.02 A 131 TRP HBy H 1 3.36 0.02 A 131 TRP HBx H 1 3.10 0.02 A 131 TRP C C 13 179.8 0.3 A 131 TRP CA C 13 61.4 0.3 A 131 TRP CB C 13 28.6 0.3 A 131 TRP N N 15 121.4 0.3 A 132 ASP H H 1 9.16 0.02 A 132 ASP HA H 1 4.70 0.02 A 132 ASP HBy H 1 2.76 0.02 A 132 ASP HBx H 1 2.63 0.02 A 132 ASP C C 13 176.5 0.3 A 132 ASP CA C 13 55.9 0.3 A 132 ASP CB C 13 40.3 0.3 A 132 ASP N N 15 117.2 0.3 A 133 ASP H H 1 7.66 0.02 A 133 ASP HA H 1 4.72 0.02 A 133 ASP HBy H 1 2.53 0.02 A 133 ASP HBx H 1 2.23 0.02 A 133 ASP C C 13 174.7 0.3 A 133 ASP CA C 13 55.1 0.3 A 133 ASP CB C 13 42.4 0.3 A 133 ASP N N 15 116.6 0.3 A 134 LEU H H 1 7.34 0.02 A 134 LEU HA H 1 4.52 0.02 A 134 LEU HBy H 1 1.95 0.02 A 134 LEU HBx H 1 1.32 0.02 A 134 LEU HD1% H 1 0.45 0.02 A 134 LEU HD2% H 1 -0.24 0.02 A 134 LEU HG H 1 1.13 0.02 A 134 LEU C C 13 176.0 0.3 A 134 LEU CA C 13 54.0 0.3 A 134 LEU CB C 13 46.0 0.3 A 134 LEU CD1 C 13 23.4 0.3 A 134 LEU CD2 C 13 26.5 0.3 A 134 LEU CG C 13 28.3 0.3 A 134 LEU N N 15 118.8 0.3 A 135 GLU H H 1 8.31 0.02 A 135 GLU HA H 1 4.81 0.02 A 135 GLU HBy H 1 2.13 0.02 A 135 GLU HBx H 1 2.00 0.02 A 135 GLU HGy H 1 2.25 0.02 A 135 GLU HGx H 1 2.16 0.02 A 135 GLU C C 13 175.4 0.3 A 135 GLU CA C 13 54.4 0.3 A 135 GLU CB C 13 33.0 0.3 A 135 GLU CG C 13 36.7 0.3 A 135 GLU N N 15 120.0 0.3 A 136 LEU H H 1 9.01 0.02 A 136 LEU HA H 1 3.94 0.02 A 136 LEU HBy H 1 1.78 0.02 A 136 LEU HBx H 1 1.25 0.02 A 136 LEU HD1% H 1 0.70 0.02 A 136 LEU HD2% H 1 0.17 0.02 A 136 LEU HG H 1 1.03 0.02 A 136 LEU C C 13 177.0 0.3 A 136 LEU CA C 13 56.0 0.3 A 136 LEU CB C 13 41.3 0.3 A 136 LEU CD1 C 13 21.1 0.3 A 136 LEU CD2 C 13 21.7 0.3 A 136 LEU CG C 13 26.7 0.3 A 136 LEU N N 15 129.1 0.3 A 137 ILE H H 1 9.39 0.02 A 137 ILE HA H 1 4.71 0.02 A 137 ILE HB H 1 2.10 0.02 A 137 ILE HD1% H 1 0.92 0.02 A 137 ILE HG1y H 1 1.28 0.02 A 137 ILE HG1x H 1 1.14 0.02 A 137 ILE HG2% H 1 0.98 0.02 A 137 ILE C C 13 175.9 0.3 A 137 ILE CA C 13 61.2 0.3 A 137 ILE CB C 13 39.7 0.3 A 137 ILE CD1 C 13 14.3 0.3 A 137 ILE CG1 C 13 26.2 0.3 A 137 ILE CG2 C 13 17.9 0.3 A 137 ILE N N 15 124.1 0.3 A 138 GLN H H 1 7.83 0.02 A 138 GLN HA H 1 4.45 0.02 A 138 GLN HBy H 1 2.05 0.02 A 138 GLN HBx H 1 1.92 0.02 A 138 GLN HGy H 1 2.28 0.02 A 138 GLN HGx H 1 1.84 0.02 A 138 GLN C C 13 172.8 0.3 A 138 GLN CA C 13 56.5 0.3 A 138 GLN CB C 13 32.3 0.3 A 138 GLN CG C 13 34.9 0.3 A 138 GLN N N 15 122.6 0.3 A 139 THR H H 1 8.18 0.02 A 139 THR HA H 1 5.24 0.02 A 139 THR HB H 1 3.77 0.02 A 139 THR HG2% H 1 0.93 0.02 A 139 THR C C 13 173.8 0.3 A 139 THR CA C 13 61.9 0.3 A 139 THR CB C 13 70.3 0.3 A 139 THR CG2 C 13 20.8 0.3 A 139 THR N N 15 120.9 0.3 A 140 VAL H H 1 8.59 0.02 A 140 VAL HA H 1 4.19 0.02 A 140 VAL HB H 1 1.01 0.02 A 140 VAL HG1% H 1 0.05 0.02 A 140 VAL HG2% H 1 -0.34 0.02 A 140 VAL C C 13 174.3 0.3 A 140 VAL CA C 13 60.0 0.3 A 140 VAL CB C 13 34.4 0.3 A 140 VAL CG1 C 13 20.4 0.3 A 140 VAL CG2 C 13 18.7 0.3 A 140 VAL N N 15 125.8 0.3 A 141 THR H H 1 8.58 0.02 A 141 THR HA H 1 4.43 0.02 A 141 THR HB H 1 4.13 0.02 A 141 THR HG2% H 1 1.19 0.02 A 141 THR C C 13 173.9 0.3 A 141 THR CA C 13 61.4 0.3 A 141 THR CB C 13 70.7 0.3 A 141 THR CG2 C 13 21.4 0.3 A 141 THR N N 15 124.3 0.3 A 142 ASN H H 1 8.71 0.02 A 142 ASN C C 13 177.6 0.3 A 142 ASN CA C 13 54.8 0.3 A 142 ASN CB C 13 32.5 0.3 A 142 ASN N N 15 121.6 0.3 A 144 PRO HA H 1 4.50 0.02 A 144 PRO HBy H 1 2.14 0.02 A 144 PRO HBx H 1 1.80 0.02 A 144 PRO HDy H 1 3.89 0.02 A 144 PRO HDx H 1 3.65 0.02 A 144 PRO HGy H 1 2.24 0.02 A 144 PRO HGx H 1 1.93 0.02 A 144 PRO C C 13 174.1 0.3 A 144 PRO CA C 13 62.1 0.3 A 144 PRO CB C 13 32.4 0.3 A 144 PRO CD C 13 50.7 0.3 A 144 PRO CG C 13 27.5 0.3 A 145 GLN H H 1 8.06 0.02 A 145 GLN HA H 1 4.94 0.02 A 145 GLN HBy H 1 1.55 0.02 A 145 GLN HBx H 1 1.38 0.02 A 145 GLN HGy H 1 2.24 0.02 A 145 GLN HGx H 1 2.16 0.02 A 145 GLN C C 13 175.6 0.3 A 145 GLN CA C 13 54.1 0.3 A 145 GLN CB C 13 34.4 0.3 A 145 GLN CG C 13 36.5 0.3 A 145 GLN N N 15 112.9 0.3 A 146 GLN H H 1 9.04 0.02 A 146 GLN HA H 1 4.37 0.02 A 146 GLN HBy H 1 1.47 0.02 A 146 GLN HBx H 1 1.11 0.02 A 146 GLN HGy H 1 2.14 0.02 A 146 GLN HGx H 1 2.00 0.02 A 146 GLN C C 13 174.6 0.3 A 146 GLN CA C 13 55.0 0.3 A 146 GLN CB C 13 30.7 0.3 A 146 GLN CG C 13 33.4 0.3 A 146 GLN N N 15 124.4 0.3 A 147 GLY H H 1 8.29 0.02 A 147 GLY HAy H 1 3.83 0.02 A 147 GLY HAx H 1 3.74 0.02 A 147 GLY C C 13 173.6 0.3 A 147 GLY CA C 13 43.5 0.3 A 147 GLY N N 15 115.4 0.3 A 148 SER H H 1 8.39 0.02 A 148 SER C C 13 171.8 0.3 A 148 SER CA C 13 57.5 0.3 A 148 SER CB C 13 62.7 0.3 A 148 SER N N 15 119.0 0.3 A 149 PRO HA H 1 4.23 0.02 A 149 PRO HB2 H 1 1.78 0.02 A 149 PRO HDy H 1 2.94 0.02 A 149 PRO HDx H 1 2.84 0.02 A 149 PRO C C 13 176.9 0.3 A 149 PRO CA C 13 56.3 0.3 A 149 PRO CB C 13 30.6 0.3 A 149 PRO CD C 13 46.6 0.3 A 150 GLY H H 1 8.38 0.02 A 150 GLY HAy H 1 4.23 0.02 A 150 GLY HAx H 1 3.52 0.02 A 150 GLY C C 13 173.7 0.3 A 150 GLY CA C 13 45.1 0.3 A 150 GLY N N 15 110.2 0.3 A 151 THR H H 1 7.56 0.02 A 151 THR HA H 1 4.57 0.02 A 151 THR HB H 1 4.18 0.02 A 151 THR HG2% H 1 1.11 0.02 A 151 THR C C 13 175.5 0.3 A 151 THR CA C 13 59.6 0.3 A 151 THR CB C 13 71.7 0.3 A 151 THR CG2 C 13 21.8 0.3 A 151 THR N N 15 109.7 0.3 A 152 ASP H H 1 9.11 0.02 A 152 ASP HA H 1 4.81 0.02 A 152 ASP HBy H 1 2.77 0.02 A 152 ASP HBx H 1 2.63 0.02 A 152 ASP C C 13 177.9 0.3 A 152 ASP CA C 13 56.5 0.3 A 152 ASP CB C 13 40.5 0.3 A 152 ASP N N 15 125.6 0.3 A 153 GLY H H 1 9.44 0.02 A 153 GLY HAy H 1 3.86 0.02 A 153 GLY HAx H 1 3.65 0.02 A 153 GLY C C 13 175.3 0.3 A 153 GLY CA C 13 45.1 0.3 A 153 GLY N N 15 112.3 0.3 A 154 GLY H H 1 8.09 0.02 A 154 GLY HAy H 1 3.86 0.02 A 154 GLY HAx H 1 3.74 0.02 A 154 GLY C C 13 174.2 0.3 A 154 GLY CA C 13 46.3 0.3 A 154 GLY N N 15 113.2 0.3 A 155 HIS H H 1 8.39 0.02 A 155 HIS HA H 1 5.10 0.02 A 155 HIS HBy H 1 3.54 0.02 A 155 HIS HBx H 1 3.43 0.02 A 155 HIS C C 13 174.4 0.3 A 155 HIS CA C 13 56.0 0.3 A 155 HIS CB C 13 29.1 0.3 A 155 HIS N N 15 115.3 0.3 A 156 TYR H H 1 9.58 0.02 A 156 TYR HA H 1 4.73 0.02 A 156 TYR HBy H 1 2.76 0.02 A 156 TYR HBx H 1 2.62 0.02 A 156 TYR C C 13 177.8 0.3 A 156 TYR CA C 13 58.7 0.3 A 156 TYR CB C 13 41.1 0.3 A 156 TYR N N 15 120.9 0.3 A 157 TYR H H 1 8.40 0.02 A 157 TYR HA H 1 5.71 0.02 A 157 TYR HBy H 1 3.40 0.02 A 157 TYR HBx H 1 2.71 0.02 A 157 TYR C C 13 173.1 0.3 A 157 TYR CA C 13 55.5 0.3 A 157 TYR CB C 13 42.4 0.3 A 157 TYR N N 15 118.9 0.3 A 158 TRP H H 1 7.70 0.02 A 158 TRP HA H 1 4.74 0.02 A 158 TRP HBy H 1 3.52 0.02 A 158 TRP HBx H 1 3.04 0.02 A 158 TRP C C 13 172.4 0.3 A 158 TRP CA C 13 57.5 0.3 A 158 TRP CB C 13 29.6 0.3 A 158 TRP N N 15 117.2 0.3 A 159 ASP H H 1 8.25 0.02 A 159 ASP HA H 1 5.50 0.02 A 159 ASP HBy H 1 2.51 0.02 A 159 ASP HBx H 1 2.23 0.02 A 159 ASP C C 13 176.2 0.3 A 159 ASP CA C 13 53.5 0.3 A 159 ASP CB C 13 42.4 0.3 A 159 ASP N N 15 118.4 0.3 A 160 LEU H H 1 9.12 0.02 A 160 LEU HA H 1 4.75 0.02 A 160 LEU HBy H 1 1.66 0.02 A 160 LEU HBx H 1 1.55 0.02 A 160 LEU HD1% H 1 0.78 0.02 A 160 LEU HD2% H 1 -0.17 0.02 A 160 LEU HG H 1 0.40 0.02 A 160 LEU C C 13 173.6 0.3 A 160 LEU CA C 13 54.1 0.3 A 160 LEU CB C 13 45.8 0.3 A 160 LEU CD1 C 13 23.6 0.3 A 160 LEU CD2 C 13 18.0 0.3 A 160 LEU CG C 13 25.7 0.3 A 160 LEU N N 15 127.0 0.3 A 161 ALA H H 1 8.63 0.02 A 161 ALA HA H 1 4.63 0.02 A 161 ALA HB% H 1 1.26 0.02 A 161 ALA C C 13 176.1 0.3 A 161 ALA CA C 13 51.4 0.3 A 161 ALA CB C 13 17.9 0.3 A 161 ALA N N 15 132.3 0.3 A 162 LEU H H 1 8.64 0.02 A 162 LEU C C 13 175.1 0.3 A 162 LEU CA C 13 52.0 0.3 A 162 LEU CB C 13 41.7 0.3 A 162 LEU N N 15 126.6 0.3 A 163 PRO HA H 1 4.38 0.02 A 163 PRO HBy H 1 2.36 0.02 A 163 PRO HBx H 1 1.69 0.02 A 163 PRO C C 13 177.2 0.3 A 163 PRO CA C 13 62.8 0.3 A 163 PRO CB C 13 31.9 0.3 A 164 SER H H 1 8.42 0.02 A 164 SER HA H 1 4.26 0.02 A 164 SER HBy H 1 3.82 0.02 A 164 SER HBx H 1 3.58 0.02 A 164 SER C C 13 174.4 0.3 A 164 SER CA C 13 58.3 0.3 A 164 SER CB C 13 64.1 0.3 A 164 SER N N 15 117.9 0.3 A 165 GLY H H 1 8.58 0.02 A 165 GLY HAy H 1 3.87 0.02 A 165 GLY HAx H 1 3.69 0.02 A 165 GLY C C 13 175.0 0.3 A 165 GLY CA C 13 46.1 0.3 A 165 GLY N N 15 108.8 0.3 A 166 ARG H H 1 7.94 0.02 A 166 ARG HA H 1 4.51 0.02 A 166 ARG HBy H 1 1.04 0.02 A 166 ARG HBx H 1 0.45 0.02 A 166 ARG HD2 H 1 3.74 0.02 A 166 ARG HGy H 1 0.88 0.02 A 166 ARG HGx H 1 0.65 0.02 A 166 ARG C C 13 175.4 0.3 A 166 ARG CA C 13 51.3 0.3 A 166 ARG CB C 13 29.7 0.3 A 166 ARG CD C 13 45.0 0.3 A 166 ARG CG C 13 26.3 0.3 A 166 ARG N N 15 117.6 0.3 A 167 SER H H 1 8.73 0.02 A 167 SER HA H 1 4.90 0.02 A 167 SER HBy H 1 3.81 0.02 A 167 SER HBx H 1 3.77 0.02 A 167 SER C C 13 174.5 0.3 A 167 SER CA C 13 57.7 0.3 A 167 SER CB C 13 65.6 0.3 A 167 SER N N 15 114.1 0.3 A 168 GLY H H 1 8.59 0.02 A 168 GLY HAy H 1 4.49 0.02 A 168 GLY HAx H 1 3.90 0.02 A 168 GLY C C 13 174.2 0.3 A 168 GLY CA C 13 45.1 0.3 A 168 GLY N N 15 111.1 0.3 A 169 ASP H H 1 8.48 0.02 A 169 ASP HA H 1 5.15 0.02 A 169 ASP HBy H 1 1.79 0.02 A 169 ASP HBx H 1 1.09 0.02 A 169 ASP C C 13 176.9 0.3 A 169 ASP CA C 13 55.6 0.3 A 169 ASP CB C 13 42.4 0.3 A 169 ASP N N 15 119.6 0.3 A 170 ALA H H 1 8.99 0.02 A 170 ALA HA H 1 4.71 0.02 A 170 ALA HB% H 1 1.46 0.02 A 170 ALA C C 13 175.0 0.3 A 170 ALA CA C 13 51.6 0.3 A 170 ALA CB C 13 23.5 0.3 A 170 ALA N N 15 122.2 0.3 A 171 LEU H H 1 8.89 0.02 A 171 LEU HA H 1 5.11 0.02 A 171 LEU HBy H 1 1.73 0.02 A 171 LEU HBx H 1 1.05 0.02 A 171 LEU HD1% H 1 0.90 0.02 A 171 LEU HD2% H 1 0.66 0.02 A 171 LEU HG H 1 1.47 0.02 A 171 LEU C C 13 174.6 0.3 A 171 LEU CA C 13 55.8 0.3 A 171 LEU CB C 13 45.7 0.3 A 171 LEU CD1 C 13 27.0 0.3 A 171 LEU CD2 C 13 26.0 0.3 A 171 LEU CG C 13 27.3 0.3 A 171 LEU N N 15 126.3 0.3 A 172 ILE H H 1 9.17 0.02 A 172 ILE HA H 1 5.17 0.02 A 172 ILE HB H 1 1.49 0.02 A 172 ILE HD1% H 1 0.68 0.02 A 172 ILE HG13 H 1 1.10 0.02 A 172 ILE HG2% H 1 0.89 0.02 A 172 ILE C C 13 174.8 0.3 A 172 ILE CA C 13 59.8 0.3 A 172 ILE CB C 13 40.0 0.3 A 172 ILE CD1 C 13 12.8 0.3 A 172 ILE CG1 C 13 28.4 0.3 A 172 ILE CG2 C 13 17.0 0.3 A 172 ILE N N 15 124.8 0.3 A 173 PHE H H 1 9.05 0.02 A 173 PHE HA H 1 5.82 0.02 A 173 PHE HBy H 1 2.78 0.02 A 173 PHE HBx H 1 2.48 0.02 A 173 PHE C C 13 173.7 0.3 A 173 PHE CA C 13 54.4 0.3 A 173 PHE CB C 13 42.6 0.3 A 173 PHE N N 15 135.2 0.3 A 174 MET H H 1 8.93 0.02 A 174 MET HA H 1 4.11 0.02 A 174 MET HBy H 1 2.09 0.02 A 174 MET HBx H 1 1.93 0.02 A 174 MET HE% H 1 1.93 0.02 A 174 MET HGy H 1 2.25 0.02 A 174 MET HGx H 1 2.16 0.02 A 174 MET C C 13 172.5 0.3 A 174 MET CA C 13 53.3 0.3 A 174 MET CB C 13 36.2 0.3 A 174 MET CE C 13 17.6 0.3 A 174 MET CG C 13 32.0 0.3 A 174 MET N N 15 124.6 0.3 A 175 GLN H H 1 8.75 0.02 A 175 GLN HA H 1 4.15 0.02 A 175 GLN HBy H 1 2.58 0.02 A 175 GLN HBx H 1 2.08 0.02 A 175 GLN C C 13 174.8 0.3 A 175 GLN CA C 13 55.3 0.3 A 175 GLN N N 15 123.4 0.3 A 176 TRP H H 1 8.41 0.02 A 176 TRP CA C 13 60.5 0.3 A 176 TRP CB C 13 32.4 0.3 A 176 TRP N N 15 120.1 0.3 A 178 ARG HA H 1 4.10 0.02 A 178 ARG HB2 H 1 2.04 0.02 A 178 ARG C C 13 176.8 0.3 A 178 ARG CA C 13 58.1 0.3 A 178 ARG CB C 13 29.0 0.3 A 179 SER H H 1 7.61 0.02 A 179 SER HA H 1 4.55 0.02 A 179 SER HB2 H 1 3.69 0.02 A 179 SER C C 13 178.7 0.3 A 179 SER CA C 13 57.8 0.3 A 179 SER CB C 13 63.8 0.3 A 179 SER N N 15 115.7 0.3 A 180 ASP H H 1 8.63 0.02 A 180 ASP C C 13 178.7 0.3 A 180 ASP CA C 13 56.1 0.3 A 180 ASP CB C 13 41.6 0.3 A 180 ASP N N 15 120.8 0.3 A 186 PHE H H 1 7.89 0.02 A 186 PHE HA H 1 4.81 0.02 A 186 PHE HBy H 1 2.82 0.02 A 186 PHE HBx H 1 2.40 0.02 A 186 PHE C