data_nef_c17431_2l8y save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 45 CYS SG 1 89 CYS SG 1 80 CYS SG 1 95 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 30 MET start . . 2 A 31 ALA middle . . 3 A 32 PRO middle . false 4 A 33 GLN middle . . 5 A 34 PRO middle . false 6 A 35 LYS middle . . 7 A 36 ALA middle . . 8 A 37 GLU middle . . 9 A 38 PRO middle . false 10 A 39 ALA middle . . 11 A 40 LYS middle . . 12 A 41 PRO middle . false 13 A 42 LYS middle . . 14 A 43 ALA middle . . 15 A 44 PRO middle . false 16 A 45 ARG middle . . 17 A 46 ALA middle . . 18 A 47 THR middle . . 19 A 48 PRO middle . false 20 A 49 VAL middle . . 21 A 50 ARG middle . . 22 A 51 ILE middle . . 23 A 52 TYR middle . . 24 A 53 THR middle . . 25 A 54 ASN middle . . 26 A 55 ALA middle . . 27 A 56 GLU middle . . 28 A 57 GLU middle . . 29 A 58 LEU middle . . 30 A 59 VAL middle . . 31 A 60 GLY middle . false 32 A 61 LYS middle . . 33 A 62 PRO middle . false 34 A 63 PHE middle . . 35 A 64 ARG middle . . 36 A 65 ASP middle . . 37 A 66 LEU middle . . 38 A 67 GLY middle . false 39 A 68 GLU middle . . 40 A 69 VAL middle . . 41 A 70 SER middle . . 42 A 71 GLY middle . false 43 A 72 ASP middle . . 44 A 73 SER middle . . 45 A 74 CYS middle -HG . 46 A 75 GLN middle . . 47 A 76 ALA middle . . 48 A 77 SER middle . . 49 A 78 ASN middle . . 50 A 79 GLN middle . . 51 A 80 ASP middle . . 52 A 81 SER middle . . 53 A 82 PRO middle . false 54 A 83 PRO middle . false 55 A 84 SER middle . . 56 A 85 ILE middle . . 57 A 86 PRO middle . false 58 A 87 THR middle . . 59 A 88 ALA middle . . 60 A 89 ARG middle . . 61 A 90 LYS middle . . 62 A 91 ARG middle . . 63 A 92 MET middle . . 64 A 93 GLN middle . . 65 A 94 ILE middle . . 66 A 95 ASN middle . . 67 A 96 ALA middle . . 68 A 97 SER middle . . 69 A 98 LYS middle . . 70 A 99 MET middle . . 71 A 100 LYS middle . . 72 A 101 ALA middle . . 73 A 102 ASN middle . . 74 A 103 ALA middle . . 75 A 104 VAL middle . . 76 A 105 LEU middle . . 77 A 106 LEU middle . . 78 A 107 HIS middle . . 79 A 108 SER middle . . 80 A 109 CYS middle -HG . 81 A 110 GLU middle . . 82 A 111 VAL middle . . 83 A 112 THR middle . . 84 A 113 SER middle . . 85 A 114 GLY middle . false 86 A 115 THR middle . . 87 A 116 PRO middle . false 88 A 117 GLY middle . false 89 A 118 CYS middle -HG . 90 A 119 TYR middle . . 91 A 120 ARG middle . . 