data_nef_c34420_6scw 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 . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6SCW stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ASP middle . . 3 A 3 GLU middle . . 4 A 4 THR middle . . 5 A 5 GLY middle . false 6 A 6 LYS middle . . 7 A 7 GLU middle . . 8 A 8 LEU middle . . 9 A 9 VAL middle . . 10 A 10 LEU middle . . 11 A 11 ALA middle . . 12 A 12 LEU middle . . 13 A 13 TYR middle . . 14 A 14 ASP middle . . 15 A 15 TYR middle . . 16 A 16 GLN middle . . 17 A 17 GLU middle . . 18 A 18 LYS middle . . 19 A 19 SER middle . . 20 A 20 PRO middle . false 21 A 21 ARG middle . . 22 A 22 GLU middle . . 23 A 23 VAL middle . . 24 A 24 THR middle . . 25 A 25 MET middle . . 26 A 26 LYS middle . . 27 A 27 LYS middle . . 28 A 28 GLY middle . false 29 A 29 ASP middle . . 30 A 30 ILE middle . . 31 A 31 LEU middle . . 32 A 32 THR middle . . 33 A 33 LEU middle . . 34 A 34 LEU middle . . 35 A 35 ASN middle . . 36 A 36 SER middle . . 37 A 37 THR middle . . 38 A 38 ASN middle . . 39 A 39 LYS middle . . 40 A 40 ASP middle . . 41 A 41 TRP middle . . 42 A 42 TRP middle . . 43 A 43 LYS middle . . 44 A 44 VAL middle . . 45 A 45 GLU middle . . 46 A 46 VAL middle . . 47 A 47 ASN middle . . 48 A 48 ASP middle . . 49 A 49 ARG middle . . 50 A 50 GLN middle . . 51 A 51 GLY middle . false 52 A 52 PHE middle . . 53 A 53 VAL middle . . 54 A 54 PRO middle . false 55 A 55 ALA middle . . 56 A 56 ALA middle . . 57 A 57 TYR middle . . 58 A 58 VAL middle . . 59 A 59 LYS middle . . 60 A 60 LYS middle . . 61 A 61 LEU middle . . 62 A 62 ASP end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.06 . A 1 MET HBx H 1 2.04 . A 1 MET HGx H 1 2.35 . A 1 MET HGy H 1 2.47 . A 1 MET CA C 13 54 . A 1 MET CB C 13 31.64 . A 1 MET CG C 13 29.82 . A 2 ASP H H 1 8.8 . A 2 ASP HA H 1 4.69 . A 2 ASP HBx H 1 2.69 . A 2 ASP HBy H 1 2.74 . A 2 ASP CA C 13 53.05 . A 2 ASP CB C 13 38.93 . A 2 ASP N N 15 123.2 . A 3 GLU H H 1 8.58 . A 3 GLU HA H 1 4.36 . A 3 GLU HBx H 1 1.88 . A 3 GLU HBy H 1 2.09 . A 3 GLU HGx H 1 2.36 . A 3 GLU HGy H 1 2.37 . A 3 GLU CA C 13 55.02 . A 3 GLU CB C 13 27.86 . A 3 GLU CG C 13 32.37 . A 3 GLU N N 15 122 . A 4 THR H H 1 8.13 . A 4 THR HA H 1 4.2 . A 4 THR HB H 1 4.18 . A 4 THR HG2% H 1 1.14 . A 4 THR CA C 13 61.52 . A 4 THR CB C 13 68.65 . A 4 THR CG2 C 13 20.71 . A 4 THR N N 15 114.3 . A 5 GLY H H 1 8.36 . A 5 GLY HAx H 1 3.89 . A 5 GLY HAy H 1 3.892 . A 5 GLY CA C 13 44.25 . A 5 GLY N N 15 111.5 . A 6 LYS H H 1 7.94 . A 6 LYS HA H 1 4.3 . A 6 LYS HBx H 1 1.67 . A 6 LYS HBy H 1 1.73 . A 6 LYS HDx H 1 1.56 . A 6 LYS HDy H 1 1.6 . A 6 LYS HEy H 1 2.91 . A 6 LYS HEx H 1 2.909 . A 6 LYS HGx H 1 1.29 . A 6 LYS HGy H 1 1.3 . A 6 LYS CA C 13 54.94 . A 6 LYS CB C 13 32.73 . A 6 LYS CD C 13 27.84 . A 6 LYS CG C 13 23.68 . A 6 LYS N N 15 120 . A 7 GLU H H 1 8.6 . A 7 GLU HA H 1 4.44 . A 7 GLU HBx H 1 1.94 . A 7 GLU HBy H 1 1.959 . A 7 GLU HGx H 1 2.29 . A 7 GLU HGy H 1 2.39 . A 7 GLU CA C 13 54.47 . A 7 GLU CB C 13 29.12 . A 7 GLU CG C 13 32.69 . A 7 GLU N N 15 122.9 . A 8 LEU H H 1 8.29 . A 8 LEU HA H 1 5.33 . A 8 LEU HBx H 1 1.27 . A 8 LEU HBy H 1 1.59 . A 8 LEU HDx% H 1 0.72 . A 8 LEU HG H 1 1.26 . A 8 LEU CA C 13 52.33 . A 8 LEU CB C 13 44.05 . A 8 LEU CDx C 13 22.17 . A 8 LEU CG C 13 24.31 . A 8 LEU N N 15 123 . A 9 VAL H H 1 9.1 . A 9 VAL HA H 1 5.14 . A 9 VAL HB H 1 1.93 . A 9 VAL HGx% H 1 0.96 . A 9 VAL CA C 13 56.92 . A 9 VAL CB C 13 35.05 . A 9 VAL CGx C 13 19.43 . A 9 VAL CGy C 13 22.99 . A 9 VAL N N 15 111.9 . A 10 LEU H H 1 8.93 . A 10 LEU HA H 1 5.05 . A 10 LEU HBx H 1 1.3 . A 10 LEU HBy H 1 1.64 . A 10 LEU HDx% H 1 0.78 . A 10 LEU CA C 13 51.43 . A 10 LEU CB C 13 45.7 . A 10 LEU CDx C 13 23.01 . A 10 LEU CDy C 13 23.96 . A 10 LEU CG C 13 25.57 . A 10 LEU N N 15 123.3 . A 11 ALA H H 1 9.02 . A 11 ALA HA H 1 4.53 . A 11 ALA HB% H 1 1.58 . A 11 ALA CA C 13 51.48 . A 11 ALA CB C 13 18.46 . A 11 ALA N N 15 126.9 . A 12 LEU H H 1 9.17 . A 12 LEU HA H 1 3.82 . A 12 LEU HBx H 1 0.66 . A 12 LEU HBy H 1 1.11 . A 12 LEU HDx% H 1 0.65 . A 12 LEU CA C 13 54.6 . A 12 LEU CB C 13 41.78 . A 12 LEU CDx C 13 20.32 . A 12 LEU CG C 13 23.97 . A 12 LEU N N 15 127.6 . A 13 TYR H H 1 7.02 . A 13 TYR HA H 1 4.55 . A 13 TYR HBx H 1 2 . A 13 TYR HBy H 1 2.99 . A 13 TYR CA C 13 53.49 . A 13 TYR CB C 13 41.89 . A 13 TYR CDy C 13 133.263 . A 13 TYR CEx C 13 117.18 . A 13 TYR N N 15 111.6 . A 14 ASP H H 1 8.33 . A 14 ASP HA H 1 4.55 . A 14 ASP HBx H 1 2.61 . A 14 ASP HBy H 1 2.81 . A 14 ASP CA C 13 53.18 . A 14 ASP CB C 13 39.81 . A 14 ASP N N 15 117.7 . A 15 TYR H H 1 8.61 . A 15 TYR HA H 1 4.61 . A 15 TYR HBx H 1 2.79 . A 15 TYR HBy H 1 2.97 . A 15 TYR CA C 13 58.55 . A 15 TYR CB C 13 42.63 . A 15 TYR CEx C 13 118.18 . A 15 TYR N N 15 120.3 . A 16 GLN H H 1 7.53 . A 16 GLN HA H 1 4.47 . A 16 GLN HBx H 1 1.71 . A 16 GLN HBy H 1 1.73 . A 16 GLN HE2x H 1 6.778 . A 16 GLN HE2y H 1 7.44 . A 16 GLN HGx H 1 2.19 . A 16 GLN HGy H 1 2.23 . A 16 GLN CA C 13 52.67 . A 16 GLN CB C 13 28.56 . A 16 GLN CG C 13 32.71 . A 16 GLN N N 15 127.3 . A 16 GLN NE2 N 15 112.36 . A 17 GLU H H 1 7.99 . A 17 GLU HA H 1 4.07 . A 17 GLU HBx H 1 2.17 . A 17 GLU HGx H 1 2.21 . A 17 GLU CA C 13 55.08 . A 17 GLU CB C 13 27.46 . A 17 GLU CG C 13 31.34 . A 17 GLU N N 15 123.2 . A 18 LYS H H 1 8.6 . A 18 LYS HA H 1 4.34 . A 18 LYS HBx H 1 1.91 . A 18 LYS HBy H 1 1.95 . A 18 LYS HDx H 1 1.69 . A 18 LYS HDy H 1 1.72 . A 18 LYS HGx H 1 1.54 . A 18 LYS HGy H 1 1.55 . A 18 LYS CA C 13 54.09 . A 18 LYS CB C 13 32.41 . A 18 LYS CD C 13 27.34 . A 18 LYS CG C 13 23.16 . A 18 LYS N N 15 120.7 . A 19 SER H H 1 7.64 . A 19 SER HA H 1 4.8 . A 19 SER HBx H 1 3.62 . A 19 SER HBy H 1 4.04 . A 19 SER CA C 13 56.52 . A 19 SER CB C 13 64.29 . A 19 SER N N 15 115.7 . A 20 PRO HA H 1 4.5 . A 20 PRO HBx H 1 1.86 . A 20 PRO HBy H 1 2.38 . A 20 PRO HDx H 1 3.72 . A 20 PRO HGx H 1 1.91 . A 20 PRO HGy H 1 2.07 . A 20 PRO CA C 13 63.85 . A 20 PRO CB C 13 31.09 . A 20 PRO CD C 13 50.91 . A 20 PRO CG C 13 26.41 . A 21 ARG H H 1 7.66 . A 21 ARG HA H 1 4.51 . A 21 ARG HBx H 1 1.58 . A 21 ARG HBy H 1 1.86 . A 21 ARG HDx H 1 2.92 . A 21 ARG HDy H 1 2.93 . A 21 ARG HGx H 1 1.31 . A 21 ARG HGy H 1 1.33 . A 21 ARG HH1x H 1 7.09 . A 21 ARG CA C 13 55.13 . A 21 ARG CB C 13 29.73 . A 21 ARG CD C 13 42.33 . A 21 ARG CG C 13 26.46 . A 21 ARG N N 15 113.7 . A 22 GLU H H 1 7.77 . A 22 GLU HA H 1 5.42 . A 22 GLU HBx H 1 2.08 . A 22 GLU HBy H 1 2.17 . A 22 GLU HGx H 1 2.63 . A 22 GLU HGy H 1 2.64 . A 22 GLU CA C 13 54.09 . A 22 GLU CB C 13 32.13 . A 22 GLU CG C 13 34.7 . A 22 GLU N N 15 121 . A 23 VAL H H 1 7.38 . A 23 VAL HA H 1 4.5 . A 23 VAL HB H 1 1.68 . A 23 VAL HGy% H 1 0.59 . A 23 VAL CA C 13 58.84 . A 23 VAL CB C 13 33.99 . A 23 VAL CGy C 13 20.04 . A 23 VAL N N 15 114.4 . A 24 THR H H 1 7.46 . A 24 THR HA H 1 4.98 . A 24 THR HB H 1 3.94 . A 24 THR HG2% H 1 1.27 . A 24 THR CA C 13 60.24 . A 24 THR CB C 13 69.32 . A 24 THR CG2 C 13 21.5 . A 24 THR N N 15 119.3 . A 25 MET H H 1 9.46 . A 25 MET HA H 1 4.84 . A 25 MET HBx H 1 2.51 . A 25 MET HBy H 1 2.648 . A 25 MET HE% H 1 2.1 . A 25 MET HGx H 1 1.82 . A 25 MET HGy H 1 2.11 . A 25 MET CA C 13 53.1 . A 25 MET CB C 13 35.25 . A 25 MET CE C 13 16.832 . A 25 MET CG C 13 30.28 . A 25 MET N N 15 121.8 . A 26 LYS H H 1 8.5 . A 26 LYS HA H 1 4.81 . A 26 LYS HBx H 1 1.61 . A 26 LYS HBy H 1 1.61 . A 26 LYS HDx H 1 1.63 . A 26 LYS HGx H 1 1.35 . A 26 LYS HGy H 1 1.38 . A 26 LYS CA C 13 52.69 . A 26 LYS CB C 13 33.61 . A 26 LYS CD C 13 27.77 . A 26 LYS CG C 13 23.57 . A 26 LYS N N 15 123.8 . A 27 LYS H H 1 8.88 . A 27 LYS HA H 1 3.2 . A 27 LYS HBx H 1 1.43 . A 27 LYS HBy H 1 1.53 . A 27 LYS HGx H 1 1.03 . A 27 LYS CA C 13 57.46 . A 27 LYS CB C 13 31.3 . A 27 LYS CD C 13 28.62 . A 27 LYS CG C 13 23.37 . A 27 LYS N N 15 122.7 . A 28 GLY H H 1 8.79 . A 28 GLY HAy H 1 4.394 . A 28 GLY HAx H 1 4.39 . A 28 GLY CA C 13 43.67 . A 28 GLY N N 15 115.6 . A 29 ASP H H 1 8.42 . A 29 ASP HA H 1 4.47 . A 29 ASP HBx H 1 2.52 . A 29 ASP HBy H 1 2.81 . A 29 ASP CA C 13 53.89 . A 29 ASP CB C 13 39.69 . A 29 ASP N N 15 121.3 . A 30 ILE H H 1 8.09 . A 30 ILE HA H 1 4.92 . A 30 ILE HB H 1 1.73 . A 30 ILE HG2% H 1 0.81 . A 30 ILE CA C 13 59.06 . A 30 ILE CB C 13 37.36 . A 30 ILE CD1 C 13 17.58 . A 30 ILE CG1 C 13 27.14 . A 30 ILE CG2 C 13 18.03 . A 30 ILE N N 15 120.7 . A 31 LEU H H 1 9.25 . A 31 LEU HA H 1 4.92 . A 31 LEU HBx H 1 1.37 . A 31 LEU HBy H 1 1.53 . A 31 LEU HG H 1 1.17 . A 31 LEU CA C 13 52.63 . A 31 LEU CB C 13 42.69 . A 31 LEU CG C 13 26.14 . A 31 LEU N N 15 127.2 . A 32 THR H H 1 8.39 . A 32 THR HA H 1 4.53 . A 32 THR HB H 1 3.99 . A 32 THR HG2% H 1 1.08 . A 32 THR CA C 13 62.18 . A 32 THR CB C 13 68.61 . A 32 THR CG2 C 13 21.55 . A 32 THR N N 15 117.2 . A 33 LEU H H 1 8.98 . A 33 LEU HA H 1 4.31 . A 33 LEU HBx H 1 1.75 . A 33 LEU HBy H 1 1.93 . A 33 LEU HDx% H 1 0.63 . A 33 LEU HG H 1 1.07 . A 33 LEU CA C 13 53.79 . A 33 LEU CB C 13 42.13 . A 33 LEU CDx C 13 22.58 . A 33 LEU CG C 13 24.26 . A 33 LEU N N 15 129 . A 34 LEU H H 1 8.98 . A 34 LEU HA H 1 4.45 . A 34 LEU HBx H 1 1.08 . A 34 LEU HBy H 1 1.37 . A 34 LEU HDx% H 1 0.26 . A 34 LEU HG H 1 1.54 . A 34 LEU CA C 13 53.93 . A 34 LEU CB C 13 41.4 . A 34 LEU CDx C 13 20.81 . A 34 LEU CG C 13 24.66 . A 34 LEU N N 15 126.3 . A 35 ASN H H 1 7.55 . A 35 ASN HA H 1 4.68 . A 35 ASN HBx H 1 2.6 . A 35 ASN HBy H 1 2.74 . A 35 ASN HD2x H 1 7.14 . A 35 ASN HD2y H 1 7.9 . A 35 ASN CA C 13 53.22 . A 35 