C 13 174.3 0.3 A 186 PHE CA C 13 59.0 0.3 A 186 PHE CB C 13 41.3 0.3 A 186 PHE N N 15 121.7 0.3 A 187 SER H H 1 8.98 0.02 A 187 SER HA H 1 4.95 0.02 A 187 SER HBy H 1 4.51 0.02 A 187 SER HBx H 1 4.30 0.02 A 187 SER C C 13 174.4 0.3 A 187 SER CA C 13 57.3 0.3 A 187 SER CB C 13 65.5 0.3 A 187 SER N N 15 116.2 0.3 A 188 CYS H H 1 7.98 0.02 A 188 CYS HA H 1 5.12 0.02 A 188 CYS HBy H 1 3.13 0.02 A 188 CYS HBx H 1 2.93 0.02 A 188 CYS C C 13 171.9 0.3 A 188 CYS CA C 13 54.4 0.3 A 188 CYS CB C 13 44.6 0.3 A 188 CYS N N 15 127.4 0.3 A 189 SER H H 1 9.26 0.02 A 189 SER HA H 1 5.31 0.02 A 189 SER HBy H 1 3.61 0.02 A 189 SER HBx H 1 3.51 0.02 A 189 SER C C 13 172.1 0.3 A 189 SER CA C 13 56.1 0.3 A 189 SER CB C 13 63.9 0.3 A 189 SER N N 15 118.8 0.3 A 190 ASP H H 1 10.33 0.02 A 190 ASP HA H 1 4.76 0.02 A 190 ASP HBy H 1 3.05 0.02 A 190 ASP HBx H 1 2.42 0.02 A 190 ASP C C 13 176.3 0.3 A 190 ASP CA C 13 56.5 0.3 A 190 ASP CB C 13 41.3 0.3 A 190 ASP N N 15 129.8 0.3 A 191 VAL H H 1 8.64 0.02 A 191 VAL HA H 1 5.31 0.02 A 191 VAL HB H 1 1.71 0.02 A 191 VAL HG1% H 1 0.59 0.02 A 191 VAL HG2% H 1 0.15 0.02 A 191 VAL C C 13 173.4 0.3 A 191 VAL CA C 13 58.5 0.3 A 191 VAL CB C 13 36.4 0.3 A 191 VAL CG1 C 13 21.2 0.3 A 191 VAL CG2 C 13 18.2 0.3 A 191 VAL N N 15 116.5 0.3 A 192 VAL H H 1 7.92 0.02 A 192 VAL HA H 1 4.65 0.02 A 192 VAL HB H 1 1.94 0.02 A 192 VAL HG1% H 1 0.69 0.02 A 192 VAL HG2% H 1 0.27 0.02 A 192 VAL C C 13 173.0 0.3 A 192 VAL CA C 13 59.1 0.3 A 192 VAL CB C 13 33.5 0.3 A 192 VAL CG1 C 13 21.0 0.3 A 192 VAL CG2 C 13 18.0 0.3 A 192 VAL N N 15 118.9 0.3 A 193 PHE H H 1 8.74 0.02 A 193 PHE HA H 1 5.17 0.02 A 193 PHE HBy H 1 2.97 0.02 A 193 PHE HBx H 1 2.73 0.02 A 193 PHE C C 13 175.8 0.3 A 193 PHE CA C 13 56.7 0.3 A 193 PHE CB C 13 39.0 0.3 A 193 PHE N N 15 127.6 0.3 A 194 ASP H H 1 8.68 0.02 A 194 ASP HA H 1 4.90 0.02 A 194 ASP HBy H 1 2.95 0.02 A 194 ASP HBx H 1 2.71 0.02 A 194 ASP C C 13 176.7 0.3 A 194 ASP CA C 13 53.1 0.3 A 194 ASP CB C 13 41.3 0.3 A 194 ASP N N 15 124.8 0.3 A 195 GLY H H 1 8.57 0.02 A 195 GLY HAy H 1 4.08 0.02 A 195 GLY HAx H 1 3.82 0.02 A 195 GLY C C 13 174.0 0.3 A 195 GLY CA C 13 45.6 0.3 A 195 GLY N N 15 109.9 0.3 A 196 GLY H H 1 8.03 0.02 A 196 GLY C C 13 179.0 0.3 A 196 GLY CA C 13 45.9 0.3 A 196 GLY N N 15 115.7 0.3 stop_ save_ save_assigned_chem_shift_list_cbm2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_cbm2 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 THR H H 1 7.89 0.02 A 2 THR HA H 1 4.73 0.02 A 2 THR HB H 1 4.12 0.02 A 2 THR HG2% H 1 0.77 0.02 A 2 THR C C 13 174.97 0.3 A 2 THR CA C 13 61.87 0.3 A 2 THR CB C 13 69.67 0.3 A 2 THR N N 15 127.4 0.3 A 3 GLY H H 1 8.45 0.02 A 3 GLY HAy H 1 4.06 0.02 A 3 GLY HAx H 1 3.83 0.02 A 3 GLY C C 13 173.87 0.3 A 3 GLY CA C 13 45.37 0.3 A 3 GLY N N 15 111.6 0.3 A 4 SER H H 1 8.37 0.02 A 4 SER HA H 1 4.48 0.02 A 4 SER HBy H 1 3.84 0.02 A 4 SER HBx H 1 3.78 0.02 A 4 SER CA C 13 58.57 0.3 A 4 SER CB C 13 63.67 0.3 A 4 SER N N 15 115.3 0.3 A 5 CYS H H 1 8.4 0.02 A 5 CYS HA H 1 5.27 0.02 A 5 CYS HBy H 1 3.14 0.02 A 5 CYS HBx H 1 2.9 0.02 A 5 CYS C C 13 173.87 0.3 A 5 CYS CA C 13 54.17 0.3 A 5 CYS N N 15 118.6 0.3 A 6 MET H H 1 8.68 0.02 A 6 MET HA H 1 4.68 0.02 A 6 MET HB2 H 1 2.32 0.02 A 6 MET HE% H 1 1.83 0.02 A 6 MET HG2 H 1 2.18 0.02 A 6 MET C C 13 176.27 0.3 A 6 MET CA C 13 54.37 0.3 A 6 MET CB C 13 30.97 0.3 A 6 MET CG C 13 32.27 0.3 A 6 MET N N 15 125.3 0.3 A 7 ALA H H 1 8.73 0.02 A 7 ALA HA H 1 5.53 0.02 A 7 ALA HB% H 1 0.98 0.02 A 7 ALA C C 13 175.77 0.3 A 7 ALA CA C 13 49.47 0.3 A 7 ALA CB C 13 22.57 0.3 A 7 ALA N N 15 125.5 0.3 A 8 VAL H H 1 8.71 0.02 A 8 VAL HA H 1 4.11 0.02 A 8 VAL HB H 1 1.86 0.02 A 8 VAL HG1% H 1 0.79 0.02 A 8 VAL HG2% H 1 0.57 0.02 A 8 VAL C C 13 174.97 0.3 A 8 VAL CA C 13 61.77 0.3 A 8 VAL CB C 13 34.57 0.3 A 8 VAL CG1 C 13 21.07 0.3 A 8 VAL CG2 C 13 23.17 0.3 A 8 VAL N N 15 120.6 0.3 A 9 TYR H H 1 9.09 0.02 A 9 TYR HA H 1 4.46 0.02 A 9 TYR HBy H 1 3.16 0.02 A 9 TYR HBx H 1 3.03 0.02 A 9 TYR HD1 H 1 6.2 0.02 A 9 TYR HE1 H 1 6.13 0.02 A 9 TYR C C 13 174.37 0.3 A 9 TYR CA C 13 57.27 0.3 A 9 TYR CB C 13 43.17 0.3 A 9 TYR CD1 C 13 133.27 0.3 A 9 TYR CE1 C 13 117.97 0.3 A 9 TYR N N 15 133.5 0.3 A 10 SER H H 1 8.79 0.02 A 10 SER HA H 1 4.76 0.02 A 10 SER HBy H 1 3.51 0.02 A 10 SER HBx H 1 3.49 0.02 A 10 SER CA C 13 57.47 0.3 A 10 SER CB C 13 63.07 0.3 A 10 SER N N 15 115.1 0.3 A 11 VAL H H 1 8.45 0.02 A 11 VAL HA H 1 3.81 0.02 A 11 VAL HB H 1 1.71 0.02 A 11 VAL HG1% H 1 0.57 0.02 A 11 VAL HG2% H 1 0.04 0.02 A 11 VAL C C 13 176.27 0.3 A 11 VAL CA C 13 62.67 0.3 A 11 VAL CB C 13 31.97 0.3 A 11 VAL CG1 C 13 21.47 0.3 A 11 VAL CG2 C 13 22.97 0.3 A 11 VAL N N 15 122.6 0.3 A 12 GLU H H 1 8.61 0.02 A 12 GLU HA H 1 4.12 0.02 A 12 GLU HB2 H 1 1.63 0.02 A 12 GLU HGy H 1 1.98 0.02 A 12 GLU HGx H 1 1.87 0.02 A 12 GLU C C 13 176.47 0.3 A 12 GLU CA C 13 57.67 0.3 A 12 GLU CB C 13 31.17 0.3 A 12 GLU N N 15 128.1 0.3 A 13 ASN H H 1 7.61 0.02 A 13 ASN HA H 1 4.91 0.02 A 13 ASN HBy H 1 2.86 0.02 A 13 ASN HBx H 1 2.77 0.02 A 13 ASN HD21 H 1 8.08 0.02 A 13 ASN HD22 H 1 6.75 0.02 A 13 ASN C C 13 172.67 0.3 A 13 ASN CA C 13 52.87 0.3 A 13 ASN CB C 13 41.97 0.3 A 13 ASN N N 15 113.6 0.3 A 13 ASN ND2 N 15 115.2 0.3 A 14 SER H H 1 8.54 0.02 A 14 SER HA H 1 4.43 0.02 A 14 SER HBy H 1 3.62 0.02 A 14 SER HBx H 1 3.52 0.02 A 14 SER C C 13 171.87 0.3 A 14 SER CA C 13 57.47 0.3 A 14 SER CB C 13 65.17 0.3 A 14 SER N N 15 117 0.3 A 15 TRP H H 1 8.19 0.02 A 15 TRP HA H 1 4.94 0.02 A 15 TRP HBy H 1 3.6 0.02 A 15 TRP HBx H 1 3.44 0.02 A 15 TRP HZ2 H 1 7.32 0.02 A 15 TRP C C 13 174.87 0.3 A 15 TRP CA C 13 55.97 0.3 A 15 TRP CZ2 C 13 114.57 0.3 A 15 TRP N N 15 122.4 0.3 A 16 SER H H 1 8.63 0.02 A 16 SER HA H 1 4.3 0.02 A 16 SER HBy H 1 3.97 0.02 A 16 SER HBx H 1 3.86 0.02 A 16 SER CA C 13 59.37 0.3 A 16 SER CB C 13 61.87 0.3 A 16 SER N N 15 113.5 0.3 A 17 GLY H H 1 8.9 0.02 A 17 GLY HAy H 1 4.62 0.02 A 17 GLY HAx H 1 4.03 0.02 A 17 GLY C C 13 176.07 0.3 A 17 GLY CA C 13 44.87 0.3 A 17 GLY N N 15 119.2 0.3 A 18 GLY H H 1 7.39 0.02 A 18 GLY HAy H 1 4.15 0.02 A 18 GLY HAx H 1 3.91 0.02 A 18 GLY C C 13 168.87 0.3 A 18 GLY CA C 13 47.07 0.3 A 18 GLY N N 15 111.2 0.3 A 19 PHE H H 1 7.59 0.02 A 19 PHE HA H 1 3.47 0.02 A 19 PHE HD1 H 1 6.44 0.02 A 19 PHE HE1 H 1 7.08 0.02 A 19 PHE HZ H 1 6.76 0.02 A 19 PHE C C 13 171.07 0.3 A 19 PHE CA C 13 56.47 0.3 A 19 PHE CD1 C 13 132.57 0.3 A 19 PHE N N 15 112.7 0.3 A 20 GLN H H 1 8.59 0.02 A 20 GLN HA H 1 4.98 0.02 A 20 GLN HBy H 1 1.98 0.02 A 20 GLN HBx H 1 1.43 0.02 A 20 GLN HE21 H 1 7.71 0.02 A 20 GLN HE22 H 1 6.96 0.02 A 20 GLN HGy H 1 2.43 0.02 A 20 GLN HGx H 1 2.24 0.02 A 20 GLN C C 13 175.27 0.3 A 20 GLN CA C 13 53.87 0.3 A 20 GLN N N 15 118.6 0.3 A 20 GLN NE2 N 15 113 0.3 A 21 GLY H H 1 8.07 0.02 A 21 GLY HA2 H 1 4.51 0.02 A 21 GLY C C 13 171.57 0.3 A 21 GLY CA C 13 42.77 0.3 A 21 GLY N N 15 114.5 0.3 A 22 SER H H 1 8.39 0.02 A 22 SER HA H 1 4.62 0.02 A 22 SER HBy H 1 3.37 0.02 A 22 SER HBx H 1 3.29 0.02 A 22 SER C C 13 171.87 0.3 A 22 SER CA C 13 56.57 0.3 A 22 SER CB C 13 63.67 0.3 A 22 SER N N 15 115 0.3 A 23 VAL H H 1 8.18 0.02 A 23 VAL HA H 1 4.45 0.02 A 23 VAL HB H 1 -0.15 0.02 A 23 VAL HG1% H 1 0.36 0.02 A 23 VAL C C 13 172.77 0.3 A 23 VAL CA C 13 59.17 0.3 A 23 VAL CB C 13 33.77 0.3 A 23 VAL CG1 C 13 18.67 0.3 A 23 VAL CG2 C 13 22.37 0.3 A 23 VAL N N 15 123.5 0.3 A 24 GLU H H 1 8.14 0.02 A 24 GLU HA H 1 4.59 0.02 A 24 GLU HBx H 1 1.54 0.02 A 24 GLU HGy H 1 1.9 0.02 A 24 GLU HGx H 1 1.74 0.02 A 24 GLU C C 13 174.47 0.3 A 24 GLU CA C 13 53.77 0.3 A 24 GLU N N 15 126.9 0.3 A 25 VAL H H 1 9.11 0.02 A 25 VAL HA H 1 3.89 0.02 A 25 VAL HB H 1 1.21 0.02 A 25 VAL HG1% H 1 -0.01 0.02 A 25 VAL HG2% H 1 -0.07 0.02 A 25 VAL C C 13 174.67 0.3 A 25 VAL CA C 13 62.67 0.3 A 25 VAL CB C 13 31.47 0.3 A 25 VAL CG1 C 13 19.67 0.3 A 25 VAL CG2 C 13 19.77 0.3 A 25 VAL N N 15 129.3 0.3 A 26 MET H H 1 8.97 0.02 A 26 MET HA H 1 4.56 0.02 A 26 MET HB2 H 1 2.18 0.02 A 26 MET HE% H 1 1.52 0.02 A 26 MET C C 13 174.77 0.3 A 26 MET CA C 13 54.07 0.3 A 26 MET CE C 13 17.27 0.3 A 26 MET N N 15 122.8 0.3 A 27 ASN H H 1 7.98 0.02 A 27 ASN HA H 1 4.93 0.02 A 27 ASN HBy H 1 3.37 0.02 A 27 ASN HBx H 1 2.6 0.02 A 27 ASN HD21 H 1 7.73 0.02 A 27 ASN HD22 H 1 6.56 0.02 A 27 ASN C C 13 175.57 0.3 A 27 ASN CA C 13 50.67 0.3 A 27 ASN CB C 13 37.17 0.3 A 27 ASN N N 15 117.3 0.3 A 27 ASN ND2 N 15 111.7 0.3 A 28 HIS H H 1 8.75 0.02 A 28 HIS HA H 1 5.13 0.02 A 28 HIS HBy H 1 3.42 0.02 A 28 HIS HBx H 1 2.91 0.02 A 28 HIS CA C 13 53.97 0.3 A 28 HIS CB C 13 29.47 0.3 A 28 HIS N N 15 123.5 0.3 A 29 GLY H H 1 8.29 0.02 A 29 GLY HAy H 1 4.51 0.02 A 29 GLY HAx H 1 4.03 0.02 A 29 GLY C C 13 173.37 0.3 A 29 GLY CA C 13 43.97 0.3 A 29 GLY N N 15 109 0.3 A 30 THR H H 1 8.1 0.02 A 30 THR HA H 1 4.24 0.02 A 30 THR HB H 1 4.21 0.02 A 30 THR HG2% H 1 1.17 0.02 A 30 THR C C 13 174.67 0.3 A 30 THR CA C 13 61.97 0.3 A 30 THR CB C 13 69.77 0.3 A 30 THR CG2 C 13 19.27 0.3 A 30 THR N N 15 105.9 0.3 A 31 GLU H H 1 7.6 0.02 A 31 GLU HA H 1 4.83 0.02 A 31 GLU HBx H 1 1.45 0.02 A 31 GLU HGy H 1 2.2 0.02 A 31 GLU HGx H 1 2.03 0.02 A 31 GLU C C 13 174.17 0.3 A 31 GLU CA C 13 52.77 0.3 A 31 GLU CB C 13 27.77 0.3 A 31 GLU N N 15 120.3 0.3 A 32 PRO HA H 1 4.12 0.02 A 32 PRO HBy H 1 2.03 0.02 A 32 PRO HBx H 1 1.97 0.02 A 32 PRO HDy H 1 3.73 0.02 A 32 PRO HDx H 1 3.55 0.02 A 32 PRO HG2 H 1 1.27 0.02 A 32 PRO C C 13 176.07 0.3 A 32 PRO CA C 13 62.87 0.3 A 32 PRO CB C 13 36.47 0.3 A 32 PRO CD C 13 50.57 0.3 A 33 LEU H H 1 8.35 0.02 A 33 LEU HA H 1 4.43 0.02 A 33 LEU HBy H 1 1.86 0.02 A 33 LEU HBx H 1 1.53 0.02 A 33 LEU HD1% H 1 0.73 0.02 A 33 LEU HG H 1 1.87 0.02 A 33 LEU C C 13 175.77 0.3 A 33 LEU CA C 13 54.27 0.3 A 33 LEU CB C 13 41.67 0.3 A 33 LEU CD1 C 13 24.67 0.3 A 33 LEU CG C 13 27.27 0.3 A 33 LEU N N 15 123 0.3 A 34 ASN H H 1 8.81 0.02 A 34 ASN HA H 1 4.81 0.02 A 34 ASN HBy H 1 2.74 0.02 A 34 ASN HBx H 1 2.43 0.02 A 34 ASN HD21 H 1 7.31 0.02 A 34 ASN HD22 H 1 6.63 0.02 A 34 ASN C C 13 174.77 0.3 A 34 ASN CA C 13 51.57 0.3 A 34 ASN CB C 13 37.97 0.3 A 34 ASN N N 15 123.5 0.3 A 34 ASN ND2 N 15 110.7 0.3 A 35 GLY H H 1 8.25 0.02 A 35 GLY HAy H 1 4.11 0.02 A 35 GLY HAx H 1 3.31 0.02 A 35 GLY CA C 13 43.97 0.3 A 35 GLY N N 15 113.5 0.3 A 36 TRP H H 1 7.69 0.02 A 36 TRP HA H 1 4.9 0.02 A 36 TRP HH2 H 1 6.75 0.02 A 36 TRP HZ2 H 1 7.23 0.02 A 36 TRP C C 13 174.87 0.3 A 36 TRP CA C 13 55.67 0.3 A 36 TRP CZ2 C 13 114.57 0.3 A 36 TRP N N 15 112.6 0.3 A 37 ALA H H 1 8.5 0.02 A 37 ALA HA H 1 5.29 0.02 A 37 ALA HB% H 1 1.13 0.02 A 37 ALA C C 13 175.97 0.3 A 37 ALA CA C 13 51.57 0.3 A 37 ALA CB C 13 22.37 0.3 A 37 ALA N N 15 120.3 0.3 A 38 VAL H H 1 9.6 0.02 A 38 VAL HA H 1 5.3 0.02 A 38 VAL HB H 1 2.22 0.02 A 38 VAL HG1% H 1 1.44 0.02 A 38 VAL HG2% H 1 0.9 0.02 A 38 VAL C C 13 174.07 0.3 A 38 VAL CA C 13 60.27 0.3 A 38 VAL CB C 13 35.07 0.3 A 38 VAL CG1 C 13 23.27 0.3 A 38 VAL N N 15 121.6 0.3 A 39 GLN H H 1 8.57 0.02 A 39 GLN HA H 1 6.04 0.02 A 39 GLN HBy H 1 2.34 0.02 A 39 GLN HBx H 1 2.12 0.02 A 39 GLN HE21 H 1 7.26 0.02 A 39 GLN HE22 H 1 6.56 0.02 A 39 GLN HG2 H 1 1.87 0.02 A 39 GLN C C 13 175.47 0.3 A 39 GLN CA C 13 53.77 0.3 A 39 GLN CG C 13 33.97 0.3 A 39 GLN N N 15 124.5 0.3 A 39 GLN NE2 N 15 111.4 0.3 A 40 TRP H H 1 8.67 0.02 A 40 TRP HA H 1 5.02 0.02 A 40 TRP HBy H 1 3.48 0.02 A 40 TRP HBx H 1 3.15 0.02 A 40 TRP HH2 H 1 6.29 0.02 A 40 TRP HZ2 H 1 6.59 0.02 A 40 TRP C C 13 171.77 0.3 A 40 TRP CA C 13 56.97 0.3 