92 A 121 GLN middle . . 93 A 122 ALA middle . . 94 A 123 VAL middle . . 95 A 124 CYS middle -HG . 96 A 125 ILE middle . . 97 A 126 GLY middle . false 98 A 127 SER middle . . 99 A 128 ALA middle . . 100 A 129 LEU middle . . 101 A 130 ASN middle . . 102 A 131 ILE middle . . 103 A 132 THR middle . . 104 A 133 ALA middle . . 105 A 134 LYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 30 MET H1 H 1 6.71 0.03 A 30 MET HA H 1 4.71 0.03 A 30 MET HBy H 1 2.26 0.03 A 30 MET HBx H 1 2.06 0.03 A 30 MET HGy H 1 2.87 0.03 A 30 MET HGx H 1 1.84 0.03 A 30 MET C C 13 175.2 0.20 A 30 MET CA C 13 55.2 0.20 A 30 MET CB C 13 33.1 0.20 A 30 MET CG C 13 32.0 0.20 A 30 MET N N 15 112.4 0.20 A 31 ALA H H 1 8.28 0.03 A 31 ALA HA H 1 4.74 0.03 A 31 ALA HB% H 1 1.54 0.03 A 31 ALA C C 13 176.7 0.20 A 31 ALA CA C 13 50.5 0.20 A 31 ALA CB C 13 18.1 0.20 A 31 ALA N N 15 125.0 0.20 A 32 PRO HA H 1 4.30 0.03 A 32 PRO C C 13 175.2 0.20 A 32 PRO CA C 13 62.6 0.20 A 33 GLN H H 1 8.47 0.03 A 33 GLN HA H 1 4.22 0.03 A 33 GLN HBx H 1 1.85 0.03 A 33 GLN HBy H 1 1.90 0.03 A 33 GLN HE2x H 1 7.12 0.03 A 33 GLN HGy H 1 2.19 0.03 A 33 GLN HGx H 1 1.73 0.03 A 33 GLN C C 13 176.0 0.20 A 33 GLN CA C 13 56.3 0.20 A 33 GLN CB C 13 30.0 0.20 A 33 GLN N N 15 121.2 0.20 A 34 PRO C C 13 175.2 0.20 A 34 PRO CB C 13 32.2 0.20 A 34 PRO CD C 13 50.6 0.20 A 34 PRO CG C 13 27.4 0.20 A 35 LYS CA C 13 56.1 0.20 A 35 LYS CB C 13 33.2 0.20 A 35 LYS CE C 13 42.2 0.20 A 35 LYS CG C 13 24.7 0.20 A 36 ALA HA H 1 4.74 0.03 A 36 ALA HB% H 1 1.40 0.03 A 36 ALA CA C 13 52.1 0.20 A 36 ALA CB C 13 19.4 0.20 A 37 GLU C C 13 178.9 0.20 A 37 GLU CA C 13 54.2 0.20 A 37 GLU CB C 13 29.9 0.20 A 38 PRO HA H 1 4.40 0.03 A 38 PRO HBx H 1 1.90 0.03 A 38 PRO HBy H 1 2.02 0.03 A 38 PRO HDx H 1 3.69 0.03 A 38 PRO HDy H 1 3.81 0.03 A 38 PRO HG2 H 1 2.30 0.03 A 38 PRO HG3 H 1 2.30 0.03 A 38 PRO C C 13 175.2 0.20 A 38 PRO CA C 13 62.9 0.20 A 38 PRO CB C 13 32.1 0.20 A 38 PRO CD C 13 50.7 0.20 A 38 PRO CG C 13 27.4 0.20 A 39 ALA H H 1 8.38 0.03 A 39 ALA HA H 1 4.27 0.03 A 39 ALA HB% H 1 1.36 0.03 A 39 ALA C C 13 177.6 0.20 A 39 ALA CA C 13 52.2 0.20 A 39 ALA CB C 13 19.2 0.20 A 39 ALA N N 15 124.5 0.20 A 40 LYS H H 1 8.29 0.03 A 40 LYS HA H 1 4.60 0.03 A 40 LYS HB2 H 1 1.75 0.03 A 40 LYS HB3 H 1 1.75 0.03 A 40 LYS HG2 H 1 1.50 0.03 A 40 LYS HG3 H 1 1.50 0.03 A 40 LYS C C 13 174.6 0.20 A 40 LYS CA C 