ASN CB C 13 39.89 . A 35 ASN N N 15 114 . A 35 ASN ND2 N 15 115.04 . A 36 SER H H 1 9.06 . A 36 SER HA H 1 3.9 . A 36 SER HBx H 1 1.97 . A 36 SER HBy H 1 2.77 . A 36 SER CA C 13 55.96 . A 36 SER CB C 13 61.11 . A 36 SER N N 15 123.5 . A 37 THR H H 1 8.13 . A 37 THR HA H 1 3.9 . A 37 THR HB H 1 4.2 . A 37 THR HG2% H 1 1.24 . A 37 THR CA C 13 64.48 . A 37 THR CB C 13 68.33 . A 37 THR CG2 C 13 21.18 . A 37 THR N N 15 115.4 . A 38 ASN H H 1 8.66 . A 38 ASN HA H 1 4.78 . A 38 ASN HBx H 1 2.84 . A 38 ASN HBy H 1 3.67 . A 38 ASN HD2x H 1 7.26 . A 38 ASN HD2y H 1 7.9 . A 38 ASN CA C 13 52.29 . A 38 ASN CB C 13 39.47 . A 38 ASN N N 15 122.6 . A 38 ASN ND2 N 15 114.53 . A 39 LYS H H 1 8.44 . A 39 LYS HA H 1 4.18 . A 39 LYS HBx H 1 1.74 . A 39 LYS HBy H 1 1.76 . A 39 LYS HDx H 1 1.6 . A 39 LYS HGx H 1 1.37 . A 39 LYS HGy H 1 1.39 . A 39 LYS CA C 13 57.5 . A 39 LYS CB C 13 32.02 . A 39 LYS CD C 13 27.91 . A 39 LYS CG C 13 23.12 . A 39 LYS N N 15 120.9 . A 40 ASP H H 1 8.21 . A 40 ASP HA H 1 4.5 . A 40 ASP HBx H 1 2.26 . A 40 ASP HBy H 1 2.64 . A 40 ASP CA C 13 53.89 . A 40 ASP CB C 13 41.52 . A 40 ASP N N 15 114.4 . A 41 TRP H H 1 8.1 . A 41 TRP HA H 1 5.02 . A 41 TRP HBx H 1 2.74 . A 41 TRP HBy H 1 2.89 . A 41 TRP HD1 H 1 7.02 . A 41 TRP HE1 H 1 7.02 . A 41 TRP HE3 H 1 10 . A 41 TRP HH2 H 1 7.16 . A 41 TRP HZ2 H 1 7.31 . A 41 TRP HZ3 H 1 6.55 . A 41 TRP CA C 13 55.04 . A 41 TRP CB C 13 31.22 . A 41 TRP CD1 C 13 127.3 . A 41 TRP CE3 C 13 119.34 . A 41 TRP CH2 C 13 124.28 . A 41 TRP CZ3 C 13 120.48 . A 41 TRP N N 15 123 . A 41 TRP NE1 N 15 128.84 . A 42 TRP H H 1 9.29 . A 42 TRP HA H 1 5.47 . A 42 TRP HBx H 1 2.74 . A 42 TRP HBy H 1 2.9 . A 42 TRP HE1 H 1 6.63 . A 42 TRP HE3 H 1 9.23 . A 42 TRP HH2 H 1 7.47 . A 42 TRP HZ3 H 1 7.14 . A 42 TRP CA C 13 53.1 . A 42 TRP CB C 13 30.46 . A 42 TRP CE3 C 13 119.89 . A 42 TRP CH2 C 13 125.27 . A 42 TRP CZ3 C 13 120.48 . A 42 TRP N N 15 124.8 . A 42 TRP NE1 N 15 129.25 . A 43 LYS H H 1 8.84 . A 43 LYS HA H 1 4.32 . A 43 LYS HBx H 1 1.06 . A 43 LYS HBy H 1 2.64 . A 43 LYS HDx H 1 1.29 . A 43 LYS HGx H 1 0.93 . A 43 LYS HGy H 1 0.95 . A 43 LYS CA C 13 54.29 . A 43 LYS CB C 13 33 . A 43 LYS CD C 13 27.83 . A 43 LYS CG C 13 24.44 . A 43 LYS N N 15 124.2 . A 44 VAL H H 1 9.33 . A 44 VAL HA H 1 5.32 . A 44 VAL HB H 1 2.03 . A 44 VAL HGx% H 1 0.76 . A 44 VAL HGy% H 1 0.71 . A 44 VAL CA C 13 57.98 . A 44 VAL CB C 13 35.86 . A 44 VAL CGx C 13 18.13 . A 44 VAL CGy C 13 20.73 . A 44 VAL N N 15 122.1 . A 45 GLU H H 1 8.59 . A 45 GLU HA H 1 5.33 . A 45 GLU HBx H 1 1.84 . A 45 GLU HBy H 1 1.89 . A 45 GLU HGx H 1 2.18 . A 45 GLU HGy H 1 2.2 . A 45 GLU CA C 13 53.1 . A 45 GLU CB C 13 31.52 . A 45 GLU N N 15 118.6 . A 46 VAL H H 1 8.83 . A 46 VAL HA H 1 4.44 . A 46 VAL HB H 1 2.05 . A 46 VAL HGx% H 1 0.91 . A 46 VAL HGy% H 1 0.99 . A 46 VAL CA C 13 59.63 . A 46 VAL CB C 13 32.61 . A 46 VAL CGy C 13 20.12 . A 46 VAL CGx C 13 18.03 . A 46 VAL N N 15 125 . A 47 ASN H H 1 9.37 . A 47 ASN HA H 1 4.25 . A 47 ASN HBx H 1 2.81 . A 47 ASN HBy H 1 2.97 . A 47 ASN HD2x H 1 6.97 . A 47 ASN HD2y H 1 7.58 . A 47 ASN CA C 13 54.23 . A 47 ASN CB C 13 36.41 . A 47 ASN N N 15 126.6 . A 47 ASN ND2 N 15 113.73 . A 48 ASP H H 1 8.66 . A 48 ASP HA H 1 4.42 . A 48 ASP HBx H 1 2.93 . A 48 ASP HBy H 1 2.98 . A 48 ASP CA C 13 53.62 . A 48 ASP CB C 13 37.54 . A 48 ASP N N 15 112.5 . A 49 ARG H H 1 8.12 . A 49 ARG HA H 1 4.66 . A 49 ARG HBx H 1 1.83 . A 49 ARG HBy H 1 1.85 . A 49 ARG HDx H 1 3.23 . A 49 ARG HDy H 1 3.26 . A 49 ARG HGx H 1 1.65 . A 49 ARG HGy H 1 1.68 . A 49 ARG CA C 13 54.04 . A 49 ARG CB C 13 31.31 . A 49 ARG CD C 13 42.14 . A 49 ARG CG C 13 26.16 . A 49 ARG N N 15 120.5 . A 50 GLN H H 1 8.46 . A 50 GLN HA H 1 5.48 . A 50 GLN HBx H 1 1.77 . A 50 GLN HBy H 1 1.79 . A 50 GLN HE2x H 1 6.65 . A 50 GLN HE2y H 1 7.17 . A 50 GLN HGx H 1 2.17 . A 50 GLN HGy H 1 2.17 . A 50 GLN CA C 13 52.38 . A 50 GLN CB C 13 30.57 . A 50 GLN CG C 13 32.57 . A 50 GLN N N 15 118.7 . A 50 GLN NE2 N 15 110.33 . A 51 GLY H H 1 8.57 . A 51 GLY HAx H 1 3.89 . A 51 GLY HAy H 1 3.89 . A 51 GLY CA C 13 44.38 . A 51 GLY N N 15 107 . A 52 PHE H H 1 9.18 . A 52 PHE HA H 1 5.57 . A 52 PHE HBx H 1 2.55 . A 52 PHE HBy H 1 3.08 . A 52 PHE HDx H 1 7.08 . A 52 PHE HDy H 1 7.08 . A 52 PHE HEx H 1 7.38 . A 52 PHE HEy H 1 7.383 . A 52 PHE CA C 13 57.41 . A 52 PHE CB C 13 41.2 . A 52 PHE CDy C 13 130.92 . A 52 PHE CEx C 13 131 . A 52 PHE N N 15 119.1 . A 53 VAL H H 1 9.01 . A 53 VAL HA H 1 4.73 . A 53 VAL N N 15 111.1 . A 54 PRO HA H 1 3.49 . A 54 PRO HBx H 1 0.71 . A 54 PRO HBy H 1 1.22 . A 54 PRO HDx H 1 3.72 . A 54 PRO CA C 13 60.79 . A 54 PRO CB C 13 29.3 . A 54 PRO CD C 13 50.87 . A 55 ALA H H 1 7.41 . A 55 ALA HA H 1 2.6 . A 55 ALA HB% H 1 0.15 . A 55 ALA CA C 13 53.51 . A 55 ALA CB C 13 15 . A 55 ALA N N 15 129.2 . A 56 ALA H H 1 7.78 . A 56 ALA HA H 1 3.94 . A 56 ALA HB% H 1 1.12 . A 56 ALA CA C 13 52.07 . A 56 ALA CB C 13 17.3 . A 56 ALA N N 15 113.4 . A 57 TYR H H 1 7.66 . A 57 TYR HA H 1 4.66 . A 57 TYR HBx H 1 2.94 . A 57 TYR HBy H 1 3.3 . A 57 TYR HEx H 1 6.83 . A 57 TYR CA C 13 55.12 . A 57 TYR CB C 13 36.85 . A 57 TYR CDy C 13 133.8 . A 57 TYR CEx C 13 118.31 . A 57 TYR N N 15 116.1 . A 58 VAL H H 1 7.35 . A 58 VAL HA H 1 5.46 . A 58 VAL HB H 1 1.82 . A 58 VAL CA C 13 57.47 . A 58 VAL CB C 13 34.92 . A 58 VAL CGx C 13 18.67 . A 58 VAL N N 15 111.1 . A 59 LYS H H 1 8.54 . A 59 LYS HA H 1 4.77 . A 59 LYS HBx H 1 1.65 . A 59 LYS HBy H 1 1.68 . A 59 LYS HDx H 1 1.62 . A 59 LYS HGx H 1 1.36 . A 59 LYS HGy H 1 1.38 . A 59 LYS CA C 13 53.12 . A 59 LYS CB C 13 35.8 . A 59 LYS CD C 13 28.2 . A 59 LYS CG C 13 23 . A 59 LYS N N 15 118.6 . A 60 LYS H H 1 9.17 . A 60 LYS HA H 1 4.4 . A 60 LYS HBx H 1 1.79 . A 60 LYS HBy H 1 1.97 . A 60 LYS HGx H 1 1.3 . A 60 LYS CA C 13 57.47 . A 60 LYS CB C 13 32.01 . A 60 LYS CG C 13 24.93 . A 60 LYS N N 15 125.8 . A 61 LEU H H 1 8.43 . A 61 LEU HA H 1 4.39 . A 61 LEU HBx H 1 1.49 . A 61 LEU HBy H 1 1.52 . A 61 LEU HDx% H 1 0.78 . A 61 LEU CA C 13 53.8 . A 61 LEU CB C 13 41.8 . A 61 LEU CDx C 13 22.03 . A 61 LEU CG C 13 24.84 . A 61 LEU N N 15 125 . A 62 ASP H H 1 7.97 . A 62 ASP HA H 1 4.45 . A 62 ASP HBx H 1 2.87 . A 62 ASP HBy H 1 2.88 . A 62 ASP N N 15 122.8 . stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 2 ASP H A 1 MET HA 1.0 . 3.54 2 2 A 2 ASP H A 2 ASP HBx 1.0 . 4.43 3 3 A 2 ASP H A 3 GLU HBy 1.0 . 5.46 4 4 A 3 GLU H A 2 ASP HBy 1.0 . 5.13 5 5 A 3 GLU H A 3 GLU HA 1.0 . 4.26 6 6 A 3 GLU H A 3 GLU HBx 1.0 . 4.20 7 7 A 3 GLU HBy A 3 GLU H 1.0 . 4.86 8 8 A 3 GLU H A 3 GLU HGx 1.0 . 4.68 9 9 A 5 GLY H A 4 THR HA 1.0 . 3.45 10 10 A 5 GLY H A 5 GLY HAx 1.0 . 3.38 11 11 A 5 GLY H A 6 LYS H 1.0 . 3.24 12 12 A 5 GLY HAx A 6 LYS H 1.0 . 3.60 13 13 A 6 LYS H A 6 LYS HA 1.0 . 3.78 14 14 A 6 LYS H A 6 LYS HGy 1.0 . 4.30 15 15 A 6 LYS H A 6 LYS HDy 1.0 . 4.05 16 16 A 6 LYS H A 7 GLU H 1.0 . 4.43 17 17 A 8 LEU H A 7 GLU HA 1.0 . 2.63 18 18 A 8 LEU H A 7 GLU HBy 1.0 . 4.12 19 19 A 8 LEU H A 7 GLU HGx 1.0 . 4.53 20 20 A 8 LEU H A 7 GLU HGy 1.0 . 4.76 21 21 A 8 LEU H A 8 LEU HA 1.0 . 3.60 22 22 A 8 LEU H A 8 LEU HBx 1.0 . 3.90 23 23 A 8 LEU H A 8 LEU HBy 1.0 . 3.38 24 24 A 8 LEU H A 8 LEU HDx% 1.0 . 4.58 25 25 A 8 LEU H A 9 VAL H 1.0 . 5.37 26 26 A 8 LEU HA A 9 VAL H 1.0 . 2.60 27 27 A 8 LEU HDx% A 9 VAL H 1.0 . 3.37 28 28 A 9 VAL H A 9 VAL HA 1.0 . 3.49 29 29 A 9 VAL H A 9 VAL HB 1.0 . 4.57 30 30 A 9 VAL H A 9 VAL HGx% 1.0 . 3.99 31 31 A 9 VAL H A 30 ILE HA 1.0 . 4.64 32 32 A 9 VAL H A 32 THR HA 1.0 . 4.54 33 33 A 9 VAL HA A 10 LEU H 1.0 . 2.66 34 34 A 9 VAL HB A 10 LEU H 1.0 . 3.01 35 35 A 9 VAL HGx% A 10 LEU H 1.0 . 4.78 36 36 A 10 LEU H A 10 LEU HA 1.0 . 3.48 37 37 A 10 LEU H A 10 LEU HBx 1.0 . 3.18 38 38 A 10 LEU H A 10 LEU HBy 1.0 . 3.90 39 39 A 10 LEU H A 60 LYS HA 1.0 . 4.48 40 40 A 10 LEU H A 60 LYS HBx 1.0 . 5.32 41 41 A 10 LEU HA A 11 ALA H 1.0 . 2.60 42 42 A 10 LEU HBx A 11 ALA H 1.0 . 4.79 43 43 A 11 ALA H A 10 LEU HDx% 1.0 . 3.30 44 44 A 11 ALA H A 11 ALA HA 1.0 . 3.46 45 45 A 11 ALA H A 11 ALA HB% 1.0 . 2.93 46 46 A 11 ALA H A 29 ASP HBy 1.0 . 4.97 47 47 A 30 ILE HA A 11 ALA H 1.0 . 4.01 48 48 A 11 ALA H A 31 LEU HG 1.0 . 5.00 49 49 A 11 ALA HA A 12 LEU H 1.0 . 2.46 50 50 A 11 ALA HB% A 12 LEU H 1.0 . 4.07 51 51 A 12 LEU H A 12 LEU HA 1.0 . 3.34 52 52 A 12 LEU H A 12 LEU HBx 1.0 . 3.27 53 53 A 12 LEU H A 12 LEU HBy 1.0 . 3.17 54 54 A 12 LEU H A 13 TYR H 1.0 . 2.42 55 55 A 12 LEU H A 58 VAL HA 1.0 . 2.99 56 56 A 11 ALA HB% A 13 TYR H 1.0 . 3.79 57 57 A 12 LEU HA A 13 TYR H 1.0 . 3.88 58 58 A 12 LEU HBy A 13 TYR H 1.0 . 3.86 59 59 A 13 TYR H A 13 TYR HA 1.0 . 3.19 60 60 A 13 TYR H A 13 TYR HBx 1.0 . 3.61 61 61 A 13 TYR H A 13 TYR HBy 1.0 . 4.18 62 62 A 13 TYR H A 13 TYR HE% 1.0 . 8.00 63 63 A 13 TYR H A 25 MET HE% 1.0 . 4.41 64 64 A 13 TYR H A 27 LYS HA 1.0 . 3.99 65 65 A 13 TYR H A 57 TYR HBy 1.0 . 4.47 66 66 A 13 TYR HBx A 14 ASP H 1.0 . 3.96 67 67 A 13 TYR HBy A 14 ASP H 1.0 . 4.40 68 68 A 14 ASP H A 14 ASP HA 1.0 . 2.70 69 69 A 14 ASP H A 14 ASP HBx 1.0 . 3.20 70 70 A 14 ASP H A 14 ASP HBy 1.0 . 3.83 71 71 A 14 ASP H A 27 LYS H 1.0 . 3.52 72 72 A 27 LYS HA A 14 ASP H 1.0 . 5.27 73 73 A 14 ASP H A 27 LYS HBx 1.0 . 3.71 74 74 A 14 ASP H A 27 LYS HBy 1.0 . 4.06 75 75 A 14 ASP H A 27 LYS HGx 1.0 . 5.05 76 76 A 11 ALA HB% A 15 TYR H 1.0 . 5.04 77 77 A 15 TYR H A 15 TYR HBx 1.0 . 3.20 78 78 A 15 TYR H A 15 TYR HBy 1.0 . 3.91 79 79 A 15 TYR H A 24 THR HG2% 1.0 . 4.77 80 80 A 15 TYR H A 25 MET H 1.0 . 