A 40 TRP CB C 13 32.27 0.3 A 40 TRP CZ2 C 13 114.47 0.3 A 40 TRP N N 15 123.8 0.3 A 41 GLN H H 1 9.42 0.02 A 41 GLN HA H 1 4.86 0.02 A 41 GLN HBy H 1 2.19 0.02 A 41 GLN HBx H 1 1.89 0.02 A 41 GLN HE21 H 1 7.39 0.02 A 41 GLN HE22 H 1 6.66 0.02 A 41 GLN C C 13 173.77 0.3 A 41 GLN CA C 13 51.87 0.3 A 41 GLN N N 15 121 0.3 A 41 GLN NE2 N 15 110.9 0.3 A 42 PRO HA H 1 4.42 0.02 A 42 PRO HDy H 1 3.51 0.02 A 42 PRO HDx H 1 3.15 0.02 A 42 PRO HGy H 1 1.84 0.02 A 42 PRO HGx H 1 1.22 0.02 A 42 PRO C C 13 176.37 0.3 A 42 PRO CA C 13 62.37 0.3 A 42 PRO CD C 13 50.47 0.3 A 43 GLY H H 1 8.94 0.02 A 43 GLY HAy H 1 3.89 0.02 A 43 GLY HAx H 1 3.56 0.02 A 43 GLY C C 13 173.77 0.3 A 43 GLY CA C 13 44.27 0.3 A 43 GLY N N 15 107.5 0.3 A 44 GLY H H 1 8.72 0.02 A 44 GLY HAy H 1 3.87 0.02 A 44 GLY HAx H 1 3.67 0.02 A 44 GLY C C 13 175.77 0.3 A 44 GLY CA C 13 46.67 0.3 A 44 GLY N N 15 108.5 0.3 A 45 GLY H H 1 8.88 0.02 A 45 GLY HAy H 1 4.43 0.02 A 45 GLY HAx H 1 3.6 0.02 A 45 GLY C C 13 174.27 0.3 A 45 GLY CA C 13 45.37 0.3 A 45 GLY N N 15 114.4 0.3 A 46 THR H H 1 7.93 0.02 A 46 THR HA H 1 5.39 0.02 A 46 THR HB H 1 4.39 0.02 A 46 THR HG2% H 1 1.34 0.02 A 46 THR CA C 13 61.37 0.3 A 46 THR CB C 13 69.17 0.3 A 46 THR CG2 C 13 21.97 0.3 A 46 THR N N 15 119.3 0.3 A 47 THR H H 1 8.56 0.02 A 47 THR HA H 1 4.45 0.02 A 47 THR HB H 1 3.84 0.02 A 47 THR HG2% H 1 1.09 0.02 A 47 THR C C 13 173.87 0.3 A 47 THR CA C 13 60.87 0.3 A 47 THR CB C 13 70.97 0.3 A 47 THR CG2 C 13 21.37 0.3 A 47 THR N N 15 123.2 0.3 A 48 LEU H H 1 9.27 0.02 A 48 LEU HA H 1 4.16 0.02 A 48 LEU HBx H 1 1.37 0.02 A 48 LEU HBy H 1 1.46 0.02 A 48 LEU HD1% H 1 0.6 0.02 A 48 LEU HD2% H 1 0.25 0.02 A 48 LEU HG H 1 1.4 0.02 A 48 LEU C C 13 176.97 0.3 A 48 LEU CA C 13 57.37 0.3 A 48 LEU CB C 13 41.77 0.3 A 48 LEU CD1 C 13 24.67 0.3 A 48 LEU CD2 C 13 24.97 0.3 A 48 LEU CG C 13 27.27 0.3 A 48 LEU N N 15 130.9 0.3 A 49 GLY H H 1 9.05 0.02 A 49 GLY HAy H 1 4.24 0.02 A 49 GLY HAx H 1 3.57 0.02 A 49 GLY C C 13 173.67 0.3 A 49 GLY CA C 13 44.67 0.3 A 49 GLY N N 15 111.6 0.3 A 50 GLY H H 1 7.75 0.02 A 50 GLY HAy H 1 4.07 0.02 A 50 GLY HAx H 1 3.82 0.02 A 50 GLY C C 13 172.07 0.3 A 50 GLY CA C 13 45.67 0.3 A 50 GLY N N 15 110.2 0.3 A 51 VAL H H 1 8.12 0.02 A 51 VAL HA H 1 4.87 0.02 A 51 VAL HB H 1 1.86 0.02 A 51 VAL HG1% H 1 0.88 0.02 A 51 VAL HG2% H 1 0.75 0.02 A 51 VAL C C 13 175.37 0.3 A 51 VAL CA C 13 60.47 0.3 A 51 VAL CB C 13 34.77 0.3 A 51 VAL CG1 C 13 21.37 0.3 A 51 VAL CG2 C 13 20.07 0.3 A 51 VAL N N 15 120.1 0.3 A 52 TRP H H 1 8.79 0.02 A 52 TRP HA H 1 5.27 0.02 A 52 TRP HBy H 1 3.38 0.02 A 52 TRP HBx H 1 3.12 0.02 A 52 TRP HZ2 H 1 7.3 0.02 A 52 TRP C C 13 175.07 0.3 A 52 TRP CA C 13 55.37 0.3 A 52 TRP CB C 13 30.87 0.3 A 52 TRP CZ2 C 13 114.67 0.3 A 52 TRP N N 15 125.1 0.3 A 53 ASN H H 1 9.33 0.02 A 53 ASN HA H 1 4.29 0.02 A 53 ASN HBy H 1 3.68 0.02 A 53 ASN HBx H 1 3.36 0.02 A 53 ASN HD21 H 1 7.86 0.02 A 53 ASN HD22 H 1 7.11 0.02 A 53 ASN C C 13 172.57 0.3 A 53 ASN CA C 13 54.77 0.3 A 53 ASN CB C 13 37.27 0.3 A 53 ASN N N 15 114.7 0.3 A 53 ASN ND2 N 15 113.7 0.3 A 54 GLY H H 1 7.21 0.02 A 54 GLY HA2 H 1 4.32 0.02 A 54 GLY C C 13 170.87 0.3 A 54 GLY CA C 13 44.67 0.3 A 54 GLY N N 15 100 0.3 A 55 SER H H 1 8.68 0.02 A 55 SER HA H 1 4.65 0.02 A 55 SER HBy H 1 3.32 0.02 A 55 SER HBx H 1 3.29 0.02 A 55 SER C C 13 173.87 0.3 A 55 SER CA C 13 55.97 0.3 A 55 SER CB C 13 64.97 0.3 A 55 SER N N 15 115 0.3 A 56 LEU H H 1 8.89 0.02 A 56 LEU HA H 1 4.84 0.02 A 56 LEU HBy H 1 1.71 0.02 A 56 LEU HBx H 1 1.17 0.02 A 56 LEU HD1% H 1 0.63 0.02 A 56 LEU HD2% H 1 0.38 0.02 A 56 LEU HG H 1 0.84 0.02 A 56 LEU C C 13 176.57 0.3 A 56 LEU CA C 13 55.17 0.3 A 56 LEU CB C 13 44.67 0.3 A 56 LEU CD1 C 13 25.87 0.3 A 56 LEU CD2 C 13 27.77 0.3 A 56 LEU CG C 13 28.97 0.3 A 56 LEU N N 15 131.6 0.3 A 57 THR H H 1 9.11 0.02 A 57 THR HA H 1 4.34 0.02 A 57 THR HB H 1 3.88 0.02 A 57 THR HG2% H 1 0.48 0.02 A 57 THR C C 13 172.87 0.3 A 57 THR CA C 13 61.87 0.3 A 57 THR CB C 13 71.57 0.3 A 57 THR CG2 C 13 21.57 0.3 A 57 THR N N 15 121.5 0.3 A 58 SER H H 1 8.57 0.02 A 58 SER HA H 1 4.73 0.02 A 58 SER HBy H 1 3.72 0.02 A 58 SER HBx H 1 3.62 0.02 A 58 SER C C 13 174.47 0.3 A 58 SER CA C 13 57.37 0.3 A 58 SER CB C 13 63.67 0.3 A 58 SER N N 15 119.6 0.3 A 59 GLY H H 1 8.56 0.02 A 59 GLY HAy H 1 4.31 0.02 A 59 GLY HAx H 1 3.63 0.02 A 59 GLY C C 13 175.57 0.3 A 59 GLY CA C 13 44.17 0.3 A 59 GLY N N 15 112.6 0.3 A 60 SER H H 1 8.6 0.02 A 60 SER HA H 1 4.74 0.02 A 60 SER HBy H 1 3.53 0.02 A 60 SER HBx H 1 3.47 0.02 A 60 SER C C 13 174.37 0.3 A 60 SER CA C 13 59.87 0.3 A 60 SER CB C 13 65.37 0.3 A 60 SER N N 15 118.1 0.3 A 61 ASP H H 1 8.08 0.02 A 61 ASP HA H 1 4.46 0.02 A 61 ASP HBy H 1 2.92 0.02 A 61 ASP HBx H 1 2.47 0.02 A 61 ASP C C 13 176.67 0.3 A 61 ASP CA C 13 52.77 0.3 A 61 ASP CB C 13 39.77 0.3 A 61 ASP N N 15 119.8 0.3 A 62 GLY H H 1 7.83 0.02 A 62 GLY HAy H 1 4.23 0.02 A 62 GLY HAx H 1 3.62 0.02 A 62 GLY C C 13 174.57 0.3 A 62 GLY CA C 13 45.07 0.3 A 62 GLY N N 15 107.3 0.3 A 63 THR H H 1 7.55 0.02 A 63 THR HA H 1 4.61 0.02 A 63 THR HB H 1 3.91 0.02 A 63 THR HG2% H 1 0.9 0.02 A 63 THR CA C 13 58.37 0.3 A 63 THR CB C 13 72.27 0.3 A 63 THR CG2 C 13 19.27 0.3 A 63 THR N N 15 111.3 0.3 A 64 VAL H H 1 8.57 0.02 A 64 VAL HA H 1 4.56 0.02 A 64 VAL HB H 1 1.22 0.02 A 64 VAL HG1% H 1 0.37 0.02 A 64 VAL HG2% H 1 -0.65 0.02 A 64 VAL C C 13 173.87 0.3 A 64 VAL CA C 13 59.67 0.3 A 64 VAL CB C 13 33.67 0.3 A 64 VAL CG1 C 13 21.57 0.3 A 64 VAL CG2 C 13 16.27 0.3 A 64 VAL N N 15 117.5 0.3 A 65 THR H H 1 8.2 0.02 A 65 THR HA H 1 5.24 0.02 A 65 THR HB H 1 3.61 0.02 A 65 THR HG2% H 1 0.91 0.02 A 65 THR C C 13 173.67 0.3 A 65 THR CA C 13 60.87 0.3 A 65 THR CB C 13 71.17 0.3 A 65 THR CG2 C 13 21.00 0.3 A 65 THR N N 15 116.4 0.3 A 66 VAL H H 1 9.47 0.02 A 66 VAL HA H 1 4.58 0.02 A 66 VAL HB H 1 1.48 0.02 A 66 VAL HG1% H 1 0.48 0.02 A 66 VAL HG2% H 1 -0.3 0.02 A 66 VAL C C 13 174.37 0.3 A 66 VAL CA C 13 60.57 0.3 A 66 VAL CB C 13 33.97 0.3 A 66 VAL CG1 C 13 24.97 0.3 A 66 VAL CG2 C 13 19.97 0.3 A 66 VAL N N 15 127.3 0.3 A 67 ARG H H 1 8.35 0.02 A 67 ARG HA H 1 4.83 0.02 A 67 ARG HBx H 1 1.46 0.02 A 67 ARG C C 13 174.57 0.3 A 67 ARG CA C 13 53.07 0.3 A 67 ARG N N 15 125.2 0.3 A 68 ASN H H 1 6.21 0.02 A 68 ASN HA H 1 4.29 0.02 A 68 ASN HBy H 1 3.65 0.02 A 68 ASN HBx H 1 3.36 0.02 A 68 ASN HD21 H 1 6.93 0.02 A 68 ASN HD22 H 1 6.61 0.02 A 68 ASN C C 13 174.27 0.3 A 68 ASN CA C 13 54.77 0.3 A 68 ASN CB C 13 37.17 0.3 A 68 ASN N N 15 113.4 0.3 A 68 ASN ND2 N 15 113.9 0.3 A 69 VAL H H 1 7.99 0.02 A 69 VAL HA H 1 4.4 0.02 A 69 VAL HB H 1 2.32 0.02 A 69 VAL HG1% H 1 0.56 0.02 A 69 VAL HG2% H 1 0.33 0.02 A 69 VAL C C 13 177.67 0.3 A 69 VAL CA C 13 59.57 0.3 A 69 VAL CB C 13 31.77 0.3 A 69 VAL CG1 C 13 21.47 0.3 A 69 VAL CG2 C 13 18.67 0.3 A 69 VAL N N 15 111.4 0.3 A 70 ASP H H 1 8.3 0.02 A 70 ASP HA H 1 4.21 0.02 A 70 ASP HBy H 1 2.66 0.02 A 70 ASP HBx H 1 2.62 0.02 A 70 ASP C C 13 179.77 0.3 A 70 ASP CA C 13 58.47 0.3 A 70 ASP CB C 13 40.27 0.3 A 70 ASP N N 15 120 0.3 A 71 HIS H H 1 7.89 0.02 A 71 HIS HA H 1 4.52 0.02 A 71 HIS HBy H 1 3.36 0.02 A 71 HIS HBx H 1 2.99 0.02 A 71 HIS HD2 H 1 7.08 0.02 A 71 HIS HE1 H 1 7.79 0.02 A 71 HIS CA C 13 57.77 0.3 A 71 HIS CB C 13 29.77 0.3 A 71 HIS CD2 C 13 119.17 0.3 A 71 HIS CE1 C 13 139.57 0.3 A 71 HIS N N 15 127.3 0.3 A 72 ASN H H 1 6.85 0.02 A 72 ASN HA H 1 5 0.02 A 72 ASN HBy H 1 3.36 0.02 A 72 ASN HBx H 1 2.57 0.02 A 72 ASN HD21 H 1 7.89 0.02 A 72 ASN HD22 H 1 7.75 0.02 A 72 ASN C C 13 173.47 0.3 A 72 ASN CA C 13 50.57 0.3 A 72 ASN CB C 13 36.97 0.3 A 72 ASN N N 15 117.2 0.3 A 72 ASN ND2 N 15 109.4 0.3 A 73 ARG H H 1 6.76 0.02 A 73 ARG HA H 1 5.04 0.02 A 73 ARG C C 13 175.07 0.3 A 73 ARG CA C 13 59.67 0.3 A 73 ARG N N 15 117.6 0.3 A 74 VAL H H 1 7.85 0.02 A 74 VAL HA H 1 4.74 0.02 A 74 VAL HB H 1 1.89 0.02 A 74 VAL HG1% H 1 0.92 0.02 A 74 VAL HG2% H 1 0.75 0.02 A 74 VAL C C 13 176.67 0.3 A 74 VAL CA C 13 61.17 0.3 A 74 VAL CB C 13 31.87 0.3 A 74 VAL CG1 C 13 21.47 0.3 A 74 VAL CG2 C 13 21.47 0.3 A 74 VAL N N 15 115.1 0.3 A 75 VAL H H 1 7.75 0.02 A 75 VAL HA H 1 4.68 0.02 A 75 VAL CA C 13 57.37 0.3 A 75 VAL N N 15 127 0.3 A 76 PRO HD2 H 1 3.5 0.02 A 76 PRO N N 15 127.4 0.3 A 77 PRO C C 13 177.17 0.3 A 77 PRO CA C 13 63.97 0.3 A 78 ASP H H 1 8.37 0.02 A 78 ASP HA H 1 4.43 0.02 A 78 ASP HBy H 1 2.91 0.02 A 78 ASP HBx H 1 2.72 0.02 A 78 ASP C C 13 174.97 0.3 A 78 ASP CA C 13 56.47 0.3 A 78 ASP N N 15 121 0.3 A 79 GLY H H 1 8.17 0.02 A 79 GLY HAy H 1 4.51 0.02 A 79 GLY HAx H 1 3.47 0.02 A 79 GLY C C 13 172.37 0.3 A 79 GLY CA C 13 43.77 0.3 A 79 GLY N N 15 107.2 0.3 A 80 SER H H 1 8.07 0.02 A 80 SER HA H 1 5.55 0.02 A 80 SER HBy H 1 3.68 0.02 A 80 SER HBx H 1 3.62 0.02 A 80 SER C C 13 173.57 0.3 A 80 SER CA C 13 56.37 0.3 A 80 SER CB C 13 67.07 0.3 A 80 SER N N 15 111.3 0.3 A 81 VAL H H 1 8.45 0.02 A 81 VAL HA H 1 4.71 0.02 A 81 VAL HB H 1 2.43 0.02 A 81 VAL HG1% H 1 1.02 0.02 A 81 VAL HG2% H 1 0.67 0.02 A 81 VAL C C 13 173.97 0.3 A 81 VAL CA C 13 59.87 0.3 A 81 VAL CB C 13 35.47 0.3 A 81 VAL CG1 C 13 22.67 0.3 A 81 VAL CG2 C 13 18.77 0.3 A 81 VAL N N 15 114.1 0.3 A 82 THR H H 1 8.02 0.02 A 82 THR HA H 1 5.55 0.02 A 82 THR HB H 1 3.81 0.02 A 82 THR HG2% H 1 0.86 0.02 A 82 THR C C 13 174.27 0.3 A 82 THR CA C 13 60.27 0.3 A 82 THR CB C 13 72.17 0.3 A 82 THR CG2 C 13 18.07 0.3 A 82 THR N N 15 113.5 0.3 A 83 PHE H H 1 8.58 0.02 A 83 PHE HA H 1 5.13 0.02 A 83 PHE HBy H 1 3.59 0.02 A 83 PHE HBx H 1 2.87 0.02 A 83 PHE HD1 H 1 6.88 0.02 A 83 PHE C C 13 172.37 0.3 A 83 PHE CA C 13 55.77 0.3 A 83 PHE CB C 13 41.17 0.3 A 83 PHE CD1 C 13 130.87 0.3 A 83 PHE N N 15 120.3 0.3 A 84 GLY H H 1 7.58 0.02 A 84 GLY HA2 H 1 4.51 0.02 A 84 GLY C C 13 170.57 0.3 A 84 GLY CA C 13 43.07 0.3 A 84 GLY N N 15 106.5 0.3 A 85 PHE H H 1 7.21 0.02 A 85 PHE HA H 1 4.93 0.02 A 85 PHE HBy H 1 3.2 0.02 A 85 PHE HBx H 1 3.06 0.02 A 85 PHE HD1 H 1 6.63 0.02 A 85 PHE C C 13 174.17 0.3 A 85 PHE CA C 13 56.17 0.3 A 85 PHE CB C 13 41.27 0.3 A 85 PHE CD1 C 13 132.27 0.3 A 85 PHE N N 15 112.3 0.3 A 86 THR H H 1 8.36 0.02 A 86 THR HA H 1 5.07 0.02 A 86 THR HB H 1 4.28 0.02 A 86 THR HG2% H 1 1.37 0.02 A 86 THR C C 13 173.27 0.3 A 86 THR CA C 13 60.07 0.3 A 86 THR CB C 13 70.27 0.3 A 86 THR CG2 C 13 18.67 0.3 A 86 THR N N 15 111.5 0.3 A 87 ALA H H 1 8.56 0.02 A 87 ALA HA H 1 5 0.02 A 87 ALA HB% H 1 0.61 0.02 A 87 ALA C C 13 177.87 0.3 A 87 ALA CA C 13 50.97 0.3 A 87 ALA CB C 13 23.27 0.3 A 87 ALA N N 15 124.3 0.3 A 88 THR H H 1 8.48 0.02 A 88 THR HA H 1 5 0.02 A 88 THR HB H 1 4.28 0.02 A 88 THR HG2% H 1 1.37 0.02 A 88 THR C C 13 174.07 0.3 A 88 THR CA C 13 60.87 0.3 A 88 THR CB C 13 71.57 0.3 A 88 THR CG2 C 13 18.77 0.3 A 88 THR N N 15 114.3 0.3 A 89 SER H H 1 8.01 0.02 A 89 SER HA H 1 5.21 0.02 A 89 SER HBy H 1 4.07 0.02 A 89 SER HBx H 1 3.54 0.02 A 89 SER C C 13 174.87 0.3 A 89 SER CA C 13 56.77 0.3 A 89 SER CB C 13 67.07 0.3 A 89 SER N N 15 118.1 0.3 A 90 THR H H 1 9.51 0.02 A 90 THR HA H 1 4.5 0.02 A 90 THR HB H 1 4.55 0.02 A 90 THR HG2% H 1 1.16 0.02 A 90 THR C C 13 174.37 0.3 A 90 THR CA C 13 60.67 0.3 A 90 THR CB C 13 68.27 0.3 A 90 THR CG2 C 13 21.37 0.3 A 90 THR N N 15 115.8 0.3 A 91 GLY H H 1 8.31 0.02 A 91 GLY HAy H 1 4.52 0.02 A 91 GLY HAx H 1 4.39 0.02 A 91 GLY C C 13 174.67 0.3 A 91 GLY CA C 13 44.57 0.3 A 91 GLY N N 15 109.2 0.3 A 92 ASN H H 1 8.23 0.02 A 92 ASN HA H 1 5 0.02 A 92 ASN HBy H 1 2.82 0.02 A 92 ASN HBx H 1 2.77 0.02 A 92 ASN HD21 H 1 7.68 0.02 A 92 ASN HD22 H 1 