13 54.1 0.20 A 40 LYS CB C 13 32.5 0.20 A 40 LYS N N 15 122.3 0.20 A 42 LYS CA C 13 56.1 0.20 A 42 LYS CB C 13 33.1 0.20 A 42 LYS CD C 13 29.1 0.20 A 42 LYS CE C 13 42.1 0.20 A 42 LYS CG C 13 24.8 0.20 A 43 ALA CA C 13 50.4 0.20 A 43 ALA CB C 13 18.1 0.20 A 47 THR HA H 1 4.55 0.03 A 47 THR HB H 1 4.13 0.03 A 47 THR HG2% H 1 1.24 0.03 A 47 THR CB C 13 69.9 0.20 A 47 THR CG2 C 13 21.4 0.20 A 48 PRO HA H 1 4.36 0.03 A 48 PRO HBx H 1 1.84 0.03 A 48 PRO HBy H 1 2.18 0.03 A 48 PRO HDx H 1 3.70 0.03 A 48 PRO HDy H 1 3.83 0.03 A 48 PRO HG2 H 1 2.03 0.03 A 48 PRO HG3 H 1 2.03 0.03 A 48 PRO C C 13 176.5 0.20 A 48 PRO CA C 13 63.1 0.20 A 48 PRO CB C 13 31.9 0.20 A 48 PRO CD C 13 51.1 0.20 A 48 PRO CG C 13 27.4 0.20 A 49 VAL H H 1 8.09 0.03 A 49 VAL HA H 1 3.83 0.03 A 49 VAL HB H 1 1.79 0.03 A 49 VAL HGx% H 1 0.86 0.03 A 49 VAL HGy% H 1 0.65 0.03 A 49 VAL C C 13 175.0 0.20 A 49 VAL CA C 13 61.7 0.20 A 49 VAL CB C 13 33.0 0.20 A 49 VAL CGx C 13 20.8 0.20 A 49 VAL CGy C 13 21.6 0.20 A 49 VAL N N 15 121.6 0.20 A 50 ARG H H 1 7.58 0.03 A 50 ARG HA H 1 4.08 0.03 A 50 ARG HBx H 1 1.62 0.03 A 50 ARG HBy H 1 1.74 0.03 A 50 ARG HD2 H 1 2.92 0.03 A 50 ARG HD3 H 1 2.92 0.03 A 50 ARG HGx H 1 1.09 0.03 A 50 ARG HGy H 1 1.26 0.03 A 50 ARG C C 13 174.7 0.20 A 50 ARG CA C 13 56.2 0.20 A 50 ARG CB C 13 31.4 0.20 A 50 ARG CD C 13 43.1 0.20 A 50 ARG CG C 13 26.9 0.20 A 50 ARG N N 15 128.6 0.20 A 51 ILE H H 1 8.48 0.03 A 51 ILE HA H 1 4.60 0.03 A 51 ILE HB H 1 1.62 0.03 A 51 ILE HD1% H 1 0.62 0.03 A 51 ILE HG1x H 1 0.68 0.03 A 51 ILE HG1y H 1 1.55 0.03 A 51 ILE HG2% H 1 0.65 0.03 A 51 ILE C C 13 176.0 0.20 A 51 ILE CA C 13 60.3 0.20 A 51 ILE CB C 13 38.6 0.20 A 51 ILE CD1 C 13 13.4 0.20 A 51 ILE CG1 C 13 27.9 0.20 A 51 ILE CG2 C 13 18.1 0.20 A 51 ILE N N 15 124.4 0.20 A 52 TYR H H 1 9.40 0.03 A 52 TYR HA H 1 4.69 0.03 A 52 TYR HBx H 1 2.49 0.03 A 52 TYR HBy H 1 2.89 0.03 A 52 TYR HD1 H 1 6.92 0.03 A 52 TYR HD2 H 1 6.92 0.03 A 52 TYR HE1 H 1 6.50 0.03 A 52 TYR HE2 H 1 6.50 0.03 A 52 TYR C C 13 175.4 0.20 A 52 TYR CA C 13 57.6 0.20 A 52 TYR CB C 13 40.5 0.20 A 52 TYR CD1 C 13 133.0 0.20 A 52 TYR CD2 C 13 133.0 0.20 A 52 TYR CE1 C 13 117.5 0.20 A 52 TYR CE2 C 13 117.5 0.20 A 52 TYR N N 15 128.9 0.20 A 53 THR H H 1 9.40 0.03 A 53 THR HA H 1 4.59 0.03 A 53 THR HB H 1 4.41 0.03 A 53 THR HG2% H 1 1.13 0.03 A 53 THR C C 13 174.2 0.20 A 53 THR CA C 