3.28 81 81 A 15 TYR H A 25 MET HBx 1.0 . 5.36 82 82 A 15 TYR H A 25 MET HGy 1.0 . 4.15 83 83 A 15 TYR H A 26 LYS HA 1.0 . 4.18 84 84 A 16 GLN H A 15 TYR HA 1.0 . 2.68 85 85 A 16 GLN H A 15 TYR HBx 1.0 . 4.97 86 86 A 16 GLN H A 15 TYR HBy 1.0 . 4.74 87 87 A 16 GLN H A 16 GLN HA 1.0 . 3.41 88 88 A 16 GLN H A 16 GLN HBx 1.0 . 2.95 89 89 A 16 GLN H A 16 GLN HGx 1.0 . 4.79 90 90 A 16 GLN HE2x A 16 GLN HE2y 1.0 . 2.20 91 91 A 16 GLN HGx A 16 GLN HE2y 1.0 . 5.03 92 92 A 19 SER H A 18 LYS H 1.0 . 3.09 93 93 A 19 SER H A 18 LYS HA 1.0 . 3.79 94 94 A 19 SER H A 18 LYS HDy 1.0 . 5.53 95 95 A 19 SER H A 19 SER HA 1.0 . 3.52 96 96 A 19 SER H A 19 SER HBx 1.0 . 4.02 97 97 A 19 SER H A 19 SER HBy 1.0 . 3.98 98 98 A 19 SER H A 22 GLU HBy 1.0 . 3.94 99 99 A 19 SER H A 22 GLU HGx 1.0 . 4.79 100 100 A 19 SER HBx A 21 ARG H 1.0 . 4.52 101 101 A 21 ARG H A 20 PRO HBy 1.0 . 4.90 102 102 A 21 ARG H A 20 PRO HDx 1.0 . 4.14 103 103 A 21 ARG H A 21 ARG HA 1.0 . 3.41 104 104 A 21 ARG H A 21 ARG HBx 1.0 . 3.73 105 105 A 21 ARG H A 21 ARG HGx 1.0 . 4.04 106 106 A 22 GLU HBy A 21 ARG H 1.0 . 5.94 107 107 A 22 GLU H A 15 TYR HE% 1.0 . 8.00 108 108 A 19 SER HBy A 22 GLU H 1.0 . 5.15 109 109 A 22 GLU H A 20 PRO HA 1.0 . 3.70 110 110 A 22 GLU H A 20 PRO HBx 1.0 . 4.88 111 111 A 20 PRO HBy A 22 GLU H 1.0 . 5.30 112 112 A 22 GLU H A 22 GLU HA 1.0 . 3.49 113 113 A 22 GLU H A 22 GLU HBx 1.0 . 3.50 114 114 A 22 GLU HBy A 22 GLU H 1.0 . 3.75 115 115 A 22 GLU HGx A 22 GLU H 1.0 . 4.12 116 116 A 23 VAL H A 17 GLU HA 1.0 . 5.42 117 117 A 22 GLU HA A 23 VAL H 1.0 . 2.90 118 118 A 22 GLU HBy A 23 VAL H 1.0 . 3.84 119 119 A 22 GLU HGx A 23 VAL H 1.0 . 3.59 120 120 A 23 VAL H A 23 VAL HA 1.0 . 3.48 121 121 A 23 VAL H A 23 VAL HB 1.0 . 3.89 122 122 A 23 VAL H A 23 VAL HG11 1.0 . 3.97 123 123 A 23 VAL H A 46 VAL HGy% 1.0 . 4.97 124 124 A 23 VAL H A 51 GLY HAy 1.0 . 5.03 125 125 A 23 VAL H A 52 PHE H 1.0 . 4.74 126 126 A 24 THR H A 24 THR HA 1.0 . 3.46 127 127 A 24 THR H A 24 THR HB 1.0 . 2.67 128 128 A 25 MET H A 15 TYR HBx 1.0 . 3.99 129 129 A 25 MET H A 16 GLN HA 1.0 . 4.41 130 130 A 25 MET H A 17 GLU H 1.0 . 5.21 131 131 A 25 MET H A 24 THR HA 1.0 . 2.52 132 132 A 24 THR HG2% A 25 MET H 1.0 . 3.22 133 133 A 25 MET H A 25 MET HA 1.0 . 3.29 134 134 A 25 MET H A 25 MET HBx 1.0 . 4.23 135 135 A 25 MET H A 25 MET HBy 1.0 . 3.59 136 136 A 25 MET H A 25 MET HGy 1.0 . 4.03 137 137 A 26 LYS HA A 26 LYS H 1.0 . 2.96 138 138 A 26 LYS H A 26 LYS HBx 1.0 . 3.17 139 139 A 26 LYS H A 26 LYS HGx 1.0 . 4.15 140 140 A 27 LYS HA A 27 LYS H 1.0 . 3.29 141 141 A 11 ALA HB% A 28 GLY H 1.0 . 3.33 142 142 A 27 LYS HA A 28 GLY H 1.0 . 2.53 143 143 A 28 GLY H A 27 LYS HBx 1.0 . 4.92 144 144 A 27 LYS HGx A 28 GLY H 1.0 . 3.71 145 145 A 28 GLY H A 28 GLY HAy 1.0 . 3.00 146 146 A 28 GLY H A 28 GLY HAx 1.0 . 3.47 147 147 A 28 GLY H A 29 ASP H 1.0 . 3.13 148 148 A 28 GLY H A 61 LEU HDx% 1.0 . 5.57 149 149 A 29 ASP H A 29 ASP HBx 1.0 . 3.75 150 150 A 31 LEU H A 31 LEU HA 1.0 . 2.98 151 151 A 31 LEU H A 31 LEU HBx 1.0 . 3.45 152 152 A 31 LEU H A 31 LEU HBy 1.0 . 3.62 153 153 A 31 LEU HA A 32 THR H 1.0 . 2.74 154 154 A 31 LEU HBx A 32 THR H 1.0 . 4.06 155 155 A 31 LEU HBy A 32 THR H 1.0 . 3.46 156 156 A 32 THR HA A 32 THR H 1.0 . 3.48 157 157 A 32 THR H A 32 THR HB 1.0 . 2.89 158 158 A 32 THR H A 44 VAL HB 1.0 . 4.02 159 159 A 32 THR H A 44 VAL HGx% 1.0 . 4.82 160 160 A 32 THR H A 44 VAL HGy% 1.0 . 4.79 161 161 A 32 THR H A 45 GLU H 1.0 . 3.49 162 162 A 32 THR H A 45 GLU HBy 1.0 . 4.67 163 163 A 8 LEU HA A 33 LEU H 1.0 . 3.44 164 164 A 32 THR HA A 33 LEU H 1.0 . 2.55 165 165 A 32 THR HB A 33 LEU H 1.0 . 4.68 166 166 A 33 LEU H A 33 LEU HA 1.0 . 3.43 167 167 A 33 LEU H A 33 LEU HBx 1.0 . 4.26 168 168 A 33 LEU H A 33 LEU HBy 1.0 . 3.64 169 169 A 33 LEU H A 33 LEU HG 1.0 . 3.82 170 170 A 33 LEU H A 44 VAL HGx% 1.0 . 4.26 171 171 A 33 LEU HA A 34 LEU H 1.0 . 2.59 172 172 A 34 LEU H A 33 LEU HDx% 1.0 . 3.75 173 173 A 34 LEU H A 34 LEU HA 1.0 . 3.34 174 174 A 34 LEU H A 34 LEU HBx 1.0 . 3.15 175 175 A 34 LEU H A 34 LEU HBy 1.0 . 3.68 176 176 A 34 LEU H A 35 ASN H 1.0 . 2.35 177 177 A 34 LEU H A 44 VAL HA 1.0 . 2.93 178 178 A 34 LEU H A 44 VAL HGy% 1.0 . 4.84 179 179 A 33 LEU HDx% A 35 ASN H 1.0 . 3.73 180 180 A 34 LEU HBx A 35 ASN H 1.0 . 3.40 181 181 A 35 ASN H A 35 ASN HA 1.0 . 3.53 182 182 A 35 ASN H A 35 ASN HBx 1.0 . 4.01 183 183 A 35 ASN H A 35 ASN HBy 1.0 . 3.83 184 184 A 35 ASN HBx A 35 ASN HD2x 1.0 . 4.44 185 185 A 35 ASN HD2x A 35 ASN HD2y 1.0 . 1.81 186 186 A 35 ASN HBx A 35 ASN HD2y 1.0 . 3.81 187 187 A 35 ASN HBy A 35 ASN HD2y 1.0 . 4.52 188 188 A 35 ASN H A 43 LYS HBy 1.0 . 3.52 189 189 A 35 ASN H A 43 LYS HGx 1.0 . 5.24 190 190 A 35 ASN H A 44 VAL HA 1.0 . 5.24 191 191 A 35 ASN H A 44 VAL HGy% 1.0 . 5.96 192 192 A 33 LEU HDx% A 36 SER H 1.0 . 4.92 193 193 A 35 ASN HA A 36 SER H 1.0 . 3.57 194 194 A 36 SER H A 36 SER HA 1.0 . 3.39 195 195 A 36 SER H A 36 SER HBx 1.0 . 3.77 196 196 A 36 SER H A 36 SER HBy 1.0 . 4.09 197 197 A 36 SER H A 37 THR H 1.0 . 2.53 198 198 A 35 ASN HD2x A 37 THR H 1.0 . 4.83 199 199 A 37 THR H A 37 THR HA 1.0 . 3.14 200 200 A 37 THR H A 37 THR HB 1.0 . 3.37 201 201 A 37 THR H A 38 ASN H 1.0 . 3.24 202 202 A 36 SER HA A 38 ASN H 1.0 . 4.10 203 203 A 37 THR HB A 38 ASN H 1.0 . 4.06 204 204 A 38 ASN H A 38 ASN HA 1.0 . 3.46 205 205 A 38 ASN H A 38 ASN HBx 1.0 . 3.20 206 206 A 38 ASN H A 38 ASN HBy 1.0 . 3.11 207 207 A 38 ASN HBx A 38 ASN HD2y 1.0 . 3.66 208 208 A 38 ASN HBy A 38 ASN HD2y 1.0 . 4.36 209 209 A 38 ASN H A 52 PHE HE% 1.0 . 8.00 210 210 A 38 ASN HA A 39 LYS H 1.0 . 2.97 211 211 A 38 ASN HBy A 39 LYS H 1.0 . 5.13 212 212 A 39 LYS H A 39 LYS HA 1.0 . 3.62 213 213 A 39 LYS H A 39 LYS HBx 1.0 . 3.89 214 214 A 39 LYS H A 39 LYS HGx 1.0 . 4.64 215 215 A 39 LYS H A 40 ASP H 1.0 . 2.94 216 216 A 38 ASN HA A 40 ASP H 1.0 . 5.21 217 217 A 38 ASN HBy A 40 ASP H 1.0 . 4.99 218 218 A 39 LYS HBx A 40 ASP H 1.0 . 4.49 219 219 A 39 LYS HGx A 40 ASP H 1.0 . 4.36 220 220 A 40 ASP H A 40 ASP HA 1.0 . 3.68 221 221 A 40 ASP H A 40 ASP HBx 1.0 . 4.18 222 222 A 40 ASP H A 40 ASP HBy 1.0 . 3.43 223 223 A 40 ASP H A 55 ALA HB% 1.0 . 5.27 224 224 A 40 ASP HA A 41 TRP H 1.0 . 4.21 225 225 A 40 ASP HBx A 41 TRP H 1.0 . 4.31 226 226 A 40 ASP HBy A 41 TRP H 1.0 . 3.75 227 227 A 41 TRP H A 41 TRP HA 1.0 . 3.58 228 228 A 41 TRP H A 41 TRP HBx 1.0 . 3.64 229 229 A 41 TRP H A 41 TRP HD1 1.0 . 3.58 230 230 A 41 TRP HE1 A 41 TRP HZ2 1.0 . 3.38 231 231 A 41 TRP HD1 A 41 TRP HE1 1.0 . 2.97 232 232 A 41 TRP H A 55 ALA H 1.0 . 4.89 233 233 A 55 ALA HB% A 41 TRP H 1.0 . 4.50 234 234 A 33 LEU HDx% A 42 TRP H 1.0 . 4.77 235 235 A 36 SER HA A 42 TRP HE1 1.0 . 4.45 236 236 A 36 SER HBy A 42 TRP HE1 1.0 . 4.90 237 237 A 39 LYS HA A 42 TRP HE1 1.0 . 3.88 238 238 A 41 TRP HA A 42 TRP H 1.0 . 2.55 239 239 A 42 TRP H A 41 TRP HE3 1.0 . 3.98 240 240 A 42 TRP H A 42 TRP HA 1.0 . 3.44 241 241 A 42 TRP H A 42 TRP HBy 1.0 . 3.49 242 242 A 42 TRP HE1 A 42 TRP HA 1.0 . 5.46 243 243 A 42 TRP HE1 A 42 TRP HH2 1.0 . 6.50 244 244 A 42 TRP H A 53 VAL H 1.0 . 3.51 245 245 A 42 TRP H A 54 PRO HA 1.0 . 4.38 246 246 A 55 ALA H A 42 TRP H 1.0 . 3.49 247 247 A 42 TRP H A 55 ALA HA 1.0 . 4.61 248 248 A 55 ALA HB% A 42 TRP H 1.0 . 4.43 249 249 A 55 ALA HB% A 42 TRP HE1 1.0 . 4.04 250 250 A 33 LEU HDx% A 43 LYS H 1.0 . 4.47 251 251 A 43 LYS H A 34 LEU HDx% 1.0 . 5.81 252 252 A 35 ASN H A 43 LYS H 1.0 . 3.38 253 253 A 35 ASN HBy A 43 LYS H 1.0 . 4.01 254 254 A 41 TRP HBx A 43 LYS H 1.0 . 5.42 255 255 A 42 TRP HA A 43 LYS H 1.0 . 2.63 256 256 A 42 TRP HBy A 43 LYS H 1.0 . 4.02 257 257 A 43 LYS H A 43 LYS HA 1.0 . 3.47 258 258 A 43 LYS H A 43 LYS HBx 1.0 . 3.18 259 259 A 43 LYS HBy A 43 LYS H 1.0 . 3.16 260 260 A 43 LYS H A 44 VAL HGy% 1.0 . 5.78 261 261 A 34 LEU HDx% A 44 VAL H 1.0 . 4.24 262 262 A 43 LYS HA A 44 VAL H 1.0 . 2.60 263 263 A 43 LYS HBx A 44 VAL H 1.0 . 4.27 264 264 A 43 LYS HGx A 44 VAL H 1.0 . 3.64 265 265 A 44 VAL HA A 44 VAL H 1.0 . 3.42 266 266 A 44 VAL HB A 44 VAL H 1.0 . 4.53 267 267 A 44 VAL H A 44 VAL HGx% 1.0 . 3.37 268 268 A 44 VAL H A 51 GLY H 1.0 . 2.83 269 269 A 44 VAL H A 52 PHE HA 1.0 . 4.41 270 270 A 32 THR HB A 45 GLU H 1.0 . 3.66 271 271 A 45 GLU H A 33 LEU HA 1.0 . 4.97 272 272 A 45 GLU H A 34 LEU HG 1.0 . 4.07 273 273 A 44 VAL HB A 45 GLU H 1.0 . 2.82 274 274 A 45 GLU H A 44 VAL HGx% 1.0 . 4.31 275 275 A 45 GLU H A 45 GLU HA 1.0 . 2.76 276 276 A 45 GLU H A 45 GLU HBx 1.0 . 3.39 277 277 A 23 VAL HB A 46 VAL H 1.0 . 6.30 278 278 A 46 VAL H A 23 VAL HGy% 1.0 . 4.74 279 279 A 45 GLU HA A 46 VAL H 1.0 . 2.57 280 280 A 46 VAL H A 45 GLU HGy 1.0 . 3.70 281 281 A 46 VAL H A 45 GLU HGy 1.0 . 3.69 282 281 A 46 VAL H A 45 GLU HGx 1.0 . 3.69 283 282 A 46 VAL H A 46 VAL HA 1.0 . 3.37 284 283 A 46 VAL H A 46 VAL HB 1.0 . 3.81 285 284 A 46 VAL H A 46 VAL HGx% 1.0 . 3.60 286 285 A 46 VAL H A 49 ARG H 1.0 . 3.15 287 286 A 46 VAL H A 49 ARG HBx 1.0 . 4.78 288 287 A 46 VAL HA A 47 ASN H 1.0 . 2.63 289 288 A 46 VAL HB A 47 ASN H 1.0 . 4.50 290 289 A 47 ASN H A 46 VAL HGy% 1.0 . 4.14 291 290 A 47 ASN HD2y A 46 VAL HGx% 1.0 . 5.93 292 291 A 47 ASN H A 47 ASN HA 1.0 . 2.69 293 292 A 47 ASN H A 47 ASN HBx 1.0 . 4.24 294 293 A 47 ASN H A 47 ASN HBy 1.0 . 4.52 295 294 A 47 ASN HBx A 47 ASN HD2x 1.0 . 5.19 296 295 A 47 ASN HBy A 47 ASN HD2x 1.0 . 5.78 297 296 A 47 ASN HD2y A 47 ASN HD2x 1.0 . 1.91 298 297 A 47 ASN HD2y A 47 ASN HBx 1.0 . 4.27 299 298 A 47 ASN HD2y A 47 ASN HBy 1.0 . 