6.9 0.02 A 92 ASN C C 13 175.47 0.3 A 92 ASN CA C 13 51.87 0.3 A 92 ASN CB C 13 36.67 0.3 A 92 ASN N N 15 119.8 0.3 A 92 ASN ND2 N 15 112.6 0.3 A 93 ASP H H 1 7.68 0.02 A 93 ASP HA H 1 3.87 0.02 A 93 ASP C C 13 173.67 0.3 A 93 ASP CA C 13 55.17 0.3 A 93 ASP N N 15 125.3 0.3 A 94 PHE H H 1 7.87 0.02 A 94 PHE HA H 1 4.37 0.02 A 94 PHE HBy H 1 2.85 0.02 A 94 PHE HBx H 1 2.74 0.02 A 94 PHE HD1 H 1 7.06 0.02 A 94 PHE C C 13 174.27 0.3 A 94 PHE CA C 13 56.07 0.3 A 94 PHE CB C 13 39.27 0.3 A 94 PHE CD1 C 13 131.47 0.3 A 94 PHE N N 15 118.6 0.3 A 95 PRO HA H 1 4.33 0.02 A 95 PRO C C 13 176.77 0.3 A 95 PRO CA C 13 62.97 0.3 A 96 VAL H H 1 8.72 0.02 A 96 VAL HA H 1 3.75 0.02 A 96 VAL HB H 1 1.8 0.02 A 96 VAL HG1% H 1 0.86 0.02 A 96 VAL C C 13 176.07 0.3 A 96 VAL CA C 13 64.37 0.3 A 96 VAL CB C 13 32.67 0.3 A 96 VAL CG1 C 13 21.27 0.3 A 96 VAL N N 15 121.3 0.3 A 97 ASP H H 1 8.23 0.02 A 97 ASP HA H 1 4.63 0.02 A 97 ASP HB2 H 1 2.69 0.02 A 97 ASP C C 13 174.77 0.3 A 97 ASP CA C 13 53.27 0.3 A 97 ASP CB C 13 41.27 0.3 A 97 ASP N N 15 120.5 0.3 A 98 SER H H 1 8.21 0.02 A 98 SER HA H 1 4.4 0.02 A 98 SER HBy H 1 3.85 0.02 A 98 SER HBx H 1 3.78 0.02 A 98 SER C C 13 173.47 0.3 A 98 SER CA C 13 57.67 0.3 A 98 SER CB C 13 63.97 0.3 A 98 SER N N 15 115.3 0.3 A 99 ILE H H 1 8.44 0.02 A 99 ILE HA H 1 4.81 0.02 A 99 ILE HB H 1 1.38 0.02 A 99 ILE HD1% H 1 0.34 0.02 A 99 ILE HG2% H 1 0.86 0.02 A 99 ILE C C 13 174.37 0.3 A 99 ILE CA C 13 60.17 0.3 A 99 ILE CB C 13 40.37 0.3 A 99 ILE CG2 C 13 15.27 0.3 A 99 ILE N N 15 122.4 0.3 A 100 GLY H H 1 8.33 0.02 A 100 GLY HAy H 1 4.54 0.02 A 100 GLY HAx H 1 3.89 0.02 A 100 GLY C C 13 171.97 0.3 A 100 GLY CA C 13 44.57 0.3 A 100 GLY N N 15 113.4 0.3 A 101 CYS H H 1 8.67 0.02 A 101 CYS HA H 1 5.55 0.02 A 101 CYS HBy H 1 3.22 0.02 A 101 CYS HBx H 1 3.09 0.02 A 101 CYS CA C 13 55.87 0.3 A 101 CYS CB C 13 43.97 0.3 A 101 CYS N N 15 119 0.3 A 102 VAL H H 1 9.06 0.02 A 102 VAL HA H 1 4.45 0.02 A 102 VAL HB H 1 2.01 0.02 A 102 VAL HG1% H 1 1.11 0.02 A 102 VAL HG2% H 1 0.77 0.02 A 102 VAL C C 13 174.37 0.3 A 102 VAL CA C 13 60.57 0.3 A 102 VAL CB C 13 35.37 0.3 A 102 VAL N N 15 124.1 0.3 A 103 ALA H H 1 8.43 0.02 A 103 ALA HA H 1 4.75 0.02 A 103 ALA HB% H 1 1.32 0.02 A 103 ALA C C 13 175.47 0.3 A 103 ALA CA C 13 49.57 0.3 A 103 ALA N N 15 128.3 0.3 stop_ save_ save_assigned_chem_shift_list_ScLPMO10C _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_ScLPMO10C loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 HIS C C 13 175.05 0.3 A 1 HIS CA C 13 54.65 0.3 A 1 HIS CB C 13 32.65 0.3 A 2 THR H H 1 7.91 0.02 A 2 THR C C 13 174.95 0.3 A 2 THR CA C 13 61.85 0.3 A 2 THR CB C 13 69.65 0.3 A 2 THR N N 15 127.9 0.3 A 3 GLY H H 1 8.39 0.02 A 3 GLY C C 13 173.85 0.3 A 3 GLY CA C 13 45.35 0.3 A 3 GLY N N 15 112 0.3 A 4 SER H H 1 8.33 0.02 A 4 SER C C 13 172.45 0.3 A 4 SER CA C 13 58.25 0.3 A 4 SER CB C 13 63.55 0.3 A 4 SER N N 15 115.8 0.3 A 6 MET H H 1 8.98 0.02 A 6 MET CA C 13 54.15 0.3 A 6 MET N N 15 129.4 0.3 A 7 ALA H H 1 8.67 0.02 A 7 ALA C C 13 175.65 0.3 A 7 ALA CA C 13 49.45 0.3 A 7 ALA CB C 13 22.55 0.3 A 7 ALA N N 15 125.8 0.3 A 8 VAL H H 1 8.63 0.02 A 8 VAL C C 13 174.65 0.3 A 8 VAL CA C 13 61.55 0.3 A 8 VAL CB C 13 34.55 0.3 A 8 VAL N N 15 120.9 0.3 A 9 TYR H H 1 9.05 0.02 A 9 TYR C C 13 174.35 0.3 A 9 TYR CA C 13 57.45 0.3 A 9 TYR CB C 13 41.15 0.3 A 9 TYR N N 15 133.9 0.3 A 10 SER H H 1 8.66 0.02 A 10 SER CA C 13 59.45 0.3 A 10 SER CB C 13 63.05 0.3 A 10 SER N N 15 115.5 0.3 A 11 VAL H H 1 8.38 0.02 A 11 VAL C C 13 176.25 0.3 A 11 VAL CA C 13 62.75 0.3 A 11 VAL CB C 13 32.55 0.3 A 11 VAL N N 15 122.1 0.3 A 12 GLU H H 1 8.53 0.02 A 12 GLU C C 13 176.45 0.3 A 12 GLU CA C 13 57.65 0.3 A 12 GLU CB C 13 31.15 0.3 A 12 GLU N N 15 128.5 0.3 A 13 ASN H H 1 7.55 0.02 A 13 ASN C C 13 172.65 0.3 A 13 ASN CA C 13 52.75 0.3 A 13 ASN CB C 13 41.95 0.3 A 13 ASN N N 15 114.1 0.3 A 14 SER H H 1 8.5 0.02 A 14 SER C C 13 171.55 0.3 A 14 SER CA C 13 57.45 0.3 A 14 SER CB C 13 65.15 0.3 A 14 SER N N 15 117.6 0.3 A 15 TRP H H 1 8.19 0.02 A 15 TRP C C 13 174.75 0.3 A 15 TRP CA C 13 55.95 0.3 A 15 TRP N N 15 122.4 0.3 A 16 SER H H 1 8.57 0.02 A 16 SER CA C 13 59.35 0.3 A 16 SER CB C 13 61.85 0.3 A 16 SER N N 15 114 0.3 A 17 GLY H H 1 8.85 0.02 A 17 GLY C C 13 176.05 0.3 A 17 GLY CA C 13 44.85 0.3 A 17 GLY N N 15 119.7 0.3 A 18 GLY H H 1 7.33 0.02 A 18 GLY C C 13 168.95 0.3 A 18 GLY CA C 13 47.05 0.3 A 18 GLY N N 15 111.7 0.3 A 19 PHE H H 1 7.52 0.02 A 19 PHE C C 13 170.95 0.3 A 19 PHE CA C 13 56.45 0.3 A 19 PHE N N 15 113.2 0.3 A 20 GLN H H 1 8.54 0.02 A 20 GLN C C 13 175.25 0.3 A 20 GLN CA C 13 53.85 0.3 A 20 GLN N N 15 118.9 0.3 A 21 GLY H H 1 7.96 0.02 A 21 GLY C C 13 171.55 0.3 A 21 GLY CA C 13 44.95 0.3 A 21 GLY N N 15 114.1 0.3 A 22 SER H H 1 8.32 0.02 A 22 SER C C 13 171.75 0.3 A 22 SER CA C 13 56.55 0.3 A 22 SER CB C 13 63.65 0.3 A 22 SER N N 15 115.5 0.3 A 23 VAL H H 1 8.1 0.02 A 23 VAL C C 13 172.75 0.3 A 23 VAL CA C 13 59.15 0.3 A 23 VAL CB C 13 32.55 0.3 A 23 VAL N N 15 123.8 0.3 A 24 GLU H H 1 8.06 0.02 A 24 GLU C C 13 174.35 0.3 A 24 GLU CA C 13 53.75 0.3 A 24 GLU N N 15 127.4 0.3 A 25 VAL H H 1 9.05 0.02 A 25 VAL C C 13 174.65 0.3 A 25 VAL CA C 13 62.15 0.3 A 25 VAL CB C 13 31.45 0.3 A 25 VAL N N 15 129.9 0.3 A 26 MET H H 1 8.91 0.02 A 26 MET C C 13 174.75 0.3 A 26 MET CA C 13 54.05 0.3 A 26 MET CB C 13 35.05 0.3 A 26 MET N N 15 123.3 0.3 A 27 ASN H H 1 7.89 0.02 A 27 ASN C C 13 175.65 0.3 A 27 ASN CA C 13 50.65 0.3 A 27 ASN CB C 13 37.15 0.3 A 27 ASN N N 15 117.8 0.3 A 28 HIS H H 1 8.67 0.02 A 28 HIS CA C 13 53.75 0.3 A 28 HIS CB C 13 29.45 0.3 A 28 HIS N N 15 123.9 0.3 A 29 GLY H H 1 8.26 0.02 A 29 GLY C C 13 173.35 0.3 A 29 GLY CA C 13 45.15 0.3 A 29 GLY N N 15 109.5 0.3 A 30 THR H H 1 8.03 0.02 A 30 THR C C 13 174.65 0.3 A 30 THR CA C 13 62.15 0.3 A 30 THR CB C 13 69.25 0.3 A 30 THR N N 15 106.5 0.3 A 31 GLU H H 1 7.54 0.02 A 31 GLU C C 13 174.15 0.3 A 31 GLU CA C 13 52.75 0.3 A 31 GLU CB C 13 30.45 0.3 A 31 GLU N N 15 120.8 0.3 A 32 PRO C C 13 176.45 0.3 A 32 PRO CA C 13 62.85 0.3 A 32 PRO CB C 13 32.07 0.3 A 33 LEU H H 1 8.28 0.02 A 33 LEU C C 13 175.75 0.3 A 33 LEU CA C 13 56.15 0.3 A 33 LEU CB C 13 40.45 0.3 A 33 LEU N N 15 122.5 0.3 A 34 ASN H H 1 8.84 0.02 A 34 ASN C C 13 174.45 0.3 A 34 ASN CA C 13 51.65 0.3 A 34 ASN CB C 13 37.95 0.3 A 34 ASN N N 15 124.2 0.3 A 35 GLY H H 1 8.08 0.02 A 35 GLY C C 13 175.25 0.3 A 35 GLY CA C 13 45.15 0.3 A 35 GLY N N 15 113.6 0.3 A 36 TRP H H 1 7.67 0.02 A 36 TRP C C 13 174.45 0.3 A 36 TRP CA C 13 55.65 0.3 A 36 TRP CB C 13 31.25 0.3 A 36 TRP N N 15 113.5 0.3 A 37 ALA H H 1 8.49 0.02 A 37 ALA C C 13 175.95 0.3 A 37 ALA CA C 13 55.85 0.3 A 37 ALA CB C 13 22.05 0.3 A 37 ALA N N 15 120.5 0.3 A 38 VAL H H 1 9.5 0.02 A 38 VAL C C 13 174.05 0.3 A 38 VAL CA C 13 60.15 0.3 A 38 VAL CB C 13 35.05 0.3 A 38 VAL N N 15 121.8 0.3 A 39 GLN H H 1 8.54 0.02 A 39 GLN C C 13 175.45 0.3 A 39 GLN CA C 13 53.75 0.3 A 39 GLN N N 15 125.2 0.3 A 40 TRP H H 1 8.6 0.02 A 40 TRP C C 13 171.65 0.3 A 40 TRP CA C 13 56.95 0.3 A 40 TRP CB C 13 32.25 0.3 A 40 TRP N N 15 124.3 0.3 A 41 GLN H H 1 9.28 0.02 A 41 GLN C C 13 173.75 0.3 A 41 GLN CA C 13 51.85 0.3 A 41 GLN N N 15 121.3 0.3 A 42 PRO C C 13 176.35 0.3 A 42 PRO CA C 13 62.35 0.3 A 43 GLY H H 1 8.88 0.02 A 43 GLY C C 13 173.75 0.3 A 43 GLY CA C 13 44.25 0.3 A 43 GLY N N 15 108 0.3 A 44 GLY H H 1 8.67 0.02 A 44 GLY C C 13 175.75 0.3 A 44 GLY CA C 13 46.65 0.3 A 44 GLY N N 15 109 0.3 A 45 GLY H H 1 8.82 0.02 A 45 GLY C C 13 174.35 0.3 A 45 GLY CA C 13 45.55 0.3 A 45 GLY N N 15 114.9 0.3 A 46 THR H H 1 7.91 0.02 A 46 THR C C 13 173.85 0.3 A 46 THR CA C 13 61.85 0.3 A 46 THR CB C 13 69.55 0.3 A 46 THR N N 15 120.2 0.3 A 47 THR H H 1 8.48 0.02 A 47 THR C C 13 173.75 0.3 A 47 THR CA C 13 60.85 0.3 A 47 THR CB C 13 70.95 0.3 A 47 THR N N 15 123.7 0.3 A 48 LEU H H 1 9.23 0.02 A 48 LEU C C 13 176.95 0.3 A 48 LEU CA C 13 57.35 0.3 A 48 LEU CB C 13 41.75 0.3 A 48 LEU N N 15 131.3 0.3 A 49 GLY H H 1 8.97 0.02 A 49 GLY C C 13 173.65 0.3 A 49 GLY CA C 13 44.65 0.3 A 49 GLY N N 15 112.1 0.3 A 50 GLY H H 1 7.69 0.02 A 50 GLY C C 13 172.05 0.3 A 50 GLY CA C 13 45.65 0.3 A 50 GLY N N 15 110.6 0.3 A 51 VAL H H 1 8.07 0.02 A 51 VAL C C 13 175.35 0.3 A 51 VAL CA C 13 60.25 0.3 A 51 VAL CB C 13 34.75 0.3 A 51 VAL N N 15 120.7 0.3 A 52 TRP H H 1 8.72 0.02 A 52 TRP C C 13 175.05 0.3 A 52 TRP CA C 13 55.35 0.3 A 52 TRP CB C 13 30.85 0.3 A 52 TRP N N 15 125.7 0.3 A 53 ASN H H 1 9.26 0.02 A 53 ASN C C 13 175.65 0.3 A 53 ASN CA C 13 54.65 0.3 A 53 ASN CB C 13 37.25 0.3 A 53 ASN N N 15 115.2 0.3 A 54 GLY H H 1 8.53 0.02 A 54 GLY C C 13 170.85 0.3 A 54 GLY CA C 13 45.15 0.3 A 54 GLY N N 15 102 0.3 A 55 SER H H 1 8.65 0.02 A 55 SER C C 13 173.85 0.3 A 55 SER CA C 13 55.95 0.3 A 55 SER CB C 13 64.95 0.3 A 55 SER N N 15 115.2 0.3 A 56 LEU H H 1 8.85 0.02 A 56 LEU C C 13 176.55 0.3 A 56 LEU CA C 13 55.15 0.3 A 56 LEU CB C 13 44.65 0.3 A 56 LEU N N 15 132.2 0.3 A 57 THR H H 1 9.06 0.02 A 57 THR C C 13 172.85 0.3 A 57 THR CA C 13 61.85 0.3 A 57 THR CB C 13 71.55 0.3 A 57 THR N N 15 122.1 0.3 A 58 SER H H 1 8.52 0.02 A 58 SER C C 13 174.45 0.3 A 58 SER CA C 13 57.35 0.3 A 58 SER CB C 13 63.65 0.3 A 58 SER N N 15 120.2 0.3 A 59 GLY H H 1 8.5 0.02 A 59 GLY C C 13 175.55 0.3 A 59 GLY CA C 13 44.65 0.3 A 59 GLY N N 15 113 0.3 A 60 SER H H 1 8.8 0.02 A 60 SER C C 13 174.35 0.3 A 60 SER CA C 13 59.85 0.3 A 60 SER CB C 13 62.85 0.3 A 60 SER N N 15 118.6 0.3 A 61 ASP H H 1 8.02 0.02 A 61 ASP C C 13 176.65 0.3 A 61 ASP CA C 13 52.75 0.3 A 61 ASP CB C 13 39.75 0.3 A 61 ASP N N 15 120.2 0.3 A 62 GLY H H 1 7.75 0.02 A 62 GLY C C 13 174.55 0.3 A 62 GLY CA C 13 45.05 0.3 A 62 GLY N N 15 107.8 0.3 A 63 THR H H 1 7.48 0.02 A 63 THR C C 13 174.65 0.3 A 63 THR CA C 13 58.35 0.3 A 63 THR CB C 13 63.75 0.3 A 63 THR N N 15 110.4 0.3 A 64 VAL H H 1 8.49 0.02 A 64 VAL C C 13 173.85 0.3 A 64 VAL CA C 13 59.65 0.3 A 64 VAL CB C 13 41.95 0.3 A 64 VAL N N 15 117.9 0.3 A 65 THR H H 1 8.14 0.02 A 65 THR C C 13 173.65 0.3 A 65 THR CA C 13 58.55 0.3 A 65 THR CB C 13 63.85 0.3 A 65 THR N N 15 116.8 0.3 A 66 VAL H H 1 9.4 0.02 A 66 VAL C C 13 174.45 0.3 A 66 VAL CA C 13 60.55 0.3 A 66 VAL CB C 13 38.65 0.3 A 66 VAL N N 15 127.9 0.3 A 67 ARG H H 1 8.35 0.02 A 67 ARG C C 13 174.55 0.3 A 67 ARG CA C 13 53.05 0.3 A 67 ARG N N 15 125.5 0.3 A 68 ASN H H 1 6.16 0.02 A 68 ASN C C 13 174.15 0.3 A 68 ASN CA C 13 55.05 0.3 A 68 ASN CB C 13 39.25 0.3 A 68 ASN N N 15 113.7 0.3 A 69 VAL H H 1 7.92 0.02 A 69 VAL C C 13 177.75 0.3 A 69 VAL CA C 13 59.55 0.3 A 69 VAL CB C 13 31.75 0.3 A 69 VAL N N 15 111.6 0.3 A 70 ASP H H 1 8.24 0.02 A 70 ASP C C 13 176.95 0.3 A 70 ASP CA C 13 56.45 0.3 A 70 ASP CB C 13 38.85 0.3 A 70 ASP N N 15 120.1 0.3 A 71 HIS H H 1 7.77 0.02 A 71 HIS CA C 13 57.55 0.3 A 71 HIS CB C 13 33.35 0.3 A 71 HIS N N 15 127.4 0.3 A 72 ASN H H 1 6.81 0.02 A 72 ASN C C 13 173.45 0.3 A 72 ASN CA C 13 50.55 0.3 A 72 ASN CB C 13 41.35 0.3 A 72 ASN N N 15 117.9 0.3 A 73 ARG H H 1 6.67 0.02 A 73 ARG C C 13 174.85 0.3 A 73 ARG CA C 13 59.65 0.3 A 73 ARG N N 15 118.1 0.3 A 74 VAL H H 1 7.91 0.02 A 74 VAL C C 13 176.65 0.3 A 74 VAL CA C 13 63.05 0.3 A 74 VAL CB C 13 31.85 0.3 A 74 VAL N N 15 115.3 0.3 A 97 ASP H H 1 8.13 0.02 A 97 ASP C C 13 174.75 0.3 A 97 ASP CA C 13 56.35 0.3 A 97 ASP CB C 13 41.25 0.3 A 97 ASP N N 15 121.2 0.3 A 98 SER H H 1 8.17 0.02 A 98 SER C C 13 173.25 0.3 A 98 SER CA C 13 57.65 0.3 A 98 SER CB C 13 63.95 0.3 A 98 SER