13 62.0 0.20 A 53 THR CB C 13 69.8 0.20 A 53 THR CG2 C 13 21.9 0.20 A 53 THR N N 15 112.2 0.20 A 54 ASN H H 1 7.96 0.03 A 54 ASN HA H 1 4.95 0.03 A 54 ASN HBx H 1 2.83 0.03 A 54 ASN HBy H 1 2.96 0.03 A 54 ASN HD2x H 1 6.69 0.03 A 54 ASN C C 13 175.1 0.20 A 54 ASN CA C 13 52.5 0.20 A 54 ASN CB C 13 41.3 0.20 A 54 ASN N N 15 119.6 0.20 A 55 ALA H H 1 9.25 0.03 A 55 ALA HA H 1 3.82 0.03 A 55 ALA HB% H 1 1.46 0.03 A 55 ALA C C 13 180.0 0.20 A 55 ALA CA C 13 54.9 0.20 A 55 ALA CB C 13 18.1 0.20 A 55 ALA N N 15 127.2 0.20 A 56 GLU H H 1 8.89 0.03 A 56 GLU HA H 1 4.08 0.03 A 56 GLU HB2 H 1 2.04 0.03 A 56 GLU HB3 H 1 2.04 0.03 A 56 GLU HG2 H 1 2.35 0.03 A 56 GLU HG3 H 1 2.35 0.03 A 56 GLU C C 13 179.1 0.20 A 56 GLU CA C 13 59.2 0.20 A 56 GLU CB C 13 29.0 0.20 A 56 GLU CG C 13 36.6 0.20 A 56 GLU N N 15 119.4 0.20 A 57 GLU H H 1 7.85 0.03 A 57 GLU HA H 1 4.13 0.03 A 57 GLU HB2 H 1 2.25 0.03 A 57 GLU HB3 H 1 2.25 0.03 A 57 GLU HGx H 1 2.38 0.03 A 57 GLU HGy H 1 2.50 0.03 A 57 GLU C C 13 177.0 0.20 A 57 GLU CA C 13 58.1 0.20 A 57 GLU CB C 13 30.9 0.20 A 57 GLU CG C 13 37.8 0.20 A 57 GLU N N 15 117.0 0.20 A 58 LEU H H 1 7.40 0.03 A 58 LEU HA H 1 4.00 0.03 A 58 LEU HB2 H 1 1.54 0.03 A 58 LEU HB3 H 1 1.54 0.03 A 58 LEU HDx% H 1 -0.22 0.03 A 58 LEU HDy% H 1 0.12 0.03 A 58 LEU HG H 1 0.85 0.03 A 58 LEU C C 13 176.6 0.20 A 58 LEU CA C 13 54.2 0.20 A 58 LEU CB C 13 42.2 0.20 A 58 LEU CDx C 13 22.3 0.20 A 58 LEU CDy C 13 25.7 0.20 A 58 LEU CG C 13 26.9 0.20 A 58 LEU N N 15 116.5 0.20 A 59 VAL H H 1 6.99 0.03 A 59 VAL HA H 1 3.76 0.03 A 59 VAL HB H 1 2.05 0.03 A 59 VAL HGx% H 1 0.97 0.03 A 59 VAL HGy% H 1 1.10 0.03 A 59 VAL C C 13 177.7 0.20 A 59 VAL CA C 13 65.0 0.20 A 59 VAL CB C 13 31.6 0.20 A 59 VAL CGx C 13 20.8 0.20 A 59 VAL CGy C 13 22.4 0.20 A 59 VAL N N 15 119.9 0.20 A 60 GLY H H 1 8.90 0.03 A 60 GLY HA2 H 1 3.75 0.03 A 60 GLY HAx H 1 3.75 0.03 A 60 GLY HAy H 1 4.20 0.03 A 60 GLY C C 13 174.2 0.20 A 60 GLY CA C 13 45.2 0.20 A 60 GLY N N 15 115.2 0.20 A 61 LYS H H 1 8.02 0.03 A 61 LYS HA H 1 4.84 0.03 A 61 LYS HBx H 1 1.62 0.03 A 61 LYS HBy H 1 1.98 0.03 A 61 LYS HDx H 1 1.54 0.03 A 61 LYS HDy H 1 1.65 0.03 A 61 LYS HGx H 1 1.33 0.03 A 61 LYS HGy H 1 1.34 0.03 A 61 LYS C C 13 173.4 0.20 A 61 LYS CA C 13 53.1 0.20 A 61 LYS CB C 13 32.8 0.20 A 61 LYS CD C 13 29.5 0.20 A 61 LYS N N 15 121.5 0.20 A 62 PRO HA H 1 4.46 0.03 A 