5.31 300 299 A 47 ASN H A 48 ASP H 1.0 . 4.02 301 300 A 48 ASP H A 45 GLU HGy 1.0 . 4.91 302 301 A 48 ASP H A 46 VAL HGx% 1.0 . 6.20 303 302 A 47 ASN HA A 48 ASP H 1.0 . 3.48 304 303 A 47 ASN HBx A 48 ASP H 1.0 . 4.24 305 304 A 48 ASP H A 48 ASP HA 1.0 . 2.88 306 305 A 49 ARG H A 48 ASP H 1.0 . 3.25 307 306 A 45 GLU HA A 49 ARG H 1.0 . 5.88 308 307 A 49 ARG H A 46 VAL HGx% 1.0 . 5.70 309 308 A 49 ARG H A 47 ASN HBy 1.0 . 5.79 310 309 A 49 ARG H A 49 ARG HBx 1.0 . 3.43 311 310 A 49 ARG H A 49 ARG HGx 1.0 . 4.14 312 311 A 50 GLN HE2x A 1 MET HBx 1.0 . 4.58 313 312 A 1 MET HBx A 50 GLN HE2y 1.0 . 4.10 314 313 A 23 VAL HGy% A 50 GLN H 1.0 . 5.74 315 314 A 23 VAL HGy% A 50 GLN HE2x 1.0 . 6.00 316 315 A 23 VAL HGy% A 50 GLN HE2y 1.0 . 6.03 317 316 A 49 ARG HGx A 50 GLN H 1.0 . 4.65 318 317 A 50 GLN H A 49 ARG HDx 1.0 . 5.81 319 318 A 50 GLN H A 50 GLN HA 1.0 . 3.57 320 319 A 50 GLN H A 50 GLN HBy 1.0 . 3.28 321 320 A 50 GLN HE2x A 50 GLN HGy 1.0 . 4.67 322 321 A 50 GLN HE2x A 50 GLN HE2y 1.0 . 1.80 323 322 A 50 GLN HE2y A 50 GLN HGy 1.0 . 4.22 324 323 A 51 GLY H A 23 VAL HGy% 1.0 . 3.77 325 324 A 34 LEU HDx% A 51 GLY H 1.0 . 5.02 326 325 A 43 LYS HGx A 51 GLY H 1.0 . 4.14 327 326 A 44 VAL HA A 51 GLY H 1.0 . 4.92 328 327 A 44 VAL HB A 51 GLY H 1.0 . 5.67 329 328 A 51 GLY H A 50 GLN HA 1.0 . 2.66 330 329 A 51 GLY H A 50 GLN HBy 1.0 . 4.11 331 330 A 51 GLY H A 50 GLN HGy 1.0 . 5.84 332 331 A 51 GLY H A 51 GLY HAx 1.0 . 3.24 333 332 A 22 GLU HA A 52 PHE H 1.0 . 2.61 334 333 A 23 VAL HG11 A 52 PHE H 1.0 . 5.16 335 334 A 52 PHE H A 51 GLY HAx 1.0 . 3.54 336 335 A 52 PHE H A 52 PHE HA 1.0 . 3.47 337 336 A 52 PHE H A 52 PHE HBx 1.0 . 3.21 338 337 A 52 PHE H A 52 PHE HBy 1.0 . 3.95 339 338 A 52 PHE H A 52 PHE HD% 1.0 . 8.00 340 339 A 23 VAL H A 53 VAL H 1.0 . 5.28 341 340 A 23 VAL HB A 53 VAL H 1.0 . 5.22 342 341 A 53 VAL H A 23 VAL HGy% 1.0 . 3.88 343 342 A 41 TRP HE3 A 53 VAL H 1.0 . 3.44 344 343 A 53 VAL H A 42 TRP HBx 1.0 . 4.86 345 344 A 42 TRP HBy A 53 VAL H 1.0 . 5.31 346 345 A 53 VAL H A 43 LYS HA 1.0 . 4.47 347 346 A 53 VAL H A 43 LYS HBx 1.0 . 4.90 348 347 A 53 VAL H A 52 PHE HA 1.0 . 2.59 349 348 A 53 VAL H A 52 PHE HBx 1.0 . 4.46 350 349 A 53 VAL H A 52 PHE HBy 1.0 . 3.78 351 350 A 53 VAL H A 53 VAL HA 1.0 . 3.48 352 351 A 40 ASP HA A 55 ALA H 1.0 . 4.40 353 352 A 41 TRP HA A 55 ALA H 1.0 . 3.28 354 353 A 55 ALA H A 54 PRO HA 1.0 . 2.58 355 354 A 55 ALA H A 54 PRO HBx 1.0 . 4.81 356 355 A 55 ALA H A 54 PRO HBy 1.0 . 4.53 357 356 A 55 ALA H A 55 ALA HA 1.0 . 3.19 358 357 A 55 ALA HB% A 55 ALA H 1.0 . 2.83 359 358 A 55 ALA H A 56 ALA H 1.0 . 3.29 360 359 A 54 PRO HA A 56 ALA H 1.0 . 4.84 361 360 A 54 PRO HBx A 56 ALA H 1.0 . 4.41 362 361 A 55 ALA HA A 56 ALA H 1.0 . 4.16 363 362 A 55 ALA HB% A 56 ALA H 1.0 . 3.58 364 363 A 56 ALA H A 56 ALA HA 1.0 . 3.44 365 364 A 56 ALA H A 56 ALA HB% 1.0 . 3.02 366 365 A 25 MET HE% A 57 TYR H 1.0 . 5.19 367 366 A 55 ALA HA A 57 TYR H 1.0 . 4.07 368 367 A 56 ALA HA A 57 TYR H 1.0 . 3.89 369 368 A 57 TYR H A 57 TYR HBx 1.0 . 3.24 370 369 A 57 TYR HBy A 57 TYR H 1.0 . 3.87 371 370 A 57 TYR H A 57 TYR HD% 1.0 . 8.00 372 371 A 55 ALA HA A 58 VAL H 1.0 . 4.46 373 372 A 56 ALA HA A 58 VAL H 1.0 . 4.13 374 373 A 57 TYR H A 58 VAL H 1.0 . 3.03 375 374 A 58 VAL H A 57 TYR HA 1.0 . 4.00 376 375 A 57 TYR HBx A 58 VAL H 1.0 . 4.79 377 376 A 58 VAL HA A 58 VAL H 1.0 . 3.43 378 377 A 58 VAL H A 58 VAL HB 1.0 . 4.20 379 378 A 58 VAL H A 58 VAL HG11 1.0 . 3.23 380 379 A 9 VAL HGx% A 59 LYS H 1.0 . 5.55 381 380 A 10 LEU H A 59 LYS H 1.0 . 3.25 382 381 A 10 LEU HBx A 59 LYS H 1.0 . 3.68 383 382 A 58 VAL HA A 59 LYS H 1.0 . 2.72 384 383 A 59 LYS H A 59 LYS HBx 1.0 . 3.05 385 384 A 9 VAL HGx% A 60 LYS H 1.0 . 5.11 386 385 A 60 LYS H A 58 VAL HG11 1.0 . 5.26 387 386 A 60 LYS H A 59 LYS HA 1.0 . 2.71 388 387 A 60 LYS HA A 60 LYS H 1.0 . 3.50 389 388 A 60 LYS HBx A 60 LYS H 1.0 . 3.22 390 389 A 60 LYS H A 60 LYS HBy 1.0 . 3.73 391 390 A 60 LYS H A 60 LYS HGx 1.0 . 4.15 392 391 A 9 VAL HA A 61 LEU H 1.0 . 3.04 393 392 A 9 VAL HGx% A 61 LEU H 1.0 . 4.50 394 393 A 60 LYS HBy A 61 LEU H 1.0 . 4.40 395 394 A 60 LYS HGx A 61 LEU H 1.0 . 4.77 396 395 A 61 LEU H A 61 LEU HA 1.0 . 2.88 397 396 A 61 LEU H A 61 LEU HBx 1.0 . 3.07 398 397 A 61 LEU HDx% A 61 LEU H 1.0 . 4.49 399 398 A 61 LEU H A 62 ASP H 1.0 . 3.15 400 399 A 62 ASP H A 62 ASP HBx 1.0 . 3.85 401 400 A 2 ASP H A 2 ASP HA 1.0 . 2.80 402 401 A 3 GLU H A 4 THR H 1.0 . 3.02 403 402 A 4 THR HA A 4 THR H 1.0 . 3.35 404 403 A 4 THR H A 4 THR HB 1.0 . 3.15 405 404 A 5 GLY H A 4 THR H 1.0 . 2.91 406 405 A 6 LYS H A 6 LYS HEy 1.0 . 5.94 407 406 A 9 VAL H A 31 LEU H 1.0 . 2.84 408 407 A 9 VAL H A 61 LEU H 1.0 . 5.06 409 408 A 10 LEU H A 58 VAL HA 1.0 . 4.46 410 409 A 11 ALA H A 25 MET HE% 1.0 . 4.93 411 410 A 11 ALA H A 27 LYS HA 1.0 . 5.25 412 411 A 11 ALA H A 28 GLY H 1.0 . 3.26 413 412 A 11 ALA H A 29 ASP H 1.0 . 3.45 414 413 A 11 ALA H A 29 ASP HBx 1.0 . 5.23 415 414 A 11 ALA H A 12 LEU H 1.0 . 4.29 416 415 A 12 LEU H A 25 MET HGx 1.0 . 6.00 417 416 A 12 LEU H A 25 MET HGy 1.0 . 4.05 418 417 A 13 TYR H A 14 ASP H 1.0 . 4.43 419 418 A 13 TYR H A 57 TYR HA 1.0 . 4.21 420 419 A 13 TYR H A 58 VAL HA 1.0 . 6.00 421 420 A 14 ASP H A 26 LYS HA 1.0 . 5.58 422 421 A 14 ASP H A 57 TYR HD% 1.0 . 8.00 423 422 A 13 TYR H A 15 TYR H 1.0 . 5.09 424 423 A 15 TYR H A 13 TYR HD% 1.0 . 8.00 425 424 A 15 TYR H A 16 GLN H 1.0 . 4.57 426 425 A 15 TYR H A 24 THR HA 1.0 . 5.50 427 426 A 16 GLN H A 15 TYR HE% 1.0 . 8.00 428 427 A 16 GLN HA A 16 GLN HE2y 1.0 . 5.37 429 428 A 24 THR HG2% A 16 GLN H 1.0 . 5.21 430 429 A 24 THR HG2% A 16 GLN HE2y 1.0 . 6.21 431 430 A 18 LYS H A 18 LYS HA 1.0 . 2.75 432 431 A 21 ARG H A 21 ARG HDx 1.0 . 4.99 433 432 A 21 ARG H A 21 ARG HH1x 1.0 . 3.82 434 433 A 19 SER HBx A 22 GLU H 1.0 . 4.44 435 434 A 22 GLU H A 23 VAL H 1.0 . 4.69 436 435 A 22 GLU H A 51 GLY HAx 1.0 . 4.59 437 436 A 15 TYR HE% A 23 VAL H 1.0 . 8.00 438 437 A 25 MET H A 15 TYR HBy 1.0 . 4.29 439 438 A 25 MET H A 24 THR H 1.0 . 4.42 440 439 A 30 ILE H A 29 ASP HA 1.0 . 2.51 441 440 A 29 ASP HBx A 30 ILE H 1.0 . 3.21 442 441 A 30 ILE HA A 30 ILE H 1.0 . 3.14 443 442 A 30 ILE H A 30 ILE HB 1.0 . 2.59 444 443 A 30 ILE H A 30 ILE HD11 1.0 . 4.88 445 444 A 32 THR H A 44 VAL HB 1.0 . 3.35 446 445 A 32 THR H A 46 VAL HA 1.0 . 4.23 447 446 A 33 LEU HBy A 34 LEU H 1.0 . 4.05 448 447 A 34 LEU H A 43 LYS H 1.0 . 5.13 449 448 A 44 VAL HB A 34 LEU H 1.0 . 4.54 450 449 A 45 GLU H A 34 LEU H 1.0 . 4.66 451 450 A 33 LEU HBy A 35 ASN H 1.0 . 4.64 452 451 A 35 ASN HA A 35 ASN HD2x 1.0 . 4.18 453 452 A 35 ASN HBy A 35 ASN HD2x 1.0 . 4.31 454 453 A 35 ASN HA A 35 ASN HD2y 1.0 . 4.02 455 454 A 35 ASN HD2x A 37 THR HB 1.0 . 4.58 456 455 A 35 ASN H A 42 TRP HA 1.0 . 5.00 457 456 A 35 ASN H A 52 PHE HE% 1.0 . 8.00 458 457 A 35 ASN HBy A 36 SER H 1.0 . 4.17 459 458 A 35 ASN HD2x A 36 SER H 1.0 . 4.74 460 459 A 35 ASN HD2y A 36 SER H 1.0 . 4.86 461 460 A 36 SER H A 38 ASN H 1.0 . 3.79 462 461 A 36 SER H A 43 LYS HBx 1.0 . 4.88 463 462 A 35 ASN HA A 37 THR H 1.0 . 3.75 464 463 A 35 ASN HBy A 37 THR H 1.0 . 4.70 465 464 A 35 ASN HD2y A 37 THR H 1.0 . 3.27 466 465 A 36 SER HBx A 37 THR H 1.0 . 4.60 467 466 A 36 SER HBy A 37 THR H 1.0 . 4.20 468 467 A 38 ASN H A 38 ASN HD2x 1.0 . 5.49 469 468 A 38 ASN H A 39 LYS H 1.0 . 4.11 470 469 A 38 ASN H A 42 TRP HA 1.0 . 4.69 471 470 A 39 LYS H A 38 ASN HD2x 1.0 . 5.15 472 471 A 38 ASN HD2y A 39 LYS H 1.0 . 4.60 473 472 A 38 ASN HA A 40 ASP H 1.0 . 4.34 474 473 A 40 ASP H A 41 TRP HA 1.0 . 5.50 475 474 A 40 ASP H A 41 TRP HD1 1.0 . 8.00 476 475 A 38 ASN HA A 41 TRP H 1.0 . 4.29 477 476 A 38 ASN HD2y A 41 TRP H 1.0 . 3.86 478 477 A 39 LYS HGx A 41 TRP H 1.0 . 5.34 479 478 A 36 SER HBx A 42 TRP HE1 1.0 . 8.00 480 479 A 41 TRP H A 42 TRP H 1.0 . 4.23 481 480 A 42 TRP H A 52 PHE HBy 1.0 . 4.32 482 481 A 35 ASN HA A 43 LYS H 1.0 . 5.55 483 482 A 36 SER HA A 43 LYS H 1.0 . 4.45 484 483 A 38 ASN H A 43 LYS H 1.0 . 4.31 485 484 A 43 LYS H A 52 PHE HD% 1.0 . 8.00 486 485 A 52 PHE HE% A 43 LYS H 1.0 . 8.00 487 486 A 34 LEU HBy A 44 VAL H 1.0 . 5.15 488 487 A 43 LYS HBy A 44 VAL H 1.0 . 4.20 489 488 A 44 VAL H A 45 GLU HBx 1.0 . 6.00 490 489 A 44 VAL H A 52 PHE HBx 1.0 . 5.79 491 490 A 53 VAL H A 44 VAL H 1.0 . 3.81 492 491 A 46 VAL H A 46 VAL HGy% 1.0 . 5.15 493 492 A 24 THR H A 47 ASN HD2y 1.0 . 6.50 494 493 A 46 VAL H A 47 ASN H 1.0 . 4.19 495 494 A 47 ASN HD2y A 46 VAL HGx% 1.0 . 4.95 496 495 A 47 ASN H A 47 ASN HA 1.0 . 2.24 497 496 A 47 ASN H A 47 ASN HD2x 1.0 . 5.11 498 497 A 47 ASN H A 47 ASN HD2y 1.0 . 4.91 499 498 A 47 ASN HD2y A 47 ASN HA 1.0 . 5.17 500 499 A 49 ARG H A 47 ASN H 1.0 . 4.78 501 500 A 47 ASN HD2x A 49 ARG HA 1.0 . 4.71 502 501 A 47 ASN HD2y A 49 ARG HA 1.0 . 5.35 503 502 A 49 ARG HBx A 48 ASP H 1.0 . 5.93 504 503 A 45 GLU HA A 49 ARG H 1.0 . 4.90 505 504 A 49 ARG H A 47 ASN HA 1.0 . 5.55 506 505 A 49 ARG H A 49 ARG HDx 1.0 . 4.94 507 506 A 49 ARG H A 50 GLN H 1.0 . 4.07 508 507 A 50 GLN HE2y A 2 ASP HA 1.0 . 6.00 509 508 A 50 GLN HE2y A 50 GLN HA 1.0 . 5.63 510 509 A 22 GLU H A 51 GLY H 1.0 . 6.10 511 510 A 51 GLY H A 52 PHE HBx 1.0 . 5.85 512 511 A 51 GLY H A 52 PHE HD% 1.0 . 8.00 513 512 A 22 GLU H A 52 PHE H 1.0 . 4.49 514 513 A 22 GLU HBx A 52 PHE H 1.0 . 5.01 515 514 A 23 VAL HA A 52 PHE H 1.0 . 4.35 516 515 A 52 PHE H A 43 LYS HBx 1.0 . 5.84 517 516 A 52 PHE H A 53 VAL H 1.0 . 4.31 518 517 A 23 VAL HB A 53 VAL H 1.0 . 3.93 519 518 A 25 MET HE% A 53 VAL H 1.0 . 