N N 15 116.1 0.3 A 99 ILE H H 1 8.36 0.02 A 99 ILE C C 13 174.05 0.3 A 99 ILE CA C 13 60.15 0.3 A 99 ILE CB C 13 40.35 0.3 A 99 ILE N N 15 122.4 0.3 A 100 GLY H H 1 8.21 0.02 A 100 GLY C C 13 171.75 0.3 A 100 GLY CA C 13 44.55 0.3 A 100 GLY N N 15 113.8 0.3 A 101 CYS H H 1 8.61 0.02 A 101 CYS C C 13 175.05 0.3 A 101 CYS CA C 13 55.85 0.3 A 101 CYS CB C 13 43.95 0.3 A 101 CYS N N 15 119.3 0.3 A 102 VAL C C 13 173.95 0.3 A 102 VAL CA C 13 61.85 0.3 A 103 ALA H H 1 8.24 0.02 A 103 ALA C C 13 174.95 0.3 A 103 ALA CA C 13 49.55 0.3 A 103 ALA CB C 13 18.75 0.3 A 103 ALA N N 15 128 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 15 TRP HA A 15 TRP HBy 1.0 0.0 2.83 2 2 A 15 TRP HA A 15 TRP HBx 1.0 0.0 2.89 3 3 A 16 SER HA A 16 SER HBx 1.0 0.0 2.86 4 4 A 14 SER HA A 19 PHE HA 1.0 0.0 3.64 5 5 A 28 HIS HA A 28 HIS HBx 1.0 0.0 3.36 6 6 A 30 THR HA A 30 THR HB 1.0 0.0 2.80 7 7 A 39 GLN HA A 65 THR HA 1.0 0.0 2.80 8 8 A 40 TRP HA A 40 TRP HBy 1.0 0.0 3.30 9 9 A 40 TRP HA A 40 TRP HBx 1.0 0.0 3.30 10 10 A 52 TRP HA A 52 TRP HBy 1.0 0.0 3.02 11 11 A 52 TRP HA A 52 TRP HBx 1.0 0.0 2.89 12 12 A 55 SER HA A 55 SER HBx 1.0 0.0 3.17 13 13 A 56 LEU HA A 66 VAL HA 1.0 0.0 2.80 14 14 A 58 SER HA A 58 SER HBy 1.0 0.0 3.30 15 15 A 63 THR HA A 63 THR HB 1.0 0.0 3.33 16 16 A 58 SER HA A 64 VAL HA 1.0 0.0 2.80 17 17 A 65 THR HA A 65 THR HB 1.0 0.0 3.36 18 18 A 37 ALA HA A 67 ARG HA 1.0 0.0 3.02 19 19 A 70 ASP HA A 70 ASP HBy 1.0 0.0 3.05 20 20 A 70 ASP HA A 70 ASP HBx 1.0 0.0 2.80 21 21 A 71 HIS HA A 71 HIS HBx 1.0 0.0 2.83 22 22 A 72 ASN HA A 72 ASN HBy 1.0 0.0 2.80 23 23 A 78 ASP HA A 78 ASP HBy 1.0 0.0 3.05 24 24 A 78 ASP HA A 78 ASP HBx 1.0 0.0 3.05 25 25 A 26 MET HA A 80 SER HA 1.0 0.0 2.92 26 26 A 80 SER HA A 80 SER HBx 1.0 0.0 3.27 27 27 A 24 GLU HA A 82 THR HA 1.0 0.0 2.80 28 28 A 82 THR HA A 82 THR HB 1.0 0.0 2.86 29 29 A 83 PHE HA A 83 PHE HBy 1.0 0.0 3.27 30 30 A 83 PHE HA A 83 PHE HBx 1.0 0.0 3.27 31 31 A 85 PHE HA A 85 PHE HBy 1.0 0.0 3.11 32 32 A 85 PHE HA A 85 PHE HBx 1.0 0.0 2.83 33 33 A 86 THR HA A 86 THR HB 1.0 0.0 2.83 34 34 A 48 LEU HA A 87 ALA HA 1.0 0.0 2.83 35 35 A 90 THR HA A 90 THR HB 1.0 0.0 2.80 36 36 A 38 VAL HA A 101 CYS HA 1.0 0.0 3.17 37 37 A 14 SER HA A 14 SER HBy 1.0 0.0 3.20 38 38 A 14 SER HA A 14 SER HBx 1.0 0.0 3.20 39 39 A 16 SER HA A 16 SER HBy 1.0 0.0 3.02 40 40 A 22 SER HA A 22 SER HBy 1.0 0.0 3.23 41 41 A 22 SER HA A 22 SER HBx 1.0 0.0 3.23 42 42 A 47 THR HA A 47 THR HB 1.0 0.0 2.92 43 43 A 55 SER HA A 55 SER HBy 1.0 0.0 3.17 44 44 A 57 THR HA A 57 THR HB 1.0 0.0 2.80 45 45 A 58 SER HA A 58 SER HBx 1.0 0.0 3.30 46 46 A 64 VAL HA A 64 VAL HB 1.0 0.0 2.80 47 47 A 71 HIS HA A 71 HIS HBy 1.0 0.0 2.83 48 48 A 72 ASN HA A 72 ASN HBx 1.0 0.0 2.80 49 49 A 80 SER HA A 80 SER HBy 1.0 0.0 3.27 50 50 A 81 VAL HA A 81 VAL HB 1.0 0.0 3.23 51 51 A 88 THR HA A 88 THR HB 1.0 0.0 2.86 52 52 A 89 SER HA A 89 SER HBx 1.0 0.0 2.86 53 53 A 89 SER HA A 89 SER HBy 1.0 0.0 3.11 54 54 A 86 THR HA A 20 GLN HA 1.0 0.0 2.80 55 55 A 89 SER HA A 46 THR HA 1.0 0.0 2.80 56 56 A 36 TRP HA A 103 ALA HA 1.0 0.0 3.51 57 57 A 85 PHE HA A 51 VAL HA 1.0 0.0 2.80 58 58 A 20 GLN HA A 20 GLN HGx 1.0 0.0 3.92 59 59 A 24 GLU HA A 24 GLU HGy 1.0 0.0 3.79 60 60 A 24 GLU HA A 24 GLU HGx 1.0 0.0 3.79 61 61 A 31 GLU HA A 31 GLU HGx 1.0 0.0 4.26 62 62 A 31 GLU HA A 31 GLU HGy 1.0 0.0 3.39 63 63 A 56 LEU HA A 56 LEU HG 1.0 0.0 4.26 64 64 A 11 VAL HA A 11 VAL HG1% 1.0 0.0 4.25 65 65 A 11 VAL HA A 11 VAL HG2% 1.0 0.0 4.22 66 66 A 30 THR HA A 30 THR HG2% 1.0 0.0 3.82 67 67 A 46 THR HA A 46 THR HG2% 1.0 0.0 4.22 68 68 A 48 LEU HA A 48 LEU HD1% 1.0 0.0 4.62 69 69 A 56 LEU HA A 56 LEU HD1% 1.0 0.0 5.15 70 70 A 56 LEU HA A 56 LEU HD2% 1.0 0.0 5.15 71 71 A 57 THR HA A 57 THR HG2% 1.0 0.0 3.82 72 72 A 63 THR HA A 63 THR HG2% 1.0 0.0 3.91 73 73 A 65 THR HA A 65 THR HG2% 1.0 0.0 3.82 74 74 A 74 VAL HA A 74 VAL HG1% 1.0 0.0 4.35 75 75 A 74 VAL HA A 74 VAL HG2% 1.0 0.0 4.35 76 76 A 82 THR HA A 82 THR HG2% 1.0 0.0 4.31 77 77 A 86 THR HA A 86 THR HG2% 1.0 0.0 4.28 78 78 A 88 THR HA A 88 THR HG2% 1.0 0.0 4.16 79 79 A 89 SER HA A 46 THR HG2% 1.0 0.0 5.12 80 80 A 90 THR HA A 90 THR HG2% 1.0 0.0 3.82 81 81 A 99 ILE HA A 99 ILE HG2% 1.0 0.0 4.19 82 82 A 99 ILE HA A 99 ILE HD1% 1.0 0.0 5.49 83 83 A 47 THR HA A 47 THR HG2% 1.0 0.0 3.82 84 84 A 48 LEU HA A 48 LEU HD2% 1.0 0.0 4.62 85 85 A 64 VAL HA A 64 VAL HG1% 1.0 0.0 4.47 86 86 A 64 VAL HA A 64 VAL HG2% 1.0 0.0 4.47 87 87 A 11 VAL HG1% A 19 PHE HD% 1.0 0.0 3.90 88 88 A 99 ILE HG2% A 99 ILE HD1% 1.0 0.0 6.39 89 89 A 2 THR H A 2 THR HA 1.0 0.0 2.97 90 90 A 2 THR H A 2 THR HG2% 1.0 0.0 2.95 91 91 A 2 THR HA A 3 GLY H 1.0 0.0 3.67 92 92 A 4 SER H A 4 SER HBy 1.0 0.0 4.40 93 93 A 4 SER H A 4 SER HBx 1.0 0.0 4.40 94 94 A 5 CYS H A 4 SER HBy 1.0 0.0 5.90 95 95 A 5 CYS H A 4 SER HBx 1.0 0.0 5.90 96 96 A 5 CYS HA A 6 MET H 1.0 0.0 3.45 97 97 A 6 MET H A 5 CYS HBy 1.0 0.0 3.64 98 98 A 6 MET H A 5 CYS HBx 1.0 0.0 3.64 99 99 A 7 ALA H A 7 ALA HB% 1.0 0.0 3.19 100 100 A 7 ALA H A 6 MET HA 1.0 0.0 3.25 101 101 A 8 VAL H A 8 VAL HB 1.0 0.0 3.20 102 102 A 8 VAL H A 7 ALA HA 1.0 0.0 2.80 103 103 A 7 ALA HB% A 8 VAL H 1.0 0.0 3.45 104 104 A 8 VAL HA A 9 TYR H 1.0 0.0 2.80 105 105 A 11 VAL HA A 11 VAL H 1.0 0.0 3.17 106 106 A 11 VAL H A 11 VAL HB 1.0 0.0 3.00 107 107 A 11 VAL HG2% A 11 VAL H 1.0 0.0 3.39 108 108 A 11 VAL H A 10 SER HA 1.0 0.0 3.22 109 109 A 11 VAL H A 10 SER HBy 1.0 0.0 4.28 110 110 A 11 VAL H A 10 SER HBx 1.0 0.0 4.28 111 111 A 12 GLU H A 12 GLU HBy 1.0 0.0 3.52 112 112 A 12 GLU H A 12 GLU HGy 1.0 0.0 5.90 113 113 A 12 GLU H A 12 GLU HGx 1.0 0.0 5.90 114 114 A 11 VAL HA A 12 GLU H 1.0 0.0 2.97 115 115 A 11 VAL HB A 12 GLU H 1.0 0.0 4.75 116 116 A 11 VAL HG1% A 12 GLU H 1.0 0.0 3.72 117 117 A 13 ASN H A 13 ASN HBy 1.0 0.0 3.77 118 118 A 13 ASN H A 13 ASN HBx 1.0 0.0 3.77 119 119 A 13 ASN H A 12 GLU HA 1.0 0.0 3.88 120 120 A 12 GLU HBy A 13 ASN H 1.0 0.0 3.48 121 121 A 13 ASN H A 12 GLU HGy 1.0 0.0 4.13 122 122 A 13 ASN H A 12 GLU HGx 1.0 0.0 4.13 123 123 A 14 SER H A 14 SER HBy 1.0 0.0 4.00 124 124 A 14 SER H A 14 SER HBx 1.0 0.0 4.00 125 125 A 14 SER H A 13 ASN HA 1.0 0.0 2.80 126 126 A 14 SER H A 13 ASN HBy 1.0 0.0 4.27 127 127 A 14 SER H A 13 ASN HBx 1.0 0.0 4.27 128 128 A 15 TRP HBx A 15 TRP H 1.0 0.0 3.61 129 129 A 14 SER HA A 15 TRP H 1.0 0.0 3.01 130 130 A 16 SER HBy A 16 SER H 1.0 0.0 3.72 131 131 A 16 SER HBx A 16 SER H 1.0 0.0 3.71 132 132 A 15 TRP HA A 16 SER H 1.0 0.0 3.24 133 133 A 15 TRP HBy A 16 SER H 1.0 0.0 5.90 134 134 A 15 TRP HBx A 16 SER H 1.0 0.0 3.89 135 135 A 16 SER HA A 17 GLY H 1.0 0.0 2.80 136 136 A 16 SER HBy A 17 GLY H 1.0 0.0 3.50 137 137 A 16 SER HBx A 17 GLY H 1.0 0.0 4.08 138 138 A 18 GLY H A 17 GLY HAy 1.0 0.0 3.81 139 139 A 18 GLY H A 17 GLY HAx 1.0 0.0 3.81 140 140 A 19 PHE H A 18 GLY HAy 1.0 0.0 3.25 141 141 A 19 PHE H A 18 GLY HAx 1.0 0.0 3.25 142 142 A 20 GLN H A 20 GLN HGy 1.0 0.0 5.17 143 143 A 20 GLN HGx A 20 GLN H 1.0 0.0 4.16 144 144 A 19 PHE HA A 20 GLN H 1.0 0.0 3.31 145 145 A 20 GLN HA A 21 GLY H 1.0 0.0 2.89 146 146 A 20 GLN HGy A 21 GLY H 1.0 0.0 3.32 147 147 A 20 GLN HGx A 21 GLY H 1.0 0.0 4.00 148 148 A 22 SER H A 22 SER HBy 1.0 0.0 4.34 149 149 A 22 SER H A 22 SER HBx 1.0 0.0 4.34 150 150 A 22 SER HA A 23 VAL H 1.0 0.0 2.91 151 151 A 24 GLU H A 24 GLU HBx 1.0 0.0 4.10 152 152 A 24 GLU H A 24 GLU HB% 1.0 0.0 4.10 153 153 A 24 GLU H A 24 GLU HGy 1.0 0.0 5.90 154 154 A 24 GLU H A 24 GLU HGx 1.0 0.0 5.90 155 155 A 24 GLU H A 23 VAL HA 1.0 0.0 2.80 156 156 A 24 GLU H A 23 VAL HB 1.0 0.0 3.84 157 157 A 25 VAL H A 25 VAL HB 1.0 0.0 3.30 158 158 A 25 VAL H A 25 VAL HG2% 1.0 0.0 3.26 159 159 A 24 GLU HA A 25 VAL H 1.0 0.0 2.87 160 160 A 25 VAL H A 24 GLU HBx 1.0 0.0 4.58 161 161 A 25 VAL H A 24 GLU HB% 1.0 0.0 4.58 162 162 A 25 VAL H A 24 GLU HGy 1.0 0.0 4.34 163 163 A 25 VAL H A 24 GLU HGx 1.0 0.0 4.34 164 164 A 25 VAL HA A 26 MET H 1.0 0.0 2.87 165 165 A 25 VAL HB A 26 MET H 1.0 0.0 5.90 166 166 A 26 MET H A 25 VAL HG1% 1.0 0.0 3.56 167 167 A 26 MET HA A 27 ASN H 1.0 0.0 3.04 168 168 A 28 HIS H A 28 HIS HBy 1.0 0.0 3.52 169 169 A 28 HIS H A 27 ASN HA 1.0 0.0 2.97 170 170 A 28 HIS H A 27 ASN HBy 1.0 0.0 5.90 171 171 A 28 HIS H A 27 ASN HBx 1.0 0.0 5.90 172 172 A 29 GLY H A 29 GLY HAy 1.0 0.0 2.96 173 173 A 29 GLY H A 29 GLY HAx 1.0 0.0 2.96 174 174 A 28 HIS HA A 29 GLY H 1.0 0.0 3.75 175 175 A 28 HIS HBx A 29 GLY H 1.0 0.0 3.26 176 176 A 28 HIS HBy A 29 GLY H 1.0 0.0 5.90 177 177 A 30 THR HG2% A 30 THR H 1.0 0.0 3.23 178 178 A 30 THR H A 29 GLY HAy 1.0 0.0 3.15 179 179 A 30 THR H A 29 GLY HAx 1.0 0.0 3.15 180 180 A 31 GLU HGx A 31 GLU H 1.0 0.0 3.45 181 181 A 31 GLU HGy A 31 GLU H 1.0 0.0 3.65 182 182 A 30 THR HA A 31 GLU H 1.0 0.0 3.82 183 183 A 30 THR HG2% A 31 GLU H 1.0 0.0 3.88 184 184 A 33 LEU H A 33 LEU HG 1.0 0.0 5.90 185 185 A 33 LEU H A 32 PRO HA 1.0 0.0 3.14 186 186 A 34 ASN H A 34 ASN HBy 1.0 0.0 3.47 187 187 A 34 ASN H A 34 ASN HBx 1.0 0.0 3.47 188 188 A 34 ASN H A 33 LEU HA 1.0 0.0 2.80 189 189 A 33 LEU HG A 34 ASN H 1.0 0.0 5.90 190 190 A 34 ASN HA A 35 GLY H 1.0 0.0 2.94 191 191 A 36 TRP H A 35 GLY HAy 1.0 0.0 3.74 192 192 A 36 TRP H A 35 GLY HAx 1.0 0.0 3.74 193 193 A 37 ALA H A 37 ALA HB% 1.0 0.0 3.41 194 194 A 36 TRP HA A 37 ALA H 1.0 0.0 3.02 195 195 A 38 VAL HA A 38 VAL H 1.0 0.0 3.18 196 196 A 38 VAL H A 38 VAL HB 1.0 0.0 3.73 197 197 A 37 ALA HB% A 38 VAL H 1.0 0.0 3.25 198 198 A 38 VAL HA A 39 GLN H 1.0 0.0 3.10 199 199 A 38 VAL HB A 39 GLN H 1.0 0.0 5.90 200 200 A 39 GLN HA A 40 TRP H 1.0 0.0 2.82 201 201 A 40 TRP H A 39 GLN HBy 1.0 0.0 3.69 202 202 A 40 TRP H A 39 GLN HBx 1.0 0.0 3.69 203 203 A 41 GLN H A 41 GLN HBy 1.0 0.0 3.86 204 204 A 41 GLN H A 41 GLN HBx 1.0 0.0 3.86 205 205 A 40 TRP HA A 41 GLN H 1.0 0.0 3.43 206 206 A 41 GLN H A 40 TRP HBy 1.0 0.0 4.19 207 207 A 41 GLN H A 40 TRP HBx 1.0 0.0 4.19 208 208 A 42 PRO HA A 43 GLY H 1.0 0.0 3.20 209 209 A 45 GLY H A 45 GLY HAy 1.0 0.0 3.26 210 210 A 45 GLY H A 45 GLY HAx 1.0 0.0 3.26 211 211 A 45 GLY H A 44 GLY HAy 1.0 0.0 3.58 212 212 A 45 GLY H A 44 GLY HAx 1.0 0.0 3.58 213 213 A 46 THR HG2% A 46 THR H 1.0 0.0 3.74 214 214 A 47 THR HB A 47 THR H 1.0 0.0 3.39 215 215 A 47 THR HG2% A 47 THR H 1.0 0.0 3.97 216 216 A 46 THR HA A 47 THR H 1.0 0.0 2.80 217 217 A 47 THR H A 46 THR HB 1.0 0.0 4.14 218 218 A 46 THR HG2% A 47 THR H 1.0 0.0 3.16 219 219 A 48 LEU H A 48 LEU HG 1.0 0.0 5.90 220 220 A 48 LEU H A 48 LEU HD2% 1.0 0.0 4.04 221 221 A 48 LEU H A 48 LEU HD1% 1.0 0.0 4.04 222 222 A 47 THR HA A 48 LEU H 1.0 0.0 2.80 223 223 A 47 THR HB A 48 LEU H 1.0 0.0 4.58 224 224 A 47 THR HG2% A 48 LEU H 1.0 0.0 3.33 225 225 A 50 GLY H A 50 GLY HAy 1.0 0.0 3.25 226 226 A 50 GLY H A 50 GLY HAx 1.0 0.0 3.25 227 227 A 50 GLY H A 49 GLY HAy 1.0 0.0 3.67 228 228 A 50 GLY H A 49 GLY HAx 1.0 0.0 3.67 229 229 A 51 VAL H A 51 VAL HB 1.0 0.0 3.04 230 230 A 51 VAL H A 50 GLY HAy 1.0 0.0 3.07 231 231 A 51 VAL H A 50 GLY HAx 1.0 0.0 3.07 232 232 A 52 TRP HBy A 52 TRP H 1.0 0.0 4.09 233 233 A 52 TRP HBx A 52 TRP H 1.0 0.0 3.65 234 234 A 51 VAL HA A 52 TRP H 1.0 0.0 3.21 235 235 A 51 VAL HB A 52 TRP H 1.0 0.0 4.02 236 236 A 52 TRP H A 51 VAL HG1% 1.0 0.0 3.31 237 237 A 53 ASN H A 53 ASN HA 1.0 0.0 2.98 238 238 A 52 TRP HA A 53 ASN H 1.0 0.0 3.02 239 239 A 52 TRP HBy A 53 ASN H 1.0 0.0 3.76 240 240 A 52 TRP HBx A 53 ASN H 1.0 0.0 4.06 241 241 A 54 GLY H A 53 ASN HBy 1.0 0.0 5.13 242 242 A 54 GLY H A 53 ASN HBx 1.0 0.0 5.13 243 243 A 56 LEU HG A 56 LEU H 