5.56 520 519 A 41 TRP HA A 53 VAL H 1.0 . 4.36 521 520 A 53 VAL H A 43 LYS H 1.0 . 4.03 522 521 A 53 VAL H A 51 GLY H 1.0 . 5.60 523 522 A 55 ALA H A 41 TRP HE3 1.0 . 8.00 524 523 A 55 ALA H A 54 PRO HBy 1.0 . 4.13 525 524 A 56 ALA H A 57 TYR HD% 1.0 . 8.00 526 525 A 56 ALA H A 57 TYR HE% 1.0 . 8.00 527 526 A 55 ALA HB% A 57 TYR H 1.0 . 4.86 528 527 A 57 TYR H A 57 TYR HA 1.0 . 2.99 529 528 A 13 TYR H A 58 VAL H 1.0 . 5.21 530 529 A 58 VAL H A 13 TYR HD% 1.0 . 8.00 531 530 A 58 VAL H A 59 LYS H 1.0 . 4.30 532 531 A 9 VAL HA A 59 LYS H 1.0 . 4.22 533 532 A 10 LEU H A 60 LYS H 1.0 . 4.20 534 533 A 60 LYS H A 42 TRP HE3 1.0 . 8.00 535 534 A 60 LYS H A 42 TRP HZ3 1.0 . 8.00 536 535 A 59 LYS H A 61 LEU H 1.0 . 4.85 537 536 A 62 ASP H A 62 ASP HBx 1.0 . 3.21 538 537 A 8 LEU HA A 8 LEU HBx 1.0 . 3.18 539 538 A 9 VAL HA A 9 VAL HGx% 1.0 . 2.82 540 539 A 9 VAL HGx% A 42 TRP HE3 1.0 . 3.25 541 540 A 9 VAL HA A 60 LYS HA 1.0 . 3.20 542 541 A 10 LEU HA A 10 LEU HBx 1.0 . 3.19 543 542 A 10 LEU HA A 10 LEU HDx% 1.0 . 3.98 544 543 A 10 LEU HDx% A 28 GLY HAy 1.0 . 4.34 545 544 A 11 ALA HA A 58 VAL HA 1.0 . 3.01 546 545 A 10 LEU HBx A 12 LEU HBx 1.0 . 5.50 547 546 A 12 LEU HA A 12 LEU HBx 1.0 . 2.61 548 547 A 12 LEU HA A 12 LEU HBy 1.0 . 3.74 549 548 A 11 ALA HB% A 13 TYR HBy 1.0 . 5.31 550 549 A 13 TYR HBx A 13 TYR HBy 1.0 . 3.66 551 550 A 15 TYR HE% A 13 TYR HD% 1.0 . 3.25 552 551 A 13 TYR HBx A 57 TYR HD% 1.0 . 8.00 553 552 A 13 TYR HE% A 57 TYR HA 1.0 . 8.00 554 553 A 13 TYR HD% A 15 TYR HBx 1.0 . 8.00 555 554 A 15 TYR HA A 15 TYR HBx 1.0 . 4.40 556 555 A 15 TYR HE% A 15 TYR HBx 1.0 . 8.00 557 556 A 15 TYR HE% A 15 TYR HBx 1.0 . 8.00 558 557 A 15 TYR HE% A 17 GLU HA 1.0 . 2.97 559 558 A 25 MET HGx A 15 TYR HBx 1.0 . 4.29 560 559 A 25 MET HGy A 15 TYR HBx 1.0 . 4.29 561 560 A 16 GLN HA A 15 TYR HBy 1.0 . 4.34 562 560 A 16 GLN HA A 15 TYR HBx 1.0 . 4.34 563 561 A 17 GLU HA A 17 GLU HBx 1.0 . 3.47 564 562 A 22 GLU HGx A 17 GLU HA 1.0 . 4.69 565 563 A 18 LYS HDy A 17 GLU HA 1.0 . 6.02 566 564 A 18 LYS HA A 18 LYS HBx 1.0 . 3.88 567 565 A 18 LYS HBx A 18 LYS HGy 1.0 . 3.76 568 566 A 19 SER HA A 19 SER HBx 1.0 . 3.88 569 567 A 19 SER HBx A 19 SER HBy 1.0 . 2.20 570 568 A 19 SER HA A 19 SER HBy 1.0 . 3.41 571 569 A 19 SER HBy A 20 PRO HDx 1.0 . 3.48 572 570 A 19 SER HBy A 20 PRO HBx 1.0 . 5.50 573 571 A 19 SER HA A 20 PRO HDx 1.0 . 2.97 574 572 A 20 PRO HDx A 20 PRO HBx 1.0 . 4.83 575 573 A 20 PRO HBy A 20 PRO HGy 1.0 . 3.64 576 574 A 20 PRO HDx A 20 PRO HGy 1.0 . 3.44 577 575 A 20 PRO HDx A 20 PRO HGx 1.0 . 3.27 578 575 A 20 PRO HDx A 20 PRO HGy 1.0 . 3.27 579 576 A 21 ARG HA A 21 ARG HBy 1.0 . 3.61 580 577 A 21 ARG HGx A 21 ARG HBy 1.0 . 3.79 581 578 A 21 ARG HDx A 21 ARG HBy 1.0 . 4.70 582 579 A 22 GLU HGx A 22 GLU HA 1.0 . 3.36 583 580 A 22 GLU HBy A 41 TRP HH2 1.0 . 4.50 584 581 A 22 GLU HA A 52 PHE HE% 1.0 . 8.00 585 582 A 23 VAL HA A 23 VAL HB 1.0 . 3.03 586 583 A 23 VAL HA A 23 VAL HG11 1.0 . 3.35 587 584 A 23 VAL HB A 23 VAL HG11 1.0 . 3.24 588 585 A 23 VAL HB A 46 VAL HGy% 1.0 . 4.19 589 586 A 24 THR HG2% A 24 THR HA 1.0 . 4.24 590 587 A 24 THR HG2% A 24 THR HB 1.0 . 3.46 591 588 A 27 LYS HA A 27 LYS HGx 1.0 . 3.04 592 589 A 27 LYS HA A 27 LYS HBy 1.0 . 3.20 593 589 A 27 LYS HA A 27 LYS HBx 1.0 . 3.20 594 590 A 27 LYS HA A 27 LYS HBx 1.0 . 3.23 595 591 A 27 LYS HA A 27 LYS HBy 1.0 . 3.59 596 592 A 27 LYS HGx A 27 LYS HBy 1.0 . 2.60 597 593 A 30 ILE HA A 30 ILE HD11 1.0 . 4.42 598 594 A 30 ILE HB A 30 ILE HD11 1.0 . 3.78 599 595 A 31 LEU HBx A 44 VAL HB 1.0 . 3.70 600 596 A 32 THR HA A 32 THR HG2% 1.0 . 4.06 601 597 A 32 THR HB A 32 THR HG2% 1.0 . 3.68 602 598 A 33 LEU HDx% A 42 TRP HBy 1.0 . 4.13 603 599 A 33 LEU HDx% A 42 TRP HZ3 1.0 . 4.58 604 600 A 34 LEU HA A 34 LEU HBy 1.0 . 3.26 605 601 A 36 SER HBx A 2 ASP HA 1.0 . 6.55 606 602 A 33 LEU HDx% A 36 SER HBx 1.0 . 3.41 607 603 A 36 SER HA A 36 SER HBx 1.0 . 2.94 608 604 A 36 SER HBx A 36 SER HBy 1.0 . 2.24 609 605 A 38 ASN HA A 38 ASN HBx 1.0 . 3.98 610 606 A 38 ASN HBx A 38 ASN HBy 1.0 . 2.86 611 607 A 38 ASN HA A 38 ASN HBy 1.0 . 3.49 612 608 A 39 LYS HA A 39 LYS HBx 1.0 . 3.14 613 609 A 40 ASP HA A 40 ASP HBx 1.0 . 3.18 614 610 A 40 ASP HBx A 40 ASP HBy 1.0 . 1.91 615 611 A 40 ASP HBy A 41 TRP HD1 1.0 . 3.28 616 612 A 41 TRP HH2 A 41 TRP HZ3 1.0 . 2.83 617 613 A 36 SER HA A 42 TRP HA 1.0 . 4.01 618 614 A 55 ALA HB% A 42 TRP HH2 1.0 . 2.92 619 615 A 43 LYS HA A 43 LYS HBx 1.0 . 3.15 620 616 A 43 LYS HBy A 43 LYS HGx 1.0 . 3.13 621 617 A 43 LYS HGx A 43 LYS HDx 1.0 . 4.04 622 618 A 31 LEU HBy A 46 VAL HB 1.0 . 5.25 623 619 A 46 VAL HA A 46 VAL HGy% 1.0 . 3.71 624 619 A 46 VAL HA A 46 VAL HGx% 1.0 . 3.71 625 620 A 46 VAL HB A 46 VAL HGy% 1.0 . 2.08 626 620 A 46 VAL HB A 46 VAL HGx% 1.0 . 2.08 627 621 A 47 ASN HA A 47 ASN HBx 1.0 . 4.02 628 622 A 48 ASP HA A 48 ASP HBy 1.0 . 3.92 629 623 A 49 ARG HGx A 49 ARG HDx 1.0 . 4.27 630 624 A 21 ARG HGx A 52 PHE HBx 1.0 . 4.13 631 625 A 52 PHE HA A 52 PHE HBy 1.0 . 3.28 632 626 A 41 TRP HA A 54 PRO HA 1.0 . 3.30 633 627 A 54 PRO HA A 54 PRO HBx 1.0 . 3.64 634 628 A 54 PRO HA A 54 PRO HBy 1.0 . 2.67 635 629 A 54 PRO HA A 58 VAL HG21 1.0 . 5.58 636 629 A 54 PRO HA A 58 VAL HG11 1.0 . 5.58 637 630 A 40 ASP HA A 55 ALA HB% 1.0 . 4.18 638 631 A 55 ALA HB% A 55 ALA HA 1.0 . 2.93 639 632 A 56 ALA HA A 56 ALA HB% 1.0 . 2.61 640 633 A 57 TYR HD% A 57 TYR HA 1.0 . 8.00 641 634 A 11 ALA HA A 58 VAL HG21 1.0 . 3.73 642 635 A 55 ALA HA A 58 VAL HG11 1.0 . 4.00 643 636 A 58 VAL HA A 58 VAL HG21 1.0 . 3.33 644 636 A 58 VAL HA A 58 VAL HG11 1.0 . 3.33 645 637 A 59 LYS HBx A 59 LYS HA 1.0 . 3.69 646 638 A 9 VAL HGx% A 60 LYS HA 1.0 . 3.34 647 639 A 60 LYS HBx A 60 LYS HBy 1.0 . 2.89 648 640 A 61 LEU HA A 61 LEU HBx 1.0 . 3.91 649 641 A 3 GLU HBx A 1 MET HBx 1.0 . 4.93 650 642 A 11 ALA HB% A 25 MET HGx 1.0 . 3.12 651 643 A 11 ALA HB% A 27 LYS HA 1.0 . 3.33 652 644 A 11 ALA HB% A 27 LYS HBx 1.0 . 4.42 653 645 A 13 TYR HBy A 27 LYS HA 1.0 . 6.00 654 646 A 13 TYR HBy A 57 TYR HD% 1.0 . 8.00 655 647 A 18 LYS HBx A 18 LYS HGy 1.0 . 3.13 656 648 A 20 PRO HBy A 20 PRO HA 1.0 . 2.54 657 649 A 20 PRO HBy A 20 PRO HBx 1.0 . 2.21 658 650 A 22 GLU HBy A 23 VAL HA 1.0 . 4.29 659 651 A 9 VAL HGx% A 30 ILE HD11 1.0 . 4.36 660 652 A 31 LEU HG A 30 ILE HG2% 1.0 . 4.43 661 653 A 31 LEU HBx A 31 LEU HBy 1.0 . 1.89 662 654 A 31 LEU HG A 58 VAL HG21 1.0 . 4.21 663 654 A 31 LEU HG A 58 VAL HG11 1.0 . 4.21 664 655 A 40 ASP HA A 40 ASP HBy 1.0 . 3.13 665 656 A 41 TRP HE3 A 57 TYR HD% 1.0 . 8.00 666 657 A 44 VAL HB A 44 VAL HA 1.0 . 2.53 667 658 A 45 GLU HA A 50 GLN HGy 1.0 . 4.57 668 659 A 31 LEU HBy A 46 VAL HGy% 1.0 . 4.02 669 660 A 46 VAL HGx% A 44 VAL HGx% 1.0 . 2.55 670 660 A 46 VAL HGx% A 44 VAL HGy% 1.0 . 2.55 671 661 A 46 VAL HB A 50 GLN HA 1.0 . 6.09 672 662 A 49 ARG HBx A 49 ARG HA 1.0 . 2.95 673 663 A 52 PHE HBx A 52 PHE HBy 1.0 . 2.39 674 664 A 57 TYR HD% A 57 TYR HE% 1.0 . 8.00 675 665 A 10 LEU HBx A 58 VAL HA 1.0 . 5.50 676 666 A 10 LEU H A 59 LYS O 1.0 . 2.20 677 667 A 13 TYR H A 57 TYR O 1.0 . 2.70 678 668 A 15 TYR H A 25 MET O 1.0 . 2.20 679 669 A 19 SER H A 22 GLU OE1 1.0 . 2.40 680 670 A 22 GLU H A 19 SER O 1.0 . 2.20 681 671 A 25 MET H A 15 TYR O 1.0 . 2.20 682 672 A 27 LYS H A 14 ASP OD1 1.0 . 2.20 683 673 A 32 THR H A 45 GLU O 1.0 . 2.70 684 674 A 33 LEU H A 7 GLU O 1.0 . 2.20 685 675 A 37 THR H A 35 ASN OD1 1.0 . 2.20 686 676 A 41 TRP H A 38 ASN OD1 1.0 . 2.20 687 677 A 44 VAL H A 51 GLY O 1.0 . 2.70 688 678 A 49 ARG H A 46 VAL O 1.0 . 2.20 689 679 A 52 PHE H A 21 ARG O 1.0 . 2.20 690 680 A 55 ALA H A 40 ASP O 1.0 . 2.90 691 681 A 58 VAL H A 56 ALA O 1.0 . 2.40 692 682 A 57 TYR H A 55 ALA O 1.0 . 2.80 693 683 A 23 VAL H A 52 PHE O 1.0 . 2.20 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 2 ASP H A 1 MET HA 1.0 . 2.36 2 2 A 2 ASP H A 2 ASP HBx 1.0 . 2.95 3 3 A 2 ASP H A 3 GLU HBy 1.0 . 3.64 4 4 A 3 GLU H A 2 ASP HBy 1.0 . 3.42 5 5 A 3 GLU H A 3 GLU HA 1.0 . 2.29 6 6 A 3 GLU H A 3 GLU HBx 1.0 . 2.80 7 7 A 3 GLU HBy A 3 GLU H 1.0 . 3.24 8 8 A 3 GLU H A 3 GLU HGx 1.0 . 3.12 9 9 A 5 GLY H A 4 THR HA 1.0 . 2.30 10 10 A 5 GLY H A 5 GLY HAx 1.0 . 2.25 11 11 A 5 GLY H A 6 LYS H 1.0 . 3.24 12 12 A 5 GLY HAx A 6 LYS H 1.0 . 2.40 13 13 A 6 LYS H A 6 LYS HA 1.0 . 2.37 14 14 A 6 LYS H A 6 LYS HGy 1.0 . 2.86 15 15 A 6 LYS H A 6 LYS HDy 1.0 . 2.70 16 16 A 6 LYS H A 7 GLU H 1.0 . 2.95 17 17 A 8 LEU H A 7 GLU HA 1.0 . 1.75 18 18 A 8 LEU H A 7 GLU HBy 1.0 . 2.75 19 19 A 8 LEU H A 7 GLU HGx 1.0 . 3.02 20 20 A 8 LEU H A 7 GLU HGy 1.0 . 3.17 21 21 A 8 LEU H A 8 LEU HA 1.0 . 2.40 22 22 A 8 LEU H A 8 LEU HBx 1.0 . 2.60 23 23 A 8 LEU H A 8 LEU HBy 1.0 . 2.05 24 24 A 8 LEU H A 8 LEU HDx% 1.0 . 2.58 25 25 A 8 LEU H A 9 VAL H 1.0 . 3.58 26 26 A 8 LEU HA A 9 VAL H 1.0 . 1.73 27 27 A 8 LEU HDx% A 9 VAL H 1.0 . 1.90 28 28 A 9 VAL H A 9 VAL HA 1.0 . 2.33 29 29 A 9 VAL H A 9 VAL HB 1.0 . 3.05 30 30 A 9 VAL H A 9 VAL HGx% 1.0 . 2.24 31 31 A 9 VAL H A 30 ILE HA 1.0 . 3.09 32 32 A 9 VAL H A 32 THR HA 1.0 . 2.93 33 33 A 9 VAL HA A 10 LEU H 1.0 . 1.78 34 34 A 9 VAL HB A 10 LEU H 1.0 . 2.00 35 35 A 9 VAL HGx% A 10 LEU H 1.0 . 2.69 36 36 A 10 LEU H A 10 LEU HA 1.0 . 2.32 37 37 A 10 LEU H A 10 LEU HBx 1.0 . 2.12 38 38 A 10 LEU H A 10 LEU HBy 1.0 . 1.93 39 39 A 10 LEU H A 60 LYS HA 1.0 . 2.98 40 40 A 10 LEU H A 60 LYS HBx 1.0 . 2.95 41 41 A 10 LEU HA A 11 ALA H 1.0 . 1.73 42 42 A 10 LEU HBx A 11 ALA H 1.0 . 3.19 43 43 A 11 ALA H A 10 LEU HDx% 1.0 . 