1.0 0.0 5.90 244 244 A 56 LEU HD2% A 56 LEU H 1.0 0.0 5.90 245 245 A 56 LEU HD1% A 56 LEU H 1.0 0.0 5.90 246 246 A 55 SER HA A 56 LEU H 1.0 0.0 2.80 247 247 A 56 LEU H A 55 SER HBy 1.0 0.0 5.90 248 248 A 56 LEU H A 55 SER HBx 1.0 0.0 5.90 249 249 A 57 THR HB A 57 THR H 1.0 0.0 4.28 250 250 A 57 THR HG2% A 57 THR H 1.0 0.0 3.20 251 251 A 56 LEU HA A 57 THR H 1.0 0.0 2.80 252 252 A 56 LEU HG A 57 THR H 1.0 0.0 5.90 253 253 A 56 LEU HD2% A 57 THR H 1.0 0.0 5.90 254 254 A 56 LEU HD1% A 57 THR H 1.0 0.0 5.90 255 255 A 58 SER H A 58 SER HBy 1.0 0.0 3.79 256 256 A 58 SER H A 58 SER HBx 1.0 0.0 3.79 257 257 A 57 THR HA A 58 SER H 1.0 0.0 2.80 258 258 A 57 THR HB A 58 SER H 1.0 0.0 3.37 259 259 A 58 SER HA A 59 GLY H 1.0 0.0 2.87 260 260 A 61 ASP H A 61 ASP HA 1.0 0.0 3.29 261 261 A 61 ASP H A 61 ASP HBy 1.0 0.0 3.81 262 262 A 61 ASP H A 61 ASP HBx 1.0 0.0 3.81 263 263 A 61 ASP H A 60 SER HBy 1.0 0.0 4.23 264 264 A 61 ASP H A 60 SER HBx 1.0 0.0 4.23 265 265 A 62 GLY H A 62 GLY HAy 1.0 0.0 3.28 266 266 A 62 GLY H A 62 GLY HAx 1.0 0.0 3.28 267 267 A 61 ASP HA A 62 GLY H 1.0 0.0 3.55 268 268 A 62 GLY H A 61 ASP HBy 1.0 0.0 5.32 269 269 A 62 GLY H A 61 ASP HBx 1.0 0.0 5.32 270 270 A 63 THR HB A 63 THR H 1.0 0.0 3.84 271 271 A 63 THR HG2% A 63 THR H 1.0 0.0 3.37 272 272 A 63 THR HB A 64 VAL H 1.0 0.0 3.25 273 273 A 63 THR HG2% A 64 VAL H 1.0 0.0 3.87 274 274 A 65 THR HB A 65 THR H 1.0 0.0 3.35 275 275 A 65 THR HG2% A 65 THR H 1.0 0.0 4.34 276 276 A 64 VAL HA A 65 THR H 1.0 0.0 2.90 277 277 A 64 VAL HB A 65 THR H 1.0 0.0 3.32 278 278 A 66 VAL H A 66 VAL HB 1.0 0.0 3.72 279 279 A 66 VAL H A 66 VAL HG1% 1.0 0.0 5.72 280 280 A 65 THR HA A 66 VAL H 1.0 0.0 3.04 281 281 A 65 THR HG2% A 66 VAL H 1.0 0.0 3.55 282 282 A 66 VAL HA A 67 ARG H 1.0 0.0 2.83 283 283 A 66 VAL HB A 67 ARG H 1.0 0.0 5.90 284 284 A 66 VAL HG1% A 67 ARG H 1.0 0.0 3.57 285 285 A 67 ARG HA A 68 ASN H 1.0 0.0 3.22 286 286 A 69 VAL H A 69 VAL HB 1.0 0.0 3.68 287 287 A 69 VAL H A 69 VAL HG1% 1.0 0.0 5.90 288 288 A 70 ASP HBy A 70 ASP H 1.0 0.0 3.80 289 289 A 70 ASP HBx A 70 ASP H 1.0 0.0 3.73 290 290 A 70 ASP H A 69 VAL HA 1.0 0.0 3.32 291 291 A 69 VAL HB A 70 ASP H 1.0 0.0 4.55 292 292 A 69 VAL HG1% A 70 ASP H 1.0 0.0 3.75 293 293 A 69 VAL HG1% A 72 ASN H 1.0 0.0 3.38 294 294 A 74 VAL H A 74 VAL HB 1.0 0.0 3.47 295 295 A 78 ASP HA A 78 ASP H 1.0 0.0 3.03 296 296 A 78 ASP H A 78 ASP HBy 1.0 0.0 4.43 297 297 A 78 ASP H A 78 ASP HBx 1.0 0.0 4.43 298 298 A 79 GLY H A 79 GLY HAy 1.0 0.0 3.27 299 299 A 79 GLY H A 79 GLY HAx 1.0 0.0 3.27 300 300 A 78 ASP HA A 79 GLY H 1.0 0.0 3.58 301 301 A 79 GLY H A 78 ASP HBy 1.0 0.0 5.90 302 302 A 79 GLY H A 78 ASP HBx 1.0 0.0 5.90 303 303 A 80 SER H A 80 SER HBy 1.0 0.0 3.99 304 304 A 80 SER H A 80 SER HBx 1.0 0.0 3.99 305 305 A 79 GLY HAy A 80 SER H 1.0 0.0 3.22 306 306 A 79 GLY HAx A 80 SER H 1.0 0.0 3.22 307 307 A 25 VAL HG2% A 81 VAL H 1.0 0.0 5.12 308 308 A 80 SER HA A 81 VAL H 1.0 0.0 3.19 309 309 A 81 VAL H A 80 SER HBy 1.0 0.0 4.20 310 310 A 81 VAL H A 80 SER HBx 1.0 0.0 4.20 311 311 A 82 THR HB A 82 THR H 1.0 0.0 3.36 312 312 A 82 THR HG2% A 82 THR H 1.0 0.0 3.48 313 313 A 81 VAL HA A 82 THR H 1.0 0.0 3.51 314 314 A 81 VAL HB A 82 THR H 1.0 0.0 3.07 315 315 A 82 THR HA A 83 PHE H 1.0 0.0 2.89 316 316 A 82 THR HB A 83 PHE H 1.0 0.0 4.16 317 317 A 82 THR HG2% A 83 PHE H 1.0 0.0 3.39 318 318 A 83 PHE HA A 84 GLY H 1.0 0.0 3.34 319 319 A 84 GLY H A 83 PHE HBy 1.0 0.0 3.83 320 320 A 84 GLY H A 83 PHE HBx 1.0 0.0 3.83 321 321 A 85 PHE HBy A 85 PHE H 1.0 0.0 4.17 322 322 A 85 PHE HBx A 85 PHE H 1.0 0.0 3.79 323 323 A 86 THR HB A 86 THR H 1.0 0.0 3.90 324 324 A 86 THR HG2% A 86 THR H 1.0 0.0 3.60 325 325 A 85 PHE HA A 86 THR H 1.0 0.0 2.91 326 326 A 85 PHE HBy A 86 THR H 1.0 0.0 3.21 327 327 A 85 PHE HBx A 86 THR H 1.0 0.0 3.73 328 328 A 87 ALA HA A 87 ALA H 1.0 0.0 3.14 329 329 A 87 ALA H A 87 ALA HB% 1.0 0.0 3.25 330 330 A 86 THR HA A 87 ALA H 1.0 0.0 3.38 331 331 A 86 THR HB A 87 ALA H 1.0 0.0 4.03 332 332 A 86 THR HG2% A 87 ALA H 1.0 0.0 3.86 333 333 A 88 THR HB A 88 THR H 1.0 0.0 4.00 334 334 A 88 THR HG2% A 88 THR H 1.0 0.0 3.38 335 335 A 87 ALA HA A 88 THR H 1.0 0.0 3.54 336 336 A 87 ALA HB% A 88 THR H 1.0 0.0 3.04 337 337 A 89 SER HBx A 89 SER H 1.0 0.0 3.64 338 338 A 89 SER HBy A 89 SER H 1.0 0.0 3.78 339 339 A 88 THR HA A 89 SER H 1.0 0.0 2.89 340 340 A 88 THR HB A 89 SER H 1.0 0.0 3.38 341 341 A 88 THR HG2% A 89 SER H 1.0 0.0 3.49 342 342 A 90 THR HG2% A 90 THR H 1.0 0.0 3.77 343 343 A 89 SER HA A 90 THR H 1.0 0.0 3.29 344 344 A 89 SER HBx A 90 THR H 1.0 0.0 4.22 345 345 A 89 SER HBy A 90 THR H 1.0 0.0 5.29 346 346 A 90 THR HG2% A 91 GLY H 1.0 0.0 5.90 347 347 A 92 ASN H A 92 ASN HBy 1.0 0.0 4.17 348 348 A 92 ASN H A 92 ASN HBx 1.0 0.0 4.17 349 349 A 92 ASN HA A 93 ASP H 1.0 0.0 2.86 350 350 A 93 ASP H A 92 ASN HBy 1.0 0.0 4.81 351 351 A 93 ASP H A 92 ASN HBx 1.0 0.0 4.81 352 352 A 93 ASP HA A 94 PHE H 1.0 0.0 3.92 353 353 A 96 VAL H A 96 VAL HB 1.0 0.0 3.67 354 354 A 96 VAL H A 95 PRO HA 1.0 0.0 3.09 355 355 A 97 ASP H A 97 ASP HA 1.0 0.0 3.29 356 356 A 97 ASP H A 96 VAL HA 1.0 0.0 3.88 357 357 A 96 VAL HB A 97 ASP H 1.0 0.0 3.45 358 358 A 98 SER H A 98 SER HA 1.0 0.0 3.24 359 359 A 98 SER H A 98 SER HBy 1.0 0.0 3.66 360 360 A 98 SER H A 98 SER HBx 1.0 0.0 3.66 361 361 A 97 ASP HA A 98 SER H 1.0 0.0 3.30 362 362 A 99 ILE H A 99 ILE HB 1.0 0.0 4.00 363 363 A 99 ILE HG2% A 99 ILE H 1.0 0.0 3.11 364 364 A 98 SER HA A 99 ILE H 1.0 0.0 2.86 365 365 A 99 ILE H A 98 SER HBy 1.0 0.0 3.67 366 366 A 99 ILE H A 98 SER HBx 1.0 0.0 3.67 367 367 A 99 ILE HA A 100 GLY H 1.0 0.0 3.14 368 368 A 99 ILE HB A 100 GLY H 1.0 0.0 5.07 369 369 A 99 ILE HG2% A 100 GLY H 1.0 0.0 3.96 370 370 A 101 CYS H A 101 CYS HBy 1.0 0.0 3.89 371 371 A 101 CYS H A 101 CYS HBx 1.0 0.0 3.89 372 372 A 101 CYS H A 100 GLY HAy 1.0 0.0 3.37 373 373 A 101 CYS H A 100 GLY HAx 1.0 0.0 3.37 374 374 A 102 VAL H A 102 VAL HB 1.0 0.0 4.04 375 375 A 102 VAL H A 102 VAL HG2% 1.0 0.0 3.67 376 376 A 101 CYS HA A 102 VAL H 1.0 0.0 2.95 377 377 A 102 VAL H A 101 CYS HBy 1.0 0.0 4.05 378 378 A 102 VAL H A 101 CYS HBx 1.0 0.0 4.05 379 379 A 103 ALA H A 103 ALA HB% 1.0 0.0 3.03 380 380 A 103 ALA H A 102 VAL HA 1.0 0.0 2.80 381 381 A 102 VAL HB A 103 ALA H 1.0 0.0 3.33 382 382 A 8 VAL H A 24 GLU H 1.0 0.0 3.44 383 383 A 13 ASN H A 20 GLN H 1.0 0.0 3.09 384 384 A 15 TRP H A 18 GLY H 1.0 0.0 4.34 385 385 A 17 GLY H A 18 GLY H 1.0 0.0 3.03 386 386 A 19 PHE HD% A 19 PHE H 1.0 0.0 3.88 387 387 A 19 PHE HD% A 20 GLN H 1.0 0.0 3.94 388 388 A 21 GLY H A 85 PHE H 1.0 0.0 3.81 389 389 A 11 VAL HA A 22 SER H 1.0 0.0 3.58 390 390 A 23 VAL H A 83 PHE H 1.0 0.0 3.38 391 391 A 25 VAL H A 81 VAL H 1.0 0.0 3.50 392 392 A 82 THR HA A 25 VAL H 1.0 0.0 3.48 393 393 A 7 ALA HA A 26 MET H 1.0 0.0 3.76 394 394 A 6 MET H A 26 MET H 1.0 0.0 3.60 395 395 A 80 SER HA A 27 ASN H 1.0 0.0 4.02 396 396 A 28 HIS H A 29 GLY H 1.0 0.0 3.14 397 397 A 30 THR H A 31 GLU H 1.0 0.0 3.03 398 398 A 36 TRP H A 68 ASN H 1.0 0.0 4.32 399 399 A 38 VAL H A 38 VAL HG1% 1.0 0.0 4.56 400 400 A 38 VAL H A 38 VAL HG2% 1.0 0.0 4.56 401 401 A 65 THR HA A 40 TRP H 1.0 0.0 4.12 402 402 A 45 GLY H A 46 THR H 1.0 0.0 3.39 403 403 A 47 THR H A 87 ALA HB% 1.0 0.0 3.74 404 404 A 87 ALA HA A 49 GLY H 1.0 0.0 3.06 405 405 A 50 GLY H A 49 GLY H 1.0 0.0 3.52 406 406 A 52 TRP H A 84 GLY H 1.0 0.0 4.24 407 407 A 53 ASN H A 54 GLY H 1.0 0.0 3.30 408 408 A 67 ARG H A 55 SER H 1.0 0.0 3.49 409 409 A 57 THR H A 65 THR H 1.0 0.0 3.71 410 410 A 66 VAL HA A 57 THR H 1.0 0.0 3.53 411 411 A 64 VAL HA A 59 GLY H 1.0 0.0 3.73 412 412 A 62 GLY H A 63 THR H 1.0 0.0 3.20 413 413 A 61 ASP H A 62 GLY H 1.0 0.0 3.19 414 414 A 69 VAL H A 69 VAL HG2% 1.0 0.0 3.63 415 415 A 70 ASP H A 69 VAL HG2% 1.0 0.0 5.90 416 416 A 74 VAL H A 73 ARG H 1.0 0.0 3.43 417 417 A 78 ASP H A 79 GLY H 1.0 0.0 3.53 418 418 A 83 PHE H A 83 PHE HD% 1.0 0.0 3.90 419 419 A 84 GLY H A 83 PHE HD% 1.0 0.0 3.78 420 420 A 85 PHE H A 85 PHE HD% 1.0 0.0 3.69 421 421 A 86 THR H A 85 PHE HD% 1.0 0.0 3.76 422 422 A 19 PHE H A 87 ALA H 1.0 0.0 3.39 423 423 A 90 THR H A 91 GLY H 1.0 0.0 3.40 424 424 A 93 ASP H A 94 PHE H 1.0 0.0 3.36 425 425 A 92 ASN HA A 94 PHE H 1.0 0.0 3.97 426 426 A 96 VAL H A 97 ASP H 1.0 0.0 3.37 427 427 A 96 VAL H A 96 VAL HG21 1.0 0.0 3.01 428 428 A 97 ASP H A 96 VAL HG21 1.0 0.0 3.79 429 429 A 102 VAL H A 102 VAL HG1% 1.0 0.0 3.67 430 430 A 99 ILE HD1% A 99 ILE H 1.0 0.0 3.57 431 431 A 8 VAL H A 8 VAL HG1% 1.0 0.0 5.90 432 432 A 8 VAL H A 8 VAL HG2% 1.0 0.0 5.90 433 433 A 59 GLY H A 63 THR H 1.0 0.0 4.24 434 434 A 25 VAL HG2% A 36 TRP HE1 1.0 0.0 4.23 435 435 A 56 LEU HA A 67 ARG H 1.0 0.0 3.77 436 436 A 72 ASN H A 71 HIS H 1.0 0.0 3.78 437 437 A 11 VAL HG1% A 20 GLN H 1.0 0.0 4.10 438 438 A 11 VAL HG1% A 11 VAL H 1.0 0.0 5.90 439 439 A 26 MET HA A 81 VAL H 1.0 0.0 4.64 440 440 A 47 THR H A 88 THR H 1.0 0.0 3.43 441 441 A 46 THR HA A 90 THR H 1.0 0.0 5.38 442 442 A 89 SER HA A 47 THR H 1.0 0.0 4.71 443 443 A 48 LEU HA A 88 THR H 1.0 0.0 4.33 444 444 A 86 THR HG2% A 49 GLY H 1.0 0.0 3.28 445 445 A 86 THR HG2% A 50 GLY H 1.0 0.0 3.71 446 446 A 85 PHE HA A 52 TRP H 1.0 0.0 4.15 447 447 A 78 ASP H A 77 PRO HA 1.0 0.0 3.07 448 448 A 79 GLY H A 77 PRO HA 1.0 0.0 5.90 449 449 A 8 VAL HB A 9 TYR H 1.0 0.0 5.90 450 450 A 66 VAL H A 66 VAL HG2% 1.0 0.0 3.40 451 451 A 96 VAL HG21 A 44 GLY H 1.0 0.0 3.84 452 452 A 3 GLY H A 4 SER H 1.0 0.0 3.61 453 453 A 8 VAL H A 25 VAL HA 1.0 0.0 3.73 454 454 A 12 GLU H A 13 ASN H 1.0 0.0 4.14 455 455 A 11 VAL HG1% A 13 ASN H 1.0 0.0 3.72 456 456 A 16 SER HA A 18 GLY H 1.0 0.0 3.73 457 457 A 88 THR HA A 19 PHE H 1.0 0.0 3.70 458 458 A 86 THR HA A 21 GLY H 1.0 0.0 3.61 459 459 A 8 VAL HB A 24 GLU H 1.0 0.0 3.61 460 460 A 24 GLU H A 9 TYR HA 1.0 0.0 3.65 461 461 A 27 ASN HA A 29 GLY H 1.0 0.0 3.64 462 462 A 34 ASN HA A 36 TRP H 1.0 0.0 4.55 463 463 A 103 ALA HA A 37 ALA H 1.0 0.0 3.89 464 464 A 38 VAL H A 66 VAL HB 1.0 0.0 3.83 465 465 A 38 VAL H A 66 VAL H 1.0 0.0 3.55 466 466 A 67 ARG HA A 38 VAL H 1.0 0.0 4.11 467 467 A 101 CYS HA A 39 GLN H 1.0 0.0 3.95 468 468 A 39 GLN H A 102 VAL H 1.0 0.0 4.59 469 469 A 43 GLY H A 46 THR HB 1.0 0.0 4.21 470 470 A 50 GLY H A 86 THR H 1.0 0.0 4.05 471 471 A 61 ASP H A 63 THR H 1.0 0.0 3.95 472 472 A 40 TRP H A 64 VAL H 1.0 0.0 4.14 473 473 A 58 SER HA A 65 THR H 1.0 0.0 4.07 474 474 A 38 VAL HB A 66 VAL H 1.0 0.0 4.24 475 475 A 39 GLN HA A 66 VAL H 1.0 0.0 4.46 476 476 A 37 ALA HA A 68 ASN H 1.0 0.0 4.35 477 477 A 70 ASP HA A 72 ASN H 1.0 0.0 4.27 478 478 A 69 VAL HB A 72 ASN H 1.0 0.0 4.80 479 479 A 72 ASN H A 73 ARG H 1.0 0.0 2.90 480 480 A 24 GLU HA A 83 PHE H 1.0 0.0 3.69 481 481 A 22 SER HA A 85 PHE H 1.0 0.0 4.29 482 482 A 51 VAL HA A 86 THR H 1.0 0.0 3.71 483 483 A 20 GLN HA A 87 ALA H 1.0 0.0 3.31 484 484 A 90 THR H A 92 ASN H 1.0 0.0 3.96 485 485 A 91 GLY H A 92 ASN H 1.0 0.0 2.93 486 486 A 38 VAL HA A 102 VAL H 1.0 0.0 3.67 487 487 A 37 ALA H A 102 VAL H 1.0 0.0 3.67 488 488 A 11 VAL HG2% A 9 TYR HE% 1.0 0.0 3.90 489 489 A 25 VAL HG1% A 36 TRP HZ2 1.0 0.0 3.90 490 490 A 40 TRP HZ2 A 48 LEU HD1% 1.0 0.0 3.90 491 490 A 40 TRP HZ2 A 48 LEU HD2% 1.0 0.0 3.90 492 491 A 69 VAL HG2% A 71 HIS HD2 1.0 0.0 3.90 493 492 A 69 VAL HG2% A 71 HIS HE1 1.0 0.0 3.90 494 493 A 5 CYS SG A 101 CYS SG 1.0 0.0 2.50 495 494 A 5 CYS SG A 101 CYS CB 1.0 0.0 3.50 496 495 A 101 CYS SG A 5 CYS CB 1.0 0.0 3.50 497 496 A 4 SER H A 3 GLY HAy 1.0 0.0 3.19 498 496 A 4 SER H A 3 GLY HAx 1.0 0.0 3.19 499 497 A 4 SER H A 4 SER HBy 1.0 0.0 3.68 500 497 A 4 SER H A 4 SER HBx 1.0 0.0 3.68 501 498 A 6 MET H A 5 CYS HBy 1.0 0.0 3.21 502 498 A 6 MET H A 5 CYS HBx 1.0 0.0 3.21 503 499 A 6 MET H A 6 MET HB2 1.0 0.0 4.09 504 499 A 6 MET H A 6 MET HBy 1.0 0.0 4.09 505 500 A 6 MET H A 26 MET HGx 1.0 0.0 3.43 506 500 A 6 MET H A 26 MET HGy 1.0 0.0 3.43 507 501 A 7 ALA H A 6 MET HB2 1.0 0.0 4.17 508 501 A 7 ALA H A 6 MET HBy 1.0 0.0 4.17 509 502 A 7 ALA H A 100 GLY HAy 1.0 0.0 3.61 510 502 A 7 ALA H A 100 GLY HAx 1.0 0.0 3.61 511 503 A 7 ALA HB% A 38 VAL HG2% 1.0 0.0 3.89 512 503 A 7 ALA HB% A 38 VAL HG1% 1.0 0.0 3.89 513 504 A 8 VAL H A 24 GLU HB% 1.0 0.0 3.69 514 504 A 8 VAL H A 24 GLU HBx 1.0 0.0 3.69 515 505 A 9 TYR H A 8 VAL HG2% 1.0 0.0 4.05 516 505 A 9 TYR H A 8 VAL HG1% 1.0 0.0 4.05 517 506 A 24 GLU H A 8 VAL HG2% 1.0 0.0 4.20 518 506 A 24 GLU H A 8 VAL HG1% 1.0 0.0 4.20 519 507 A 9 TYR H A 9 TYR HBy 1.0 0.0 3.25 520 507 A 9 TYR H A 9 TYR HBx 1.0 0.0 3.25 521 508 A 9 TYR HD% A 23 VAL HG1% 1.0 0.0 3.89 522 508 A 9 TYR HD% A 23 VAL HG21 1.0 0.0 3.89 523 509 A 11 VAL H A 10 SER HBy 1.0 0.0 3.77 524 509 A 11 VAL H A 10 SER HBx 1.0 0.0 3.77 525 510 A 11 VAL HA A 21 GLY HA2 1.0 0.0 2.82 526 510 A 11 VAL HA A 21 GLY HAx 1.0 0.0 2.82 527 511 A 12 GLU H A 21 GLY HA2 1.0 0.0 3.74 528 511 A 12 GLU H A 21 GLY HAx 1.0 0.0 3.74 529 512 A 13 ASN H A 12 GLU HGy 1.0 0.0 3.66 530 512 A 13 ASN H A 12 GLU HGx 1.0 0.0 3.66 531 513 A 13 ASN H A 13 ASN HBx 1.0 0.0 3.34 532 513 A 13 ASN H A 13 ASN HBy 1.0 0.0 3.34 533 514 A 13 ASN H A 20 GLN HBy 1.0 0.0 3.57 534 514 A 13 ASN H A 20 GLN HBx 1.0 0.0 3.57 535 515 A 14 SER H A 13 ASN HBx 1.0 0.0 3.57 536 515 A 14 SER H A 13 ASN HBy 1.0 0.0 3.57 537 516 A 14 SER H A 14 SER HBy 1.0 0.0 3.41 538 516 A 14 SER H A 14 SER HBx 1.0 0.0 3.41 539 517 A 14 SER HA A 14 SER HBy 1.0 0.0 2.84 540 517 A 14 SER HA A 14 SER HBx 1.0 0.0 2.84 541 518 A 15 TRP H A 14 SER HBy 1.0 0.0 3.81 542 518 A 15 TRP H A 14 SER HBx 1.0 0.0 3.81 543 519 A 15 TRP H A 19 PHE HBy 1.0 0.0 4.24 544 519 A 15 TRP H A 19 PHE HBx 1.0 0.0 4.24 545 520 A 15 TRP HE1 A 18 GLY HAy 1.0 0.0 4.29 546 520 A 15 TRP HE1 A 18 GLY HAx 1.0 0.0 4.29 547 521 A 18 GLY H A 17 GLY HAy 1.0 0.0 3.25 548 521 A 18 GLY H A 17 GLY HAx 1.0 0.0 3.25 549 522 A 88 THR HA A 18 GLY HAy 1.0 0.0 3.18 550 522 A 88 THR HA A 18 GLY HAx 1.0 0.0 3.18 551 523 A 89 SER H A 18 GLY HAy 1.0 0.0 3.99 552 523 A 89 SER H A 18 GLY HAx 1.0 0.0 3.99 553 524 A 19 PHE H A 19 PHE HBy 1.0 0.0 4.10 554 524 A 19 PHE H A 19 PHE HBx 1.0 0.0 4.10 555 525 A 20 GLN H A 19 PHE HBy 1.0 0.0 3.19 556 525 A 20 GLN H A 19 PHE HBx 1.0 0.0 3.19 557 526 A 20 GLN H A 20 GLN HBy 1.0 0.0 3.56 558 526 A 20 GLN H A 20 GLN HBx 1.0 0.0 3.56 559 527 A 21 GLY H A 20 GLN HBy 1.0 0.0 4.69 560 527 A 21 GLY H A 20 GLN HBx 1.0 0.0 4.69 561 528 A 22 SER H A 21 GLY HA2 1.0 0.0 2.89 562 528 A 22 SER H A 21 GLY HAx 1.0 0.0 2.89 563 529 A 22 SER H A 22 SER HBy 1.0 0.0 3.62 564 529 A 22 SER H A 22 SER HBx 1.0 0.0 3.62 565 530 A 22 SER HA A 22 SER HBy 1.0 0.0 2.80 566 530 A 22 SER HA A 22 SER HBx 1.0 0.0 2.80 567 531 A 23 VAL H A 22 SER HBy 1.0 0.0 4.41 568 531 A 23 VAL H A 22 SER HBx 1.0 0.0 4.41 569 532 A 23 VAL H A 23 VAL HG1% 1.0 0.0 3.65 570 532 A 23 VAL H A 23 VAL HG21 1.0 0.0 3.65 571 533 A 23 VAL H A 84 GLY HA2 1.0 0.0 3.52 572 533 A 23 VAL H A 84 GLY HAy 1.0 0.0 3.52 573 534 A 24 GLU H A 23 VAL HG1% 1.0 0.0 5.27 574 534 A 24 GLU H A 23 VAL HG21 1.0 0.0 5.27 575 535 A 83 PHE H A 23 VAL HG1% 1.0 0.0 4.45 576 535 A 83 PHE H A 23 VAL HG21 1.0 0.0 4.45 577 536 A 24 GLU H A 24 GLU HB% 1.0 0.0 3.58 578 536 A 24 GLU H A 24 GLU HBx 1.0 0.0 3.58 579 537 A 25 VAL H A 24 GLU HGy 1.0 0.0 3.69 580 537 A 25 VAL H A 24 GLU HGx 1.0 0.0 3.69 581 538 A 26 MET H A 26 MET HB2 1.0 0.0 3.44 582 538 A 26 MET H A 26 MET HBy 1.0 0.0 3.44 583 539 A 27 ASN H A 26 MET HB2 1.0 0.0 4.27 584 539 A 27 ASN H A 26 MET HBy 1.0 0.0 4.27 585 540 A 27 ASN H A 80 SER HBy 1.0 0.0 4.12 586 540 A 27 ASN H A 80 SER HBx 1.0 0.0 4.12 587 541 A 79 GLY H A 27 ASN HBx 1.0 0.0 4.05 588 541 A 79 GLY H A 27 ASN HBy 1.0 0.0 4.05 589 542 A 31 GLU H A 29 GLY HAy 1.0 0.0 3.66 590 542 A 31 GLU H A 29 GLY HAx 1.0 0.0 3.66 591 543 A 31 GLU HA A 31 GLU HBx 1.0 0.0 3.02 592 543 A 31 GLU HA A 31 GLU HB% 1.0 0.0 3.02 593 544 A 31 GLU HA A 32 PRO HDy 1.0 0.0 2.93 594 544 A 31 GLU HA A 32 PRO HDx 1.0 0.0 2.93 595 545 A 33 LEU H A 33 LEU HD1% 1.0 0.0 5.84 596 545 A 33 LEU H A 33 LEU HD21 1.0 0.0 5.84 597 546 A 33 LEU HG A 33 LEU HBy 1.0 0.0 2.87 598 546 A 33 LEU HG A 33 LEU HBx 1.0 0.0 2.87 599 547 A 34 ASN H A 33 LEU HBy 1.0 0.0 4.18 600 547 A 34 ASN H A 33 LEU HBx 1.0 0.0 4.18 601 548 A 34 ASN H A 33 LEU HD1% 1.0 0.0 3.50 602 548 A 34 ASN H A 33 LEU HD21 1.0 0.0 3.50 603 549 A 35 GLY H A 34 ASN HBx 1.0 0.0 4.28 604 549 A 35 GLY H A 34 ASN HBy 1.0 0.0 4.28 605 550 A 36 TRP H A 35 GLY HAy 1.0 0.0 3.24 606 550 A 36 TRP H A 35 GLY HAx 1.0 0.0 3.24 607 551 A 37 ALA H A 36 TRP HBy 1.0 0.0 3.71 608 551 A 37 ALA H A 36 TRP HBx 1.0 0.0 3.71 609 552 A 36 TRP HE1 A 81 VAL HG1% 1.0 0.0 3.75 610 552 A 36 TRP HE1 A 81 VAL HG2% 1.0 0.0 3.75 611 553 A 40 TRP H A 64 VAL HG2% 1.0 0.0 3.61 612 553 A 40 TRP H A 64 VAL HG1% 1.0 0.0 3.61 613 554 A 40 TRP HA A 40 TRP HBy 1.0 0.0 2.89 614 554 A 40 TRP HA A 40 TRP HBx 1.0 0.0 2.89 615 555 A 41 GLN H A 40 TRP HBy 1.0 0.0 3.65 616 555 A 41 GLN H A 40 TRP HBx 1.0 0.0 3.65 617 556 A 40 TRP HZ2 A 64 VAL HG2% 1.0 0.0 3.89 618 556 A 40 TRP HZ2 A 64 VAL HG1% 1.0 0.0 3.89 619 557 A 41 GLN H A 41 GLN HBx 1.0 0.0 3.39 620 557 A 41 GLN H A 41 GLN HBy 1.0 0.0 3.39 621 558 A 41 GLN HA A 42 PRO HDy 1.0 0.0 3.42 622 558 A 41 GLN HA A 42 PRO HDx 1.0 0.0 3.42 623 559 A 44 GLY H A 43 GLY HAy 1.0 0.0 3.12 624 559 A 44 GLY H A 43 GLY HAx 1.0 0.0 3.12 625 560 A 96 VAL HG1% A 43 GLY HAy 1.0 0.0 4.40 626 560 A 43 GLY HAx A 96 VAL HG1% 1.0 0.0 4.40 627 561 A 96 VAL HG21 A 43 GLY HAy 1.0 0.0 6.69 628 561 A 96 VAL HG21 A 43 GLY HAx 1.0 0.0 6.69 629 562 A 44 GLY H A 44 GLY HAy 1.0 0.0 2.75 630 562 A 44 GLY H A 44 GLY HAx 1.0 0.0 2.75 631 563 A 45 GLY H A 44 GLY HAy 1.0 0.0 2.93 632 563 A 45 GLY H A 44 GLY HAx 1.0 0.0 2.93 633 564 A 46 THR H A 44 GLY HAy 1.0 0.0 3.88 634 564 A 46 THR H A 44 GLY HAx 1.0 0.0 3.88 635 565 A 46 THR H A 45 GLY HAy 1.0 0.0 3.35 636 565 A 46 THR H A 45 GLY HAx 1.0 0.0 3.35 637 566 A 92 ASN H A 45 GLY HAy 1.0 0.0 3.58 638 566 A 92 ASN H A 45 GLY HAx 1.0 0.0 3.58 639 567 A 48 LEU H A 48 LEU HD1% 1.0 0.0 3.15 640 567 A 48 LEU H A 48 LEU HD2% 1.0 0.0 3.15 641 568 A 49 GLY H A 48 LEU HD1% 1.0 0.0 3.32 642 568 A 49 GLY H A 48 LEU HD2% 1.0 0.0 3.32 643 569 A 48 LEU HD2% A 64 VAL HG2% 1.0 0.0 6.45 644 569 A 48 LEU HD1% A 64 VAL HG2% 1.0 0.0 6.45 645 569 A 64 VAL HG1% A 48 LEU HD1% 1.0 0.0 6.45 646 569 A 48 LEU HD2% A 64 VAL HG1% 1.0 0.0 6.45 647 570 A 49 GLY H A 49 GLY HAy 1.0 0.0 2.94 648 570 A 49 GLY H A 49 GLY HAx 1.0 0.0 2.94 649 571 A 50 GLY H A 49 GLY HAy 1.0 0.0 2.96 650 571 A 50 GLY H A 49 GLY HAx 1.0 0.0 2.96 651 572 A 50 GLY H A 50 GLY HAy 1.0 0.0 2.80 652 572 A 50 GLY H A 50 GLY HAx 1.0 0.0 2.80 653 573 A 51 VAL H A 50 GLY HAy 1.0 0.0 2.65 654 573 A 51 VAL H A 50 GLY HAx 1.0 0.0 2.65 655 574 A 52 TRP HE1 A 84 GLY HA2 1.0 0.0 5.08 656 574 A 84 GLY HAy A 52 TRP HE1 1.0 0.0 5.08 657 575 A 53 ASN H A 53 ASN HBx 1.0 0.0 3.91 658 575 A 53 ASN H A 53 ASN HBy 1.0 0.0 3.91 659 576 A 54 GLY H A 53 ASN HBx 1.0 0.0 4.37 660 576 A 54 GLY H A 53 ASN HBy 1.0 0.0 4.37 661 577 A 83 PHE HA A 53 ASN HBx 1.0 0.0 3.72 662 577 A 83 PHE HA A 53 ASN HBy 1.0 0.0 3.72 663 578 A 55 SER H A 54 GLY HA2 1.0 0.0 3.09 664 578 A 55 SER H A 54 GLY HAy 1.0 0.0 3.09 665 579 A 70 ASP H A 54 GLY HA2 1.0 0.0 4.00 666 579 A 70 ASP H A 54 GLY HAy 1.0 0.0 4.00 667 580 A 67 ARG H A 55 SER HBy 1.0 0.0 4.08 668 580 A 67 ARG H A 55 SER HBx 1.0 0.0 4.08 669 581 A 56 LEU HA A 56 LEU HBy 1.0 0.0 2.98 670 581 A 56 LEU HA A 56 LEU HBx 1.0 0.0 2.98 671 582 A 57 THR H A 56 LEU HBy 1.0 0.0 3.27 672 582 A 57 THR H A 56 LEU HBx 1.0 0.0 3.27 673 583 A 58 SER H A 58 SER HBy 1.0 0.0 3.27 674 583 A 58 SER H A 58 SER HBx 1.0 0.0 3.27 675 584 A 58 SER HA A 58 SER HBy 1.0 0.0 2.85 676 584 A 58 SER HA A 58 SER HBx 1.0 0.0 2.85 677 585 A 59 GLY H A 58 SER HBy 1.0 0.0 3.66 678 585 A 59 GLY H A 58 SER HBx 1.0 0.0 3.66 679 586 A 59 GLY H A 59 GLY HAy 1.0 0.0 2.94 680 586 A 59 GLY H A 59 GLY HAx 1.0 0.0 2.94 681 587 A 61 ASP H A 59 GLY HAy 1.0 0.0 3.35 682 587 A 61 ASP H A 59 GLY HAx 1.0 0.0 3.35 683 588 A 63 THR H A 59 GLY HAy 1.0 0.0 3.72 684 588 A 63 THR H A 59 GLY HAx 1.0 0.0 3.72 685 589 A 61 ASP H A 60 SER HBy 1.0 0.0 3.61 686 589 A 61 ASP H A 60 SER HBx 1.0 0.0 3.61 687 590 A 61 ASP H A 61 ASP HBx 1.0 0.0 3.21 688 590 A 61 ASP H A 61 ASP HBy 1.0 0.0 3.21 689 591 A 62 GLY H A 61 ASP HBx 1.0 0.0 4.52 690 591 A 62 GLY H A 61 ASP HBy 1.0 0.0 4.52 691 592 A 62 GLY H A 62 GLY HAy 1.0 0.0 2.82 692 592 A 62 GLY H A 62 GLY HAx 1.0 0.0 2.82 693 593 A 63 THR H A 62 GLY HAy 1.0 0.0 3.44 694 593 A 63 THR H A 62 GLY HAx 1.0 0.0 3.44 695 594 A 64 VAL H A 64 VAL HG2% 1.0 0.0 3.42 696 594 A 64 VAL H A 64 VAL HG1% 1.0 0.0 3.42 697 595 A 65 THR H A 64 VAL HG2% 1.0 0.0 4.27 698 595 A 65 THR H A 64 VAL HG1% 1.0 0.0 4.27 699 596 A 67 ARG H A 67 ARG HBx 1.0 0.0 3.54 700 596 A 67 ARG H A 67 ARG HBy 1.0 0.0 3.54 701 597 A 68 ASN H A 67 ARG HBx 1.0 0.0 3.27 702 597 A 68 ASN H A 67 ARG HBy 1.0 0.0 3.27 703 598 A 68 ASN H A 68 ASN HBy 1.0 0.0 3.52 704 598 A 68 ASN H A 68 ASN HBx 1.0 0.0 3.52 705 599 A 68 ASN HA A 68 ASN HBy 1.0 0.0 3.02 706 599 A 68 ASN HBx A 68 ASN HA 1.0 0.0 3.02 707 600 A 69 VAL H A 68 ASN HBy 1.0 0.0 4.15 708 600 A 69 VAL H A 68 ASN HBx 1.0 0.0 4.15 709 601 A 72 ASN H A 72 ASN HBx 1.0 0.0 3.68 710 601 A 72 ASN H A 72 ASN HBy 1.0 0.0 3.68 711 602 A 72 ASN HD22 A 81 VAL HG1% 1.0 0.0 5.67 712 602 A 72 ASN HD21 A 81 VAL HG1% 1.0 0.0 5.67 713 602 A 81 VAL HG2% A 72 ASN HD22 1.0 0.0 5.67 714 602 A 81 VAL HG2% A 72 ASN HD21 1.0 0.0 5.67 715 603 A 74 VAL H A 74 VAL HG2% 1.0 0.0 3.63 716 603 A 74 VAL H A 74 VAL HG1% 1.0 0.0 3.63 717 604 A 75 VAL H A 74 VAL HG2% 1.0 0.0 5.84 718 604 A 74 VAL HG1% A 75 VAL H 1.0 0.0 5.84 719 605 A 78 ASP HA A 78 ASP HBx 1.0 0.0 2.67 720 605 A 78 ASP HA A 78 ASP HBy 1.0 0.0 2.67 721 606 A 80 SER H A 80 SER HBy 1.0 0.0 3.49 722 606 A 80 SER H A 80 SER HBx 1.0 0.0 3.49 723 607 A 80 SER HA A 80 SER HBy 1.0 0.0 2.73 724 607 A 80 SER HA A 80 SER HBx 1.0 0.0 2.73 725 608 A 81 VAL H A 80 SER HBy 1.0 0.0 3.60 726 608 A 81 VAL H A 80 SER HBx 1.0 0.0 3.60 727 609 A 81 VAL H A 81 VAL HG1% 1.0 0.0 3.25 728 609 A 81 VAL H A 81 VAL HG2% 1.0 0.0 3.25 729 610 A 82 THR H A 81 VAL HG1% 1.0 0.0 3.82 730 610 A 82 THR H A 81 VAL HG2% 1.0 0.0 3.82 731 611 A 83 PHE HA A 83 PHE HBy 1.0 0.0 2.82 732 611 A 83 PHE HA A 83 PHE HBx 1.0 0.0 2.82 733 612 A 84 GLY H A 83 PHE HBy 1.0 0.0 3.13 734 612 A 84 GLY H A 83 PHE HBx 1.0 0.0 3.13 735 613 A 85 PHE H A 84 GLY HA2 1.0 0.0 3.17 736 613 A 85 PHE H A 84 GLY HAy 1.0 0.0 3.17 737 614 A 92 ASN H A 91 GLY HAy 1.0 0.0 3.46 738 614 A 92 ASN H A 91 GLY HAx 1.0 0.0 3.46 739 615 A 92 ASN H A 92 ASN HBx 1.0 0.0 3.56 740 615 A 92 ASN H A 92 ASN HBy 1.0 0.0 3.56 741 616 A 93 ASP H A 92 ASN HBx 1.0 0.0 4.26 742 616 A 93 ASP H A 92 ASN HBy 1.0 0.0 4.26 743 617 A 94 PHE HA A 94 PHE HBy 1.0 0.0 2.91 744 617 A 94 PHE HA A 94 PHE HBx 1.0 0.0 2.91 745 618 A 97 ASP H A 97 ASP HB2 1.0 0.0 3.42 746 618 A 97 ASP H A 97 ASP HBy 1.0 0.0 3.42 747 619 A 97 ASP HA A 97 ASP HB2 1.0 0.0 2.71 748 619 A 