1.85 44 44 A 11 ALA H A 11 ALA HA 1.0 . 2.30 45 45 A 11 ALA H A 11 ALA HB% 1.0 . 1.65 46 46 A 11 ALA H A 29 ASP HBy 1.0 . 3.31 47 47 A 30 ILE HA A 11 ALA H 1.0 . 2.67 48 48 A 11 ALA H A 31 LEU HG 1.0 . 2.75 49 49 A 11 ALA HA A 12 LEU H 1.0 . 1.64 50 50 A 11 ALA HB% A 12 LEU H 1.0 . 2.29 51 51 A 12 LEU H A 12 LEU HA 1.0 . 2.22 52 52 A 12 LEU H A 12 LEU HBx 1.0 . 2.18 53 53 A 12 LEU H A 12 LEU HBy 1.0 . 2.12 54 54 A 12 LEU H A 13 TYR H 1.0 . 2.42 55 55 A 12 LEU H A 58 VAL HA 1.0 . 1.99 56 56 A 11 ALA HB% A 13 TYR H 1.0 . 2.13 57 57 A 12 LEU HA A 13 TYR H 1.0 . 2.59 58 58 A 12 LEU HBy A 13 TYR H 1.0 . 2.57 59 59 A 13 TYR H A 13 TYR HA 1.0 . 2.13 60 60 A 13 TYR H A 13 TYR HBx 1.0 . 2.41 61 61 A 13 TYR H A 13 TYR HBy 1.0 . 2.79 62 62 A 13 TYR H A 13 TYR HE% 1.0 . 2.21 63 63 A 13 TYR H A 25 MET HE% 1.0 . 2.48 64 64 A 13 TYR H A 27 LYS HA 1.0 . 2.66 65 65 A 13 TYR H A 57 TYR HBy 1.0 . 2.98 66 66 A 13 TYR HBx A 14 ASP H 1.0 . 2.64 67 67 A 13 TYR HBy A 14 ASP H 1.0 . 2.27 68 68 A 14 ASP H A 14 ASP HA 1.0 . 1.80 69 69 A 14 ASP H A 14 ASP HBx 1.0 . 2.14 70 70 A 14 ASP H A 14 ASP HBy 1.0 . 2.55 71 71 A 14 ASP H A 27 LYS H 1.0 . 3.52 72 72 A 27 LYS HA A 14 ASP H 1.0 . 3.52 73 73 A 14 ASP H A 27 LYS HBx 1.0 . 2.47 74 74 A 14 ASP H A 27 LYS HBy 1.0 . 2.71 75 75 A 14 ASP H A 27 LYS HGx 1.0 . 3.37 76 76 A 11 ALA HB% A 15 TYR H 1.0 . 2.83 77 77 A 15 TYR H A 15 TYR HBx 1.0 . 2.14 78 78 A 15 TYR H A 15 TYR HBy 1.0 . 2.61 79 79 A 15 TYR H A 24 THR HG2% 1.0 . 2.68 80 80 A 15 TYR H A 25 MET H 1.0 . 2.88 81 81 A 15 TYR H A 25 MET HBx 1.0 . 2.91 82 82 A 15 TYR H A 25 MET HGy 1.0 . 2.76 83 83 A 15 TYR H A 26 LYS HA 1.0 . 2.79 84 84 A 16 GLN H A 15 TYR HA 1.0 . 1.79 85 85 A 16 GLN H A 15 TYR HBx 1.0 . 3.31 86 86 A 16 GLN H A 15 TYR HBy 1.0 . 3.16 87 87 A 16 GLN H A 16 GLN HA 1.0 . 2.27 88 88 A 16 GLN H A 16 GLN HBx 1.0 . 1.97 89 89 A 16 GLN H A 16 GLN HGx 1.0 . 3.20 90 90 A 16 GLN HGx A 16 GLN HE2y 1.0 . 3.35 91 91 A 19 SER H A 18 LYS H 1.0 . 2.06 92 92 A 19 SER H A 18 LYS HA 1.0 . 2.53 93 93 A 19 SER H A 18 LYS HDy 1.0 . 3.68 94 94 A 19 SER H A 19 SER HA 1.0 . 2.35 95 95 A 19 SER H A 19 SER HBx 1.0 . 2.28 96 96 A 19 SER H A 19 SER HBy 1.0 . 2.65 97 97 A 19 SER H A 22 GLU HBy 1.0 . 2.29 98 98 A 19 SER H A 22 GLU HGx 1.0 . 3.06 99 99 A 19 SER HBx A 21 ARG H 1.0 . 3.01 100 100 A 21 ARG H A 20 PRO HBy 1.0 . 3.26 101 101 A 21 ARG H A 20 PRO HDx 1.0 . 2.76 102 102 A 21 ARG H A 21 ARG HA 1.0 . 2.28 103 103 A 21 ARG H A 21 ARG HBx 1.0 . 2.49 104 104 A 21 ARG H A 21 ARG HGx 1.0 . 2.69 105 105 A 22 GLU HBy A 21 ARG H 1.0 . 3.96 106 106 A 22 GLU H A 15 TYR HE% 1.0 . 2.93 107 107 A 19 SER HBy A 22 GLU H 1.0 . 3.43 108 108 A 22 GLU H A 20 PRO HA 1.0 . 2.47 109 109 A 22 GLU H A 20 PRO HBx 1.0 . 2.92 110 110 A 20 PRO HBy A 22 GLU H 1.0 . 2.87 111 111 A 22 GLU H A 22 GLU HA 1.0 . 2.33 112 112 A 22 GLU H A 22 GLU HBx 1.0 . 2.33 113 113 A 22 GLU HBy A 22 GLU H 1.0 . 2.17 114 114 A 22 GLU HGx A 22 GLU H 1.0 . 2.75 115 115 A 23 VAL H A 17 GLU HA 1.0 . 3.45 116 116 A 22 GLU HA A 23 VAL H 1.0 . 1.93 117 117 A 22 GLU HBy A 23 VAL H 1.0 . 2.56 118 118 A 22 GLU HGx A 23 VAL H 1.0 . 2.39 119 119 A 23 VAL H A 23 VAL HA 1.0 . 2.32 120 120 A 23 VAL H A 23 VAL HB 1.0 . 2.59 121 121 A 23 VAL H A 23 VAL HG11 1.0 . 1.95 122 122 A 23 VAL H A 46 VAL HGy% 1.0 . 2.52 123 123 A 23 VAL H A 51 GLY HAy 1.0 . 3.35 124 124 A 23 VAL H A 52 PHE H 1.0 . 2.94 125 125 A 24 THR H A 24 THR HA 1.0 . 2.31 126 126 A 24 THR H A 24 THR HB 1.0 . 1.78 127 127 A 25 MET H A 15 TYR HBx 1.0 . 2.66 128 128 A 25 MET H A 16 GLN HA 1.0 . 2.94 129 129 A 25 MET H A 17 GLU H 1.0 . 3.48 130 130 A 25 MET H A 24 THR HA 1.0 . 1.68 131 131 A 24 THR HG2% A 25 MET H 1.0 . 1.81 132 132 A 25 MET H A 25 MET HA 1.0 . 2.19 133 133 A 25 MET H A 25 MET HBx 1.0 . 2.82 134 134 A 25 MET H A 25 MET HBy 1.0 . 2.40 135 135 A 25 MET H A 25 MET HGy 1.0 . 2.68 136 136 A 26 LYS HA A 26 LYS H 1.0 . 1.77 137 137 A 26 LYS H A 26 LYS HBx 1.0 . 2.11 138 138 A 26 LYS H A 26 LYS HGx 1.0 . 2.77 139 139 A 27 LYS HA A 27 LYS H 1.0 . 2.19 140 140 A 11 ALA HB% A 28 GLY H 1.0 . 1.87 141 141 A 27 LYS HA A 28 GLY H 1.0 . 1.68 142 142 A 28 GLY H A 27 LYS HBx 1.0 . 3.28 143 143 A 27 LYS HGx A 28 GLY H 1.0 . 2.47 144 144 A 28 GLY H A 28 GLY HAy 1.0 . 2.00 145 145 A 28 GLY H A 28 GLY HAx 1.0 . 2.32 146 146 A 28 GLY H A 29 ASP H 1.0 . 2.09 147 147 A 28 GLY H A 61 LEU HDx% 1.0 . 2.57 148 148 A 29 ASP H A 29 ASP HBx 1.0 . 2.50 149 149 A 31 LEU H A 31 LEU HA 1.0 . 1.65 150 150 A 31 LEU H A 31 LEU HBx 1.0 . 2.30 151 151 A 31 LEU H A 31 LEU HBy 1.0 . 2.41 152 152 A 31 LEU HA A 32 THR H 1.0 . 1.82 153 153 A 31 LEU HBx A 32 THR H 1.0 . 2.70 154 154 A 31 LEU HBy A 32 THR H 1.0 . 2.30 155 155 A 32 THR HA A 32 THR H 1.0 . 2.32 156 156 A 32 THR H A 32 THR HB 1.0 . 1.92 157 157 A 32 THR H A 44 VAL HB 1.0 . 2.68 158 158 A 32 THR H A 44 VAL HGx% 1.0 . 2.41 159 159 A 32 THR H A 44 VAL HGy% 1.0 . 2.69 160 160 A 32 THR H A 45 GLU H 1.0 . 2.32 161 161 A 32 THR H A 45 GLU HBy 1.0 . 3.11 162 162 A 8 LEU HA A 33 LEU H 1.0 . 2.29 163 163 A 32 THR HA A 33 LEU H 1.0 . 1.70 164 164 A 32 THR HB A 33 LEU H 1.0 . 3.12 165 165 A 33 LEU H A 33 LEU HA 1.0 . 2.29 166 166 A 33 LEU H A 33 LEU HBx 1.0 . 2.24 167 167 A 33 LEU H A 33 LEU HBy 1.0 . 2.03 168 168 A 33 LEU H A 33 LEU HG 1.0 . 1.88 169 169 A 33 LEU H A 44 VAL HGx% 1.0 . 2.39 170 170 A 33 LEU HA A 34 LEU H 1.0 . 1.72 171 171 A 34 LEU H A 33 LEU HDx% 1.0 . 1.99 172 172 A 34 LEU H A 34 LEU HA 1.0 . 2.23 173 173 A 34 LEU H A 34 LEU HBx 1.0 . 2.10 174 174 A 34 LEU H A 34 LEU HBy 1.0 . 2.12 175 175 A 34 LEU H A 35 ASN H 1.0 . 2.35 176 176 A 34 LEU H A 44 VAL HA 1.0 . 1.95 177 177 A 34 LEU H A 44 VAL HGy% 1.0 . 2.44 178 178 A 33 LEU HDx% A 35 ASN H 1.0 . 2.10 179 179 A 34 LEU HBx A 35 ASN H 1.0 . 2.27 180 180 A 35 ASN H A 35 ASN HA 1.0 . 2.35 181 181 A 35 ASN H A 35 ASN HBx 1.0 . 2.67 182 182 A 35 ASN H A 35 ASN HBy 1.0 . 2.56 183 183 A 35 ASN HBx A 35 ASN HD2x 1.0 . 2.96 184 184 A 35 ASN HD2x A 35 ASN HD2y 1.0 . 1.81 185 185 A 35 ASN HBx A 35 ASN HD2y 1.0 . 2.54 186 186 A 35 ASN HBy A 35 ASN HD2y 1.0 . 3.01 187 187 A 35 ASN H A 43 LYS HBy 1.0 . 2.35 188 188 A 35 ASN H A 43 LYS HGx 1.0 . 3.50 189 189 A 35 ASN H A 44 VAL HA 1.0 . 3.49 190 190 A 35 ASN H A 44 VAL HGy% 1.0 . 3.12 191 191 A 33 LEU HDx% A 36 SER H 1.0 . 2.77 192 192 A 35 ASN HA A 36 SER H 1.0 . 1.71 193 193 A 36 SER H A 36 SER HA 1.0 . 2.26 194 194 A 36 SER H A 36 SER HBx 1.0 . 2.51 195 195 A 36 SER H A 36 SER HBy 1.0 . 2.56 196 196 A 36 SER H A 37 THR H 1.0 . 2.53 197 197 A 35 ASN HD2x A 37 THR H 1.0 . 3.22 198 198 A 37 THR H A 37 THR HA 1.0 . 2.10 199 199 A 37 THR H A 37 THR HB 1.0 . 2.25 200 200 A 37 THR H A 38 ASN H 1.0 . 2.16 201 201 A 36 SER HA A 38 ASN H 1.0 . 2.39 202 202 A 37 THR HB A 38 ASN H 1.0 . 2.71 203 203 A 38 ASN H A 38 ASN HA 1.0 . 2.31 204 204 A 38 ASN H A 38 ASN HBx 1.0 . 2.14 205 205 A 38 ASN H A 38 ASN HBy 1.0 . 2.08 206 206 A 38 ASN HBx A 38 ASN HD2y 1.0 . 2.44 207 207 A 38 ASN HBy A 38 ASN HD2y 1.0 . 2.91 208 208 A 38 ASN H A 52 PHE HE% 1.0 . 3.26 209 209 A 38 ASN HA A 39 LYS H 1.0 . 1.98 210 210 A 38 ASN HBy A 39 LYS H 1.0 . 3.42 211 211 A 39 LYS H A 39 LYS HA 1.0 . 2.41 212 212 A 39 LYS H A 39 LYS HBx 1.0 . 2.59 213 213 A 39 LYS H A 39 LYS HGx 1.0 . 3.09 214 214 A 39 LYS H A 40 ASP H 1.0 . 2.94 215 215 A 38 ASN HA A 40 ASP H 1.0 . 3.47 216 216 A 38 ASN HBy A 40 ASP H 1.0 . 3.33 217 217 A 39 LYS HBx A 40 ASP H 1.0 . 2.99 218 218 A 39 LYS HGx A 40 ASP H 1.0 . 2.91 219 219 A 40 ASP H A 40 ASP HA 1.0 . 2.45 220 220 A 40 ASP H A 40 ASP HBx 1.0 . 2.59 221 221 A 40 ASP H A 40 ASP HBy 1.0 . 2.29 222 222 A 40 ASP H A 55 ALA HB% 1.0 . 2.96 223 223 A 40 ASP HA A 41 TRP H 1.0 . 2.80 224 224 A 40 ASP HBx A 41 TRP H 1.0 . 2.62 225 225 A 40 ASP HBy A 41 TRP H 1.0 . 2.50 226 226 A 41 TRP H A 41 TRP HA 1.0 . 2.38 227 227 A 41 TRP H A 41 TRP HBx 1.0 . 2.23 228 228 A 41 TRP H A 41 TRP HD1 1.0 . 2.22 229 229 A 41 TRP HE1 A 41 TRP HZ2 1.0 . 2.25 230 230 A 41 TRP HD1 A 41 TRP HE1 1.0 . 1.98 231 231 A 41 TRP H A 55 ALA H 1.0 . 2.80 232 232 A 55 ALA HB% A 41 TRP H 1.0 . 2.53 233 233 A 33 LEU HDx% A 42 TRP H 1.0 . 2.40 234 234 A 36 SER HA A 42 TRP HE1 1.0 . 2.63 235 235 A 36 SER HBy A 42 TRP HE1 1.0 . 2.54 236 236 A 39 LYS HA A 42 TRP HE1 1.0 . 2.25 237 237 A 41 TRP HA A 42 TRP H 1.0 . 1.70 238 238 A 42 TRP H A 41 TRP HE3 1.0 . 2.32 239 239 A 42 TRP H A 42 TRP HA 1.0 . 2.29 240 240 A 42 TRP H A 42 TRP HBy 1.0 . 2.33 241 241 A 42 TRP HE1 A 42 TRP HA 1.0 . 3.64 242 242 A 42 TRP HE1 A 42 TRP HH2 1.0 . 2.03 243 243 A 42 TRP H A 53 VAL H 1.0 . 2.14 244 244 A 42 TRP H A 54 PRO HA 1.0 . 2.92 245 245 A 55 ALA H A 42 TRP H 1.0 . 3.49 246 246 A 42 TRP H A 55 ALA HA 1.0 . 2.67 247 247 A 55 ALA HB% A 42 TRP H 1.0 . 2.49 248 248 A 55 ALA HB% A 42 TRP HE1 1.0 . 1.99 249 249 A 33 LEU HDx% A 43 LYS H 1.0 . 2.35 250 250 A 43 LYS H A 34 LEU HDx% 1.0 . 3.26 251 251 A 35 ASN H A 43 LYS H 1.0 . 2.26 252 252 A 35 ASN HBy A 43 LYS H 1.0 . 2.27 253 253 A 41 TRP HBx A 43 LYS H 1.0 . 2.74 254 254 A 42 TRP HA A 43 LYS H 1.0 . 1.75 255 255 A 42 TRP HBy A 43 LYS H 1.0 . 2.48 256 256 A 43 LYS H A 43 LYS HA 1.0 . 2.31 257 257 A 43 LYS H A 43 LYS HBx 1.0 . 2.12 258 258 A 43 LYS HBy A 43 LYS H 1.0 . 2.10 259 259 A 43 LYS H A 44 VAL HGy% 1.0 . 2.69 260 260 A 34 LEU HDx% A 44 VAL H 1.0 . 2.38 261 261 A 43 LYS HA A 44 VAL H 1.0 . 1.73 262 262 A 43 LYS HBx A 44 VAL H 1.0 . 2.85 263 263 A 43 LYS HGx A 44 VAL H 1.0 . 2.42 264 264 A 44 VAL HA A 44 VAL H 1.0 . 2.28 265 265 A 44 VAL HB A 44 VAL H 1.0 . 