97 ASP HA A 97 ASP HBy 1.0 0.0 2.71 749 620 A 99 ILE H A 98 SER HBy 1.0 0.0 3.12 750 620 A 99 ILE H A 98 SER HBx 1.0 0.0 3.12 751 621 A 101 CYS H A 100 GLY HAy 1.0 0.0 2.97 752 621 A 101 CYS H A 100 GLY HAx 1.0 0.0 2.97 753 622 A 102 VAL H A 101 CYS HBy 1.0 0.0 3.53 754 622 A 102 VAL H A 101 CYS HBx 1.0 0.0 3.53 755 623 A 102 VAL H A 102 VAL HG2% 1.0 0.0 3.13 756 623 A 102 VAL H A 102 VAL HG1% 1.0 0.0 3.13 757 624 A 103 ALA H A 102 VAL HG2% 1.0 0.0 3.46 758 624 A 103 ALA H A 102 VAL HG1% 1.0 0.0 3.46 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 5 CYS C A 6 MET N A 6 MET CA A 6 MET C 1.0 -137.0 -82.0 PHI 2 2 A 6 MET N A 6 MET CA A 6 MET C A 7 ALA N 1.0 110.0 150.0 PSI 3 3 A 6 MET C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -145.0 -105.0 PHI 4 4 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 VAL N 1.0 128.0 168.0 PSI 5 5 A 7 ALA C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -133.0 -93.0 PHI 6 6 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 TYR N 1.0 106.0 146.0 PSI 7 7 A 8 VAL C A 9 TYR N A 9 TYR CA A 9 TYR C 1.0 -141.0 -93.0 PHI 8 8 A 9 TYR N A 9 TYR CA A 9 TYR C A 10 SER N 1.0 107.0 163.0 PSI 9 9 A 9 TYR C A 10 SER N A 10 SER CA A 10 SER C 1.0 -113.0 -73.0 PHI 10 10 A 10 SER N A 10 SER CA A 10 SER C A 11 VAL N 1.0 105.0 148.0 PSI 11 11 A 10 SER C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -106.0 -53.0 PHI 12 12 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 GLU N 1.0 100.0 150.0 PSI 13 13 A 11 VAL C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -108.0 -59.0 PHI 14 14 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 ASN N 1.0 -61.0 -13.0 PSI 15 15 A 12 GLU C A 13 ASN N A 13 ASN CA A 13 ASN C 1.0 -172.0 -132.0 PHI 16 16 A 13 ASN N A 13 ASN CA A 13 ASN C A 14 SER N 1.0 131.0 171.0 PSI 17 17 A 13 ASN C A 14 SER N A 14 SER CA A 14 SER C 1.0 -176.0 -94.0 PHI 18 18 A 14 SER N A 14 SER CA A 14 SER C A 15 TRP N 1.0 118.0 181.0 PSI 19 19 A 14 SER C A 15 TRP N A 15 TRP CA A 15 TRP C 1.0 -191.0 -51.0 PHI 20 20 A 15 TRP N A 15 TRP CA A 15 TRP C A 16 SER N 1.0 120.0 178.0 PSI 21 21 A 15 TRP C A 16 SER N A 16 SER CA A 16 SER C 1.0 -77.0 -37.0 PHI 22 22 A 16 SER N A 16 SER CA A 16 SER C A 17 GLY N 1.0 109.0 149.0 PSI 23 23 A 16 SER C A 17 GLY N A 17 GLY CA A 17 GLY C 1.0 72.0 112.0 PHI 24 24 A 17 GLY N A 17 GLY CA A 17 GLY C A 18 GLY N 1.0 -24.0 15.0 PSI 25 25 A 18 GLY C A 19 PHE N A 19 PHE CA A 19 PHE C 1.0 -187.0 -98.0 PHI 26 26 A 19 PHE N A 19 PHE CA A 19 PHE C A 20 GLN N 1.0 134.0 176.0 PSI 27 27 A 19 PHE C A 20 GLN N A 20 GLN CA A 20 GLN C 1.0 -152.0 -89.0 PHI 28 28 A 20 GLN N A 20 GLN CA A 20 GLN C A 21 GLY N 1.0 115.0 155.0 PSI 29 29 A 20 GLN C A 21 GLY N A 21 GLY CA A 21 GLY C 1.0 -146.0 -98.0 PHI 30 30 A 21 GLY N A 21 GLY CA A 21 GLY C A 22 SER N 1.0 128.0 181.0 PSI 31 31 A 21 GLY C A 22 SER N A 22 SER CA A 22 SER C 1.0 -150.0 -90.0 PHI 32 32 A 22 SER N A 22 SER CA A 22 SER C A 23 VAL N 1.0 107.0 166.0 PSI 33 33 A 22 SER C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -140.0 -94.0 PHI 34 34 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 GLU N 1.0 111.0 151.0 PSI 35 35 A 23 VAL C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -135.0 -95.0 PHI 36 36 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 VAL N 1.0 104.0 144.0 PSI 37 37 A 24 GLU C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -129.0 -78.0 PHI 38 38 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 MET N 1.0 103.0 143.0 PSI 39 39 A 25 VAL C A 26 MET N A 26 MET CA A 26 MET C 1.0 -135.0 -95.0 PHI 40 40 A 26 MET N A 26 MET CA A 26 MET C A 27 ASN N 1.0 106.0 156.0 PSI 41 41 A 26 MET C A 27 ASN N A 27 ASN CA A 27 ASN C 1.0 -118.0 -72.0 PHI 42 42 A 27 ASN N A 27 ASN CA A 27 ASN C A 28 HIS N 1.0 89.0 139.0 PSI 43 43 A 28 HIS C A 29 GLY N A 29 GLY CA A 29 GLY C 1.0 -152.0 -50.0 PHI 44 44 A 29 GLY N A 29 GLY CA A 29 GLY C A 30 THR N 1.0 147.0 211.0 PSI 45 45 A 29 GLY C A 30 THR N A 30 THR CA A 30 THR C 1.0 -121.0 -70.0 PHI 46 46 A 30 THR N A 30 THR CA A 30 THR C A 31 GLU N 1.0 -27.0 22.0 PSI 47 47 A 30 THR C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -159.0 -71.0 PHI 48 48 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 PRO N 1.0 130.0 177.0 PSI 49 49 A 32 PRO C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -140.0 -43.0 PHI 50 50 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 ASN N 1.0 100.0 153.0 PSI 51 51 A 33 LEU C A 34 ASN N A 34 ASN CA A 34 ASN C 1.0 -85.0 -38.0 PHI 52 52 A 34 ASN N A 34 ASN CA A 34 ASN C A 35 GLY N 1.0 111.0 151.0 PSI 53 53 A 34 ASN C A 35 GLY N A 35 GLY CA A 35 GLY C 1.0 71.0 111.0 PHI 54 54 A 35 GLY N A 35 GLY CA A 35 GLY C A 36 TRP N 1.0 -23.0 16.0 PSI 55 55 A 35 GLY C A 36 TRP N A 36 TRP CA A 36 TRP C 1.0 -174.0 -56.0 PHI 56 56 A 36 TRP N A 36 TRP CA A 36 TRP C A 37 ALA N 1.0 129.0 169.0 PSI 57 57 A 36 TRP C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -157.0 -103.0 PHI 58 58 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 VAL N 1.0 117.0 157.0 PSI 59 59 A 37 ALA C A 38 VAL N A 38 VAL CA A 38 VAL C 1.0 -139.0 -99.0 PHI 60 60 A 38 VAL N A 38 VAL CA A 38 VAL C A 39 GLN N 1.0 111.0 151.0 PSI 61 61 A 38 VAL C A 39 GLN N A 39 GLN CA A 39 GLN C 1.0 -137.0 -90.0 PHI 62 62 A 39 GLN N A 39 GLN CA A 39 GLN C A 40 TRP N 1.0 112.0 152.0 PSI 63 63 A 39 GLN C A 40 TRP N A 40 TRP CA A 40 TRP C 1.0 -173.0 -118.0 PHI 64 64 A 40 TRP N A 40 TRP CA A 40 TRP C A 41 GLN N 1.0 130.0 183.0 PSI 65 65 A 40 TRP C A 41 GLN N A 41 GLN CA A 41 GLN C 1.0 -134.0 -74.0 PHI 66 66 A 41 GLN N A 41 GLN CA A 41 GLN C A 42 PRO N 1.0 105.0 159.0 PSI 67 67 A 44 GLY C A 45 GLY N A 45 GLY CA A 45 GLY C 1.0 69.0 109.0 PHI 68 68 A 45 GLY N A 45 GLY CA A 45 GLY C A 46 THR N 1.0 -22.0 17.0 PSI 69 69 A 45 GLY C A 46 THR N A 46 THR CA A 46 THR C 1.0 -121.0 -42.0 PHI 70 70 A 46 THR N A 46 THR CA A 46 THR C A 47 THR N 1.0 112.0 152.0 PSI 71 71 A 46 THR C A 47 THR N A 47 THR CA A 47 THR C 1.0 -157.0 -67.0 PHI 72 72 A 47 THR N A 47 THR CA A 47 THR C A 48 LEU N 1.0 119.0 173.0 PSI 73 73 A 49 GLY C A 50 GLY N A 50 GLY CA A 50 GLY C 1.0 -127.0 -33.0 PHI 74 74 A 50 GLY N A 50 GLY CA A 50 GLY C A 51 VAL N 1.0 136.0 188.0 PSI 75 75 A 50 GLY C A 51 VAL N A 51 VAL CA A 51 VAL C 1.0 -145.0 -78.0 PHI 76 76 A 51 VAL N A 51 VAL CA A 51 VAL C A 52 TRP N 1.0 103.0 167.0 PSI 77 77 A 51 VAL C A 52 TRP N A 52 TRP CA A 52 TRP C 1.0 -156.0 -89.0 PHI 78 78 A 52 TRP N A 52 TRP CA A 52 TRP C A 53 ASN N 1.0 81.0 152.0 PSI 79 79 A 54 GLY C A 55 SER N A 55 SER CA A 55 SER C 1.0 -130.0 -90.0 PHI 80 80 A 55 SER N A 55 SER CA A 55 SER C A 56 LEU N 1.0 113.0 157.0 PSI 81 81 A 56 LEU C A 57 THR N A 57 THR CA A 57 THR C 1.0 -147.0 -94.0 PHI 82 82 A 57 THR N A 57 THR CA A 57 THR C A 58 SER N 1.0 109.0 157.0 PSI 83 83 A 57 THR C A 58 SER N A 58 SER CA A 58 SER C 1.0 -146.0 -66.0 PHI 84 84 A 58 SER N A 58 SER CA A 58 SER C A 59 GLY N 1.0 101.0 165.0 PSI 85 85 A 58 SER C A 59 GLY N A 59 GLY CA A 59 GLY C 1.0 -136.0 -49.0 PHI 86 86 A 59 GLY N A 59 GLY CA A 59 GLY C A 60 SER N 1.0 145.0 195.0 PSI 87 87 A 59 GLY C A 60 SER N A 60 SER CA A 60 SER C 1.0 -90.0 -50.0 PHI 88 88 A 60 SER N A 60 SER CA A 60 SER C A 61 ASP N 1.0 -34.0 12.0 PSI 89 89 A 60 SER C A 61 ASP N A 61 ASP CA A 61 ASP C 1.0 -106.0 -62.0 PHI 90 90 A 61 ASP N A 61 ASP CA A 61 ASP C A 62 GLY N 1.0 -15.0 24.0 PSI 91 91 A 61 ASP C A 62 GLY N A 62 GLY CA A 62 GLY C 1.0 62.0 102.0 PHI 92 92 A 62 GLY N A 62 GLY CA A 62 GLY C A 63 THR N 1.0 -7.0 32.0 PSI 93 93 A 62 GLY C A 63 THR N A 63 THR CA A 63 THR C 1.0 -139.0 -97.0 PHI 94 94 A 63 THR N A 63 THR CA A 63 THR C A 64 VAL N 1.0 135.0 175.0 PSI 95 95 A 63 THR C A 64 VAL N A 64 VAL CA A 64 VAL C 1.0 -148.0 -94.0 PHI 96 96 A 64 VAL N A 64 VAL CA A 64 VAL C A 65 THR N 1.0 121.0 163.0 PSI 97 97 A 64 VAL C A 65 THR N A 65 THR CA A 65 THR C 1.0 -143.0 -89.0 PHI 98 98 A 65 THR N A 65 THR CA A 65 THR C A 66 VAL N 1.0 111.0 157.0 PSI 99 99 A 65 THR C A 66 VAL N A 66 VAL CA A 66 VAL C 1.0 -132.0 -92.0 PHI 100 100 A 66 VAL N A 66 VAL CA A 66 VAL C A 67 ARG N 1.0 108.0 148.0 PSI 101 101 A 66 VAL C A 67 ARG N A 67 ARG CA A 67 ARG C 1.0 -148.0 -78.0 PHI 102 102 A 67 ARG N A 67 ARG CA A 67 ARG C A 68 ASN N 1.0 124.0 185.0 PSI 103 103 A 67 ARG C A 68 ASN N A 68 ASN CA A 68 ASN C 1.0 39.0 79.0 PHI 104 104 A 68 ASN N A 68 ASN CA A 68 ASN C A 69 VAL N 1.0 22.0 66.0 PSI 105 105 A 70 ASP C A 71 HIS N A 71 HIS CA A 71 HIS C 1.0 -94.0 -51.0 PHI 106 106 A 71 HIS N A 71 HIS CA A 71 HIS C A 72 ASN N 1.0 -41.0 13.0 PSI 107 107 A 71 HIS C A 72 ASN N A 72 ASN CA A 72 ASN C 1.0 -136.0 -94.0 PHI 108 108 A 72 ASN N A 72 ASN CA A 72 ASN C A 73 ARG N 1.0 -12.0 54.0 PSI 109 109 A 72 ASN C A 73 ARG N A 73 ARG CA A 73 ARG C 1.0 -85.0 -45.0 PHI 110 110 A 73 ARG N A 73 ARG CA A 73 ARG C A 74 VAL N 1.0 -51.0 -7.0 PSI 111 111 A 74 VAL C A 75 VAL N A 75 VAL CA A 75 VAL C 1.0 -157.0 -62.0 PHI 112 112 A 75 VAL N A 75 VAL CA A 75 VAL C A 76 PRO N 1.0 101.0 182.0 PSI 113 113 A 79 GLY C A 80 SER N A 80 SER CA A 80 SER C 1.0 -151.0 -96.0 PHI 114 114 A 80 SER N A 80 SER CA A 80 SER C A 81 VAL N 1.0 135.0 175.0 PSI 115 115 A 80 SER C A 81 VAL N A 81 VAL CA A 81 VAL C 1.0 -153.0 -113.0 PHI 116 116 A 81 VAL N A 81 VAL CA A 81 VAL C A 82 THR N 1.0 130.0 171.0 PSI 117 117 A 81 VAL C A 82 THR N A 82 THR CA A 82 THR C 1.0 -152.0 -105.0 PHI 118 118 A 82 THR N A 82 THR CA A 82 THR C A 83 PHE N 1.0 121.0 165.0 PSI 119 119 A 82 THR C A 83 PHE N A 83 PHE CA A 83 PHE C 1.0 -171.0 -122.0 PHI 120 120 A 83 PHE N A 83 PHE CA A 83 PHE C A 84 GLY N 1.0 132.0 177.0 PSI 121 121 A 83 PHE C A 84 GLY N A 84 GLY CA A 84 GLY C 1.0 -178.0 -100.0 PHI 122 122 A 84 GLY N A 84 GLY CA A 84 GLY C A 85 PHE N 1.0 143.0 183.0 PSI 123 123 A 84 GLY C A 85 PHE N A 85 PHE CA A 85 PHE C 1.0 -170.0 -130.0 PHI 124 124 A 85 PHE N A 85 PHE CA A 85 PHE C A 86 THR N 1.0 135.0 175.0 PSI 125 125 A 85 PHE C A 86 THR N A 86 THR CA A 86 THR C 1.0 -153.0 -101.0 PHI 126 126 A 86 THR N A 86 THR CA A 86 THR C A 87 ALA N 1.0 123.0 163.0 PSI 127 127 A 86 THR C A 87 ALA N A 87 ALA CA A 87 ALA C 1.0 -157.0 -108.0 PHI 128 128 A 87 ALA N A 87 ALA CA A 87 ALA C A 88 THR N 1.0 119.0 169.0 PSI 129 129 A 87 ALA C A 88 THR N A 88 THR CA A 88 THR C 1.0 -151.0 -108.0 PHI 130 130 A 88 THR N A 88 THR CA A 88 THR C A 89 SER N 1.0 115.0 171.0 PSI 131 131 A 88 THR C A 89 SER N A 89 SER CA A 89 SER C 1.0 -155.0 -114.0 PHI 132 132 A 89 SER N A 89 SER CA A 89 SER C A 90 THR N 1.0 129.0 169.0 PSI 133 133 A 93 ASP C A 94 PHE N A 94 PHE CA A 94 PHE C 1.0 -112.0 -52.0 PHI 134 134 A 94 PHE N A 94 PHE CA A 94 PHE C A 95 PRO N 1.0 116.0 173.0 PSI 135 135 A 97 ASP C A 98 SER N A 98 SER CA A 98 SER C 1.0 -121.0 -44.0 PHI 136 136 A 98 SER N A 98 SER CA A 98 SER C A 99 ILE N 1.0 121.0 161.0 PSI 137 137 A 98 SER C A 99 ILE N A 99 ILE CA A 99 ILE C 1.0 -144.0 -102.0 PHI 138 138 A 99 ILE N A 99 ILE CA A 99 ILE C A 100 GLY N 1.0 112.0 152.0 PSI 139 139 A 99 ILE C A 100 GLY N A 100 GLY CA A 100 GLY C 1.0 -154.0 -93.0 PHI 140 140 A 100 GLY N A 100 GLY CA A 100 GLY C A 101 CYS N 1.0 129.0 178.0 PSI 141 141 A 101 CYS C A 102 VAL N A 102 VAL CA A 102 VAL C 1.0 -144.0 -92.0 PHI 142 142 A 102 VAL N A 102 VAL CA A 102 VAL C A 103 ALA N 1.0 111.0 165.0 PSI 143 143 A 102 VAL C A 103 ALA N A 103 ALA CA A 103 ALA C 1.0 -129.0 -60.0 PHI 144 144 A 103 ALA N A 103 ALA CA A 103 ALA C A 104 PRO N 1.0 87.0 158.0 PSI 145 145 A 92 ASN C A 93 ASP N A 93 ASP CA A 93 ASP C 1.0 -119.0 -47.0 PHI 146 146 A 93 ASP N A 93 ASP CA A 93 ASP C A 94 PHE N 1.0 -57.0 31.0 PSI stop_ save_