3.02 266 266 A 44 VAL H A 44 VAL HGx% 1.0 . 1.67 267 267 A 44 VAL H A 51 GLY H 1.0 . 2.83 268 268 A 44 VAL H A 52 PHE HA 1.0 . 2.68 269 269 A 32 THR HB A 45 GLU H 1.0 . 2.44 270 270 A 45 GLU H A 33 LEU HA 1.0 . 3.31 271 271 A 45 GLU H A 34 LEU HG 1.0 . 2.65 272 272 A 44 VAL HB A 45 GLU H 1.0 . 1.88 273 273 A 45 GLU H A 44 VAL HGx% 1.0 . 2.42 274 274 A 45 GLU H A 45 GLU HA 1.0 . 1.84 275 275 A 45 GLU H A 45 GLU HBx 1.0 . 2.26 276 276 A 23 VAL HB A 46 VAL H 1.0 . 3.70 277 277 A 46 VAL H A 23 VAL HGy% 1.0 . 2.66 278 278 A 45 GLU HA A 46 VAL H 1.0 . 1.72 279 279 A 46 VAL H A 45 GLU HGy 1.0 . 2.46 280 280 A 46 VAL H A 45 GLU HGy 1.0 . 2.23 281 280 A 46 VAL H A 45 GLU HGx 1.0 . 2.23 282 281 A 46 VAL H A 46 VAL HA 1.0 . 2.24 283 282 A 46 VAL H A 46 VAL HB 1.0 . 2.54 284 283 A 46 VAL H A 46 VAL HGx% 1.0 . 2.02 285 284 A 46 VAL H A 49 ARG H 1.0 . 2.90 286 285 A 46 VAL H A 49 ARG HBx 1.0 . 2.72 287 286 A 46 VAL HA A 47 ASN H 1.0 . 1.75 288 287 A 46 VAL HB A 47 ASN H 1.0 . 3.00 289 288 A 47 ASN H A 46 VAL HGy% 1.0 . 2.33 290 289 A 47 ASN HD2x A 46 VAL HGx% 1.0 . 3.38 291 290 A 47 ASN HD2y A 46 VAL HGx% 1.0 . 3.34 292 291 A 47 ASN H A 47 ASN HA 1.0 . 1.80 293 292 A 47 ASN H A 47 ASN HBx 1.0 . 2.83 294 293 A 47 ASN H A 47 ASN HBy 1.0 . 3.01 295 294 A 47 ASN HBx A 47 ASN HD2x 1.0 . 2.26 296 295 A 47 ASN HBy A 47 ASN HD2x 1.0 . 3.55 297 296 A 47 ASN HD2y A 47 ASN HD2x 1.0 . 1.91 298 297 A 47 ASN HD2y A 47 ASN HBx 1.0 . 2.84 299 298 A 47 ASN HD2y A 47 ASN HBy 1.0 . 3.54 300 299 A 47 ASN H A 48 ASP H 1.0 . 2.92 301 300 A 48 ASP H A 45 GLU HGy 1.0 . 3.08 302 301 A 48 ASP H A 46 VAL HGx% 1.0 . 3.29 303 302 A 47 ASN HA A 48 ASP H 1.0 . 2.32 304 303 A 47 ASN HBx A 48 ASP H 1.0 . 2.12 305 304 A 48 ASP H A 48 ASP HA 1.0 . 1.92 306 305 A 49 ARG H A 48 ASP H 1.0 . 2.17 307 306 A 45 GLU HA A 49 ARG H 1.0 . 3.92 308 307 A 49 ARG H A 46 VAL HGx% 1.0 . 3.21 309 308 A 49 ARG H A 47 ASN HBy 1.0 . 3.86 310 309 A 49 ARG H A 49 ARG HBx 1.0 . 2.29 311 310 A 49 ARG H A 49 ARG HGx 1.0 . 2.76 312 311 A 50 GLN HE2x A 1 MET HBx 1.0 . 3.05 313 312 A 1 MET HBx A 50 GLN HE2y 1.0 . 2.73 314 313 A 23 VAL HGy% A 50 GLN H 1.0 . 2.94 315 314 A 23 VAL HGy% A 50 GLN HE2x 1.0 . 2.90 316 315 A 23 VAL HGy% A 50 GLN HE2y 1.0 . 2.94 317 316 A 49 ARG HGx A 50 GLN H 1.0 . 3.00 318 317 A 50 GLN H A 49 ARG HDx 1.0 . 3.87 319 318 A 50 GLN H A 50 GLN HA 1.0 . 2.38 320 319 A 50 GLN H A 50 GLN HBy 1.0 . 2.19 321 320 A 50 GLN HE2x A 50 GLN HGy 1.0 . 3.11 322 321 A 50 GLN HE2x A 50 GLN HE2y 1.0 . 1.80 323 322 A 50 GLN HE2y A 50 GLN HGy 1.0 . 2.81 324 323 A 51 GLY H A 23 VAL HGy% 1.0 . 2.12 325 324 A 33 LEU HA A 51 GLY H 1.0 . 3.43 326 325 A 34 LEU HDx% A 51 GLY H 1.0 . 2.82 327 326 A 43 LYS HGx A 51 GLY H 1.0 . 2.76 328 327 A 44 VAL HA A 51 GLY H 1.0 . 2.62 329 328 A 44 VAL HB A 51 GLY H 1.0 . 3.25 330 329 A 51 GLY H A 50 GLN HA 1.0 . 1.77 331 330 A 51 GLY H A 50 GLN HBy 1.0 . 2.74 332 331 A 51 GLY H A 50 GLN HGy 1.0 . 3.89 333 332 A 51 GLY H A 51 GLY HAx 1.0 . 2.16 334 333 A 22 GLU HA A 52 PHE H 1.0 . 1.74 335 334 A 23 VAL HG11 A 52 PHE H 1.0 . 2.62 336 335 A 52 PHE H A 51 GLY HAx 1.0 . 1.90 337 336 A 52 PHE H A 52 PHE HA 1.0 . 2.31 338 337 A 52 PHE H A 52 PHE HBx 1.0 . 2.14 339 338 A 52 PHE H A 52 PHE HBy 1.0 . 2.64 340 339 A 52 PHE H A 52 PHE HD% 1.0 . 1.97 341 340 A 23 VAL H A 53 VAL H 1.0 . 3.52 342 341 A 23 VAL HB A 53 VAL H 1.0 . 3.15 343 342 A 53 VAL H A 23 VAL HGy% 1.0 . 1.90 344 343 A 41 TRP HE3 A 53 VAL H 1.0 . 2.29 345 344 A 53 VAL H A 42 TRP HBx 1.0 . 3.24 346 345 A 42 TRP HBy A 53 VAL H 1.0 . 3.14 347 346 A 53 VAL H A 43 LYS HA 1.0 . 2.98 348 347 A 53 VAL H A 43 LYS HBx 1.0 . 2.67 349 348 A 53 VAL H A 52 PHE HA 1.0 . 1.73 350 349 A 53 VAL H A 52 PHE HBx 1.0 . 2.97 351 350 A 53 VAL H A 52 PHE HBy 1.0 . 2.52 352 351 A 53 VAL H A 53 VAL HA 1.0 . 2.32 353 352 A 53 VAL H A 54 PRO HBx 1.0 . 2.82 354 353 A 40 ASP HA A 55 ALA H 1.0 . 2.77 355 354 A 41 TRP HA A 55 ALA H 1.0 . 2.18 356 355 A 55 ALA H A 54 PRO HA 1.0 . 1.72 357 356 A 55 ALA H A 54 PRO HBx 1.0 . 3.20 358 357 A 55 ALA H A 54 PRO HBy 1.0 . 3.02 359 358 A 55 ALA H A 55 ALA HA 1.0 . 2.13 360 359 A 55 ALA HB% A 55 ALA H 1.0 . 1.59 361 360 A 55 ALA H A 56 ALA H 1.0 . 2.20 362 361 A 54 PRO HA A 56 ALA H 1.0 . 3.23 363 362 A 54 PRO HBx A 56 ALA H 1.0 . 2.94 364 363 A 55 ALA HA A 56 ALA H 1.0 . 2.78 365 364 A 55 ALA HB% A 56 ALA H 1.0 . 2.01 366 365 A 56 ALA H A 56 ALA HA 1.0 . 2.29 367 366 A 56 ALA H A 56 ALA HB% 1.0 . 1.70 368 367 A 25 MET HE% A 57 TYR H 1.0 . 2.92 369 368 A 55 ALA HA A 57 TYR H 1.0 . 2.71 370 369 A 56 ALA HA A 57 TYR H 1.0 . 2.59 371 370 A 57 TYR H A 57 TYR HBx 1.0 . 2.16 372 371 A 57 TYR HBy A 57 TYR H 1.0 . 2.58 373 372 A 57 TYR H A 57 TYR HD% 1.0 . 2.29 374 373 A 55 ALA HA A 58 VAL H 1.0 . 2.97 375 374 A 56 ALA HA A 58 VAL H 1.0 . 2.75 376 375 A 57 TYR H A 58 VAL H 1.0 . 2.02 377 376 A 58 VAL H A 57 TYR HA 1.0 . 2.67 378 377 A 57 TYR HBx A 58 VAL H 1.0 . 3.19 379 378 A 58 VAL HA A 58 VAL H 1.0 . 2.29 380 379 A 58 VAL H A 58 VAL HB 1.0 . 2.80 381 380 A 58 VAL H A 58 VAL HG11 1.0 . 1.82 382 381 A 9 VAL HGx% A 59 LYS H 1.0 . 3.12 383 382 A 10 LEU H A 59 LYS H 1.0 . 2.17 384 383 A 10 LEU HBx A 59 LYS H 1.0 . 2.46 385 384 A 58 VAL HA A 59 LYS H 1.0 . 1.82 386 385 A 59 LYS H A 59 LYS HBx 1.0 . 2.03 387 386 A 9 VAL HGx% A 60 LYS H 1.0 . 2.88 388 387 A 60 LYS H A 58 VAL HG11 1.0 . 2.96 389 388 A 60 LYS H A 59 LYS HA 1.0 . 1.80 390 389 A 60 LYS HA A 60 LYS H 1.0 . 2.33 391 390 A 60 LYS HBx A 60 LYS H 1.0 . 2.15 392 391 A 60 LYS H A 60 LYS HBy 1.0 . 2.49 393 392 A 60 LYS H A 60 LYS HGx 1.0 . 2.57 394 393 A 9 VAL HA A 61 LEU H 1.0 . 2.03 395 394 A 9 VAL HGx% A 61 LEU H 1.0 . 2.53 396 395 A 60 LYS HBy A 61 LEU H 1.0 . 2.70 397 396 A 60 LYS HGx A 61 LEU H 1.0 . 3.18 398 397 A 61 LEU H A 61 LEU HA 1.0 . 1.65 399 398 A 61 LEU H A 61 LEU HBx 1.0 . 2.05 400 399 A 61 LEU HDx% A 61 LEU H 1.0 . 2.52 401 400 A 61 LEU H A 62 ASP H 1.0 . 2.10 402 401 A 62 ASP H A 62 ASP HBx 1.0 . 2.56 403 402 A 6 LYS HGy A 33 LEU HDx% 1.0 . 2.38 404 403 A 6 LYS HDy A 42 TRP HBy 1.0 . 3.26 405 404 A 6 LYS HDy A 42 TRP HBy 1.0 . 3.37 406 405 A 8 LEU HA A 8 LEU HBx 1.0 . 2.12 407 406 A 9 VAL HA A 9 VAL HGx% 1.0 . 2.38 408 407 A 9 VAL HGx% A 42 TRP HE3 1.0 . 2.74 409 408 A 9 VAL HA A 60 LYS HA 1.0 . 2.13 410 409 A 10 LEU HA A 10 LEU HBx 1.0 . 2.13 411 410 A 10 LEU HA A 10 LEU HDx% 1.0 . 2.24 412 411 A 10 LEU HDx% A 28 GLY HAy 1.0 . 2.44 413 412 A 11 ALA HA A 58 VAL HA 1.0 . 2.76 414 413 A 10 LEU HBx A 12 LEU HBx 1.0 . 2.60 415 414 A 12 LEU HA A 12 LEU HBx 1.0 . 2.61 416 415 A 12 LEU HA A 12 LEU HBy 1.0 . 2.49 417 416 A 11 ALA HB% A 13 TYR HBy 1.0 . 2.99 418 417 A 15 TYR HE% A 13 TYR HD% 1.0 . 2.09 419 418 A 13 TYR HBx A 57 TYR HD% 1.0 . 1.95 420 419 A 13 TYR HE% A 57 TYR HA 1.0 . 2.37 421 420 A 13 TYR HD% A 15 TYR HBx 1.0 . 2.59 422 421 A 15 TYR HA A 15 TYR HBx 1.0 . 2.93 423 422 A 15 TYR HE% A 15 TYR HBx 1.0 . 2.48 424 423 A 15 TYR HE% A 15 TYR HBx 1.0 . 2.51 425 424 A 15 TYR HE% A 17 GLU HA 1.0 . 2.69 426 425 A 25 MET HGx A 15 TYR HBx 1.0 . 2.86 427 426 A 25 MET HGy A 15 TYR HBx 1.0 . 2.86 428 427 A 16 GLN HA A 15 TYR HBy 1.0 . 2.17 429 427 A 16 GLN HA A 15 TYR HBx 1.0 . 2.17 430 428 A 17 GLU HA A 17 GLU HBx 1.0 . 2.31 431 429 A 22 GLU HGx A 17 GLU HA 1.0 . 3.13 432 430 A 18 LYS HDy A 17 GLU HA 1.0 . 4.02 433 431 A 18 LYS HA A 18 LYS HBx 1.0 . 2.59 434 432 A 18 LYS HBx A 18 LYS HGy 1.0 . 2.51 435 433 A 19 SER HA A 19 SER HBx 1.0 . 2.59 436 434 A 19 SER HA A 19 SER HBy 1.0 . 2.27 437 435 A 19 SER HBy A 20 PRO HDx 1.0 . 2.48 438 436 A 19 SER HBy A 20 PRO HBx 1.0 . 3.14 439 437 A 19 SER HA A 20 PRO HDx 1.0 . 1.98 440 438 A 20 PRO HDx A 20 PRO HBx 1.0 . 3.22 441 439 A 20 PRO HBy A 20 PRO HGy 1.0 . 2.43 442 440 A 20 PRO HDx A 20 PRO HGy 1.0 . 2.29 443 441 A 20 PRO HDx A 20 PRO HGx 1.0 . 1.97 444 441 A 20 PRO HDx A 20 PRO HGy 1.0 . 1.97 445 442 A 21 ARG HA A 21 ARG HBy 1.0 . 2.41 446 443 A 21 ARG HGx A 21 ARG HBy 1.0 . 2.53 447 444 A 21 ARG HDx A 21 ARG HBy 1.0 . 2.93 448 445 A 20 PRO HBy A 22 GLU HA 1.0 . 2.36 449 446 A 22 GLU HGx A 22 GLU HA 1.0 . 2.24 450 447 A 22 GLU HBy A 41 TRP HH2 1.0 . 3.00 451 448 A 22 GLU HA A 52 PHE HE% 1.0 . 2.43 452 449 A 23 VAL HA A 23 VAL HB 1.0 . 2.02 453 450 A 23 VAL HA A 23 VAL HG11 1.0 . 2.57 454 451 A 23 VAL HB A 23 VAL HG11 1.0 . 1.82 455 452 A 23 VAL HB A 46 VAL HGy% 1.0 . 2.36 456 453 A 24 THR HG2% A 24 THR HA 1.0 . 2.39 457 454 A 24 THR HG2% A 24 THR HB 1.0 . 1.94 458 455 A 27 LYS HA A 27 LYS HGx 1.0 . 3.04 459 456 A 27 LYS HA A 27 LYS HBy 1.0 . 1.93 460 456 A 27 LYS HA A 27 LYS HBx 1.0 . 1.93 461 457 A 27 LYS HA A 27 LYS HBx 1.0 . 2.15 462 458 A 27 LYS HA A 27 LYS HBy 1.0 . 2.39 463 459 A 27 LYS HGx A 27 LYS HBy 1.0 . 2.60 464 460 A 30 ILE HA A 30 ILE HD11 1.0 . 2.48 465 461 A 30 ILE HB A 30 ILE HD11 1.0 . 2.13 466 462 A 31 LEU HBx A 44 VAL HB 1.0 . 2.46 467 463 A 32 THR HA A 32 THR HG2% 1.0 . 2.28 468 464 A 32 THR HB A 32 THR HG2% 1.0 . 2.07 469 465 A 33 LEU HDx% A 42 TRP HBy 1.0 . 2.22 470 466 A 33 LEU HDx% A 42 TRP HZ3 1.0 . 1.98 471 467 A 34 LEU HA A 34 LEU HBy 1.0 . 2.18 472 468 A 36 SER HBx A 2 ASP HA 1.0 . 2.36 473 469 A 36 SER HBy A 2 ASP HA 1.0 . 2.37 474 470 A 33 LEU HDx% A 36 SER HBx 1.0 . 1.92 475 471 A 36 SER HA A 36 SER HBx 1.0 . 1.96 476 472 A 36 SER HBx A 36 SER HBy 1.0 . 1.49 477 473 A 6 LYS HGy A 37 THR HA 1.0 . 2.20 478 474 A 6 LYS HGy A 37 THR HB 1.0 . 2.47 479 475 A 38 ASN HA A 38 ASN HBx 1.0 . 2.40 480 476 A 38 ASN HBx A 38 ASN HBy 1.0 . 1.91 481 477 A 38 ASN HA A 38 ASN HBy 1.0 . 2.33 482 478 A 39 LYS HA A 39 LYS HBx 1.0 . 2.09 483 479 A 40 ASP HA A 40 ASP HBx 1.0 . 2.12 484 480 A 40 ASP HBx A 40 ASP HBy 1.0 . 1.91 485 481 A 40 ASP HBy A 41 TRP HD1 1.0 . 2.19 486 482 A 41 TRP HH2 A 41 TRP HZ3 1.0 . 1.88 487 483 A 36 SER HA A 42 TRP HA 1.0 . 2.68 488 484 A 55 ALA HB% A 42 TRP HH2 1.0 . 2.46 489 485 A 43 LYS HA A 43 LYS HBx 1.0 . 2.10 490 486 A 43 LYS HBy A 43 LYS HGx 1.0 . 2.09 491 487 A 43 LYS HGx A 43 LYS HDx 1.0 . 2.69 492 488 A 31 LEU HBy A 46 VAL HB 1.0 . 3.50 493 489 A 46 VAL HA A 46 VAL HGy% 1.0 . 1.89 494 489 A 46 VAL HA A 46 VAL HGx% 1.0 . 1.89 495 490 A 46 VAL HB A 46 VAL HGy% 1.0 . 1.06 496 490 A 46 VAL HB A 46 VAL HGx% 1.0 . 1.06 497 491 A 47 ASN HA A 47 ASN HBx 1.0 . 2.68 498 492 A 48 ASP HA A 48 ASP HBy 1.0 . 2.61 499 493 A 49 ARG HGx A 49 ARG HDx 1.0 . 2.85 500 494 A 49 ARG HGx A 49 ARG HDx 1.0 . 2.85 501 495 A 21 ARG HGx A 52 PHE HBx 1.0 . 2.76 502 496 A 52 PHE HA A 52 PHE HBy 1.0 . 2.19 503 497 A 1 MET HA A 54 PRO HDx 1.0 . 2.21 504 498 A 41 TRP HA A 54 PRO HA 1.0 . 2.20 505 499 A 54 PRO HA A 54 PRO HBx 1.0 . 2.43 506 500 A 54 PRO HA A 58 VAL HG21 1.0 . 2.43 507 500 A 54 PRO HA A 58 VAL HG11 1.0 . 2.43 508 501 A 40 ASP HA A 55 ALA HB% 1.0 . 2.35 509 502 A 55 ALA HB% A 55 ALA HA 1.0 . 1.65 510 503 A 56 ALA HA A 56 ALA HB% 1.0 . 2.20 511 504 A 57 TYR HD% A 57 TYR HA 1.0 . 2.17 512 505 A 11 ALA HA A 58 VAL HG21 1.0 . 2.10 513 506 A 55 ALA HA A 58 VAL HG11 1.0 . 2.25 514 507 A 58 VAL HA A 58 VAL HG21 1.0 . 1.69 515 507 A 58 VAL HA A 58 VAL HG11 1.0 . 1.69 516 508 A 59 LYS HBx A 59 LYS HA 1.0 . 2.46 517 509 A 9 VAL HGx% A 60 LYS HA 1.0 . 1.88 518 510 A 60 LYS HBx A 60 LYS HBy 1.0 . 1.92 519 511 A 61 LEU HA A 61 LEU HBx 1.0 . 2.61 stop_ save_ save_DYANA/DIANA_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_5 _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 2 ASP C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -154.875 -115.715 PHI 2 2 A 2 ASP C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -180.295 -120.295 PHI 3 3 A 3 GLU C A 4 THR N A 4 THR CA A 4 THR C 1.0 -166.946 -83.946 PHI 4 4 A 6 LYS C A 7 GLU N A 7 GLU CA A 7 GLU C 1.0 -135.883 -90.129 PHI 5 5 A 7 GLU C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -121.912 -84.234 PHI 6 6 A 7 GLU C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -166.316 -73.684 PHI 7 7 A 8 LEU C A 9 VAL N A 9 VAL CA A 9 VAL C 1.0 -152.352 -109.542 PHI 8 8 A 9 VAL C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -132.877 -102.751 PHI 9 9 A 10 LEU C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -118.028 -92.078 PHI 10 10 A 10 LEU C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -192.385 -132.385 PHI 11 11 A 12 LEU C A 13 TYR N A 13 TYR CA A 13 TYR C 1.0 -160.081 -118.169 PHI 12 12 A 12 LEU C A 13 TYR N A 13 TYR CA A 13 TYR C 1.0 -156.834 -83.166 PHI 13 13 A 14 ASP C A 15 TYR N A 15 TYR CA A 15 TYR C 1.0 -136.498 -82.310 PHI 14 14 A 14 ASP C A 15 TYR N A 15 TYR CA A 15 TYR C 1.0 -176.900 -63.100 PHI 15 15 A 15 TYR C A 16 GLN N A 16 GLN CA A 16 GLN C 1.0 -138.215 -89.197 PHI 16 16 A 15 TYR C A 16 GLN N A 16 GLN CA A 16 GLN C 1.0 -157.034 -82.966 PHI 17 17 A 16 GLN C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -142.025 -98.917 PHI 18 18 A 21 ARG C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -132.807 -90.749 PHI 19 19 A 23 VAL C A 24 THR N A 24 THR CA A 24 THR C 1.0 -120.113 -94.111 PHI 20 20 A 23 VAL C A 24 THR N A 24 THR CA A 24 THR C 1.0 -171.554 -68.446 PHI 21 21 A 24 THR C A 25 MET N A 25 MET CA A 25 MET C 1.0 -131.376 -106.380 PHI 22 22 A 24 THR C A 25 MET N A 25 MET CA A 25 MET C 1.0 -156.303 -83.697 PHI 23 23 A 25 MET C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -150.918 -46.092 PHI 24 24 A 26 LYS C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -99.141 -73.517 PHI 25 25 A 28 GLY C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 -154.416 -105.482 PHI 26 26 A 28 GLY C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 -94.274 -34.274 PHI 27 27 A 29 ASP C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -143.692 -107.058 PHI 28 28 A 29 ASP C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -160.676 -79.324 PHI 29 29 A 31 LEU C A 32 THR N A 32 THR CA A 32 THR C 1.0 -123.122 -84.484 PHI 30 30 A 31 LEU C A 32 THR N A 32 THR CA A 32 THR C 1.0 -171.737 -68.263 PHI 31 31 A 32 THR C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -118.571 -88.523 PHI 32 32 A 32 THR C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -179.941 -60.059 PHI 33 33 A 40 ASP C A 41 TRP N A 41 TRP CA A 41 TRP C 1.0 -123.042 -98.854 PHI 34 34 A 41 TRP C A 42 TRP N A 42 TRP CA A 42 TRP C 1.0 -134.110 -92.050 PHI 35 35 A 42 TRP C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -107.598 -87.838 PHI 36 36 A 43 LYS C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -139.570 -108.352 PHI 37 37 A 44 VAL C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -173.369 -48.431 PHI 38 38 A 45 GLU C A 46 VAL N A 46 VAL CA A 46 VAL C 1.0 -122.307 -86.663 PHI 39 39 A 45 GLU C A 46 VAL N A 46 VAL CA A 46 VAL C 1.0 -171.820 -68.180 PHI 40 40 A 49 ARG C A 50 GLN N A 50 GLN CA A 50 GLN C 1.0 -138.391 -100.047 PHI 41 41 A 51 GLY C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -155.533 -93.139 PHI 42 42 A 51 GLY C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -167.507 -72.493 PHI 43 43 A 52 PHE C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -105.584 -69.746 PHI 44 44 A 57 TYR C A 58 VAL N A 58 VAL CA A 58 VAL C 1.0 -155.349 -99.921 PHI 45 45 A 58 VAL C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -144.834 -102.716 PHI 46 46 A 59 LYS C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -129.880 -72.630 PHI 47 47 A 59 LYS C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -202.742 -142.742 PHI 48 48 A 2 ASP N A 2 ASP CA A 2 ASP C A 3 GLU N 1.0 130.950 161.652 PSI 49 49 A 3 GLU N A 3 GLU CA A 3 GLU C A 4 THR N 1.0 108.949 165.327 PSI 50 50 A 7 GLU N A 7 GLU CA A 7 GLU C A 8 LEU N 1.0 100.510 139.040 PSI 51 51 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 VAL N 1.0 117.331 174.037 PSI 52 52 A 9 VAL N A 9 VAL CA A 9 VAL C A 10 LEU N 1.0 149.858 163.764 PSI 53 53 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 ALA N 1.0 116.121 145.589 PSI 54 54 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 LEU N 1.0 103.763 127.419 PSI 55 55 A 13 TYR N A 13 TYR CA A 13 TYR C A 14 ASP N 1.0 154.952 179.432 PSI 56 56 A 15 TYR N A 15 TYR CA A 15 TYR C A 16 GLN N 1.0 107.423 147.831 PSI 57 57 A 16 GLN N A 16 GLN CA A 16 GLN C A 17 GLU N 1.0 108.501 155.635 PSI 58 58 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 LYS N 1.0 115.779 166.361 PSI 59 59 A 20 PRO N A 20 PRO CA A 20 PRO C A 21 ARG N 1.0 -30.922 -7.402 PSI 60 60 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 VAL N 1.0 148.918 171.726 PSI 61 61 A 24 THR N A 24 THR CA A 24 THR C A 25 MET N 1.0 120.748 157.128 PSI 62 62 A 25 MET N A 25 MET CA A 25 MET C A 26 LYS N 1.0 118.185 154.167 PSI 63 63 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 GLY N 1.0 99.531 147.455 PSI 64 64 A 29 ASP N A 29 ASP CA A 29 ASP C A 30 ILE N 1.0 127.711 174.127 PSI 65 65 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 LEU N 1.0 122.559 145.087 PSI 66 66 A 32 THR N A 32 THR CA A 32 THR C A 33 LEU N 1.0 104.068 136.714 PSI 67 67 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 LEU N 1.0 108.592 135.948 PSI 68 68 A 41 TRP N A 41 TRP CA A 41 TRP C A 42 TRP N 1.0 124.411 139.147 PSI 69 69 A 42 TRP N A 42 TRP CA A 42 TRP C A 43 LYS N 1.0 105.895 154.341 PSI 70 70 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 VAL N 1.0 106.145 139.869 PSI 71 71 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 GLU N 1.0 129.188 171.092 PSI 72 72 A 46 VAL N A 46 VAL CA A 46 VAL C A 47 ASN N 1.0 110.610 134.896 PSI 73 73 A 49 ARG N A 49 ARG CA A 49 ARG C A 50 GLN N 1.0 86.159 191.435 PSI 74 74 A 50 GLN N A 50 GLN CA A 50 GLN C A 51 GLY N 1.0 138.708 163.908 PSI 75 75 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 VAL N 1.0 143.781 160.761 PSI 76 76 A 57 TYR N A 57 TYR CA A 57 TYR C A 58 VAL N 1.0 36.820 50.998 PSI 77 77 A 58 VAL N A 58 VAL CA A 58 VAL C A 59 LYS N 1.0 112.136 186.310 PSI 78 78 A 59 LYS N A 59 LYS CA A 59 LYS C A 60 LYS N 1.0 121.484 161.292 PSI 79 79 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 LEU N 1.0 108.861 168.921 PSI 80 80 A 1 MET C A 2 ASP N A 2 ASP CA A 2 ASP C 1.0 -182.634 -122.634 PHI 81 81 A 5 GLY C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -178.502 -61.498 PHI 82 82 A 11 ALA C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -111.040 -51.040 PHI 83 83 A 13 TYR C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -188.484 -128.484 PHI 84 84 A 18 LYS C A 19 SER N A 19 SER CA A 19 SER C 1.0 -192.796 -132.796 PHI 85 85 A 20 PRO C A 21 ARG N A 21 ARG CA A 21 ARG C 1.0 -177.169 -62.831 PHI 86 86 A 34 LEU C A 35 ASN N A 35 ASN CA A 35 ASN C 1.0 -180.064 -120.064 PHI 87 87 A 37 THR C A 38 ASN N A 38 ASN CA A 38 ASN C 1.0 -170.678 -69.322 PHI 88 88 A 38 ASN C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -85.331 -25.331 PHI 89 89 A 46 VAL C A 47 ASN N A 47 ASN CA A 47 ASN C 1.0 -111.553 -51.553 PHI 90 90 A 47 ASN C A 48 ASP N A 48 ASP CA A 48 ASP C 1.0 -126.783 -66.783 PHI 91 91 A 60 LYS C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -175.846 -64.154 PHI 92 92 A 61 LEU C A 62 ASP N A 62 ASP CA A 62 ASP C 1.0 -119.462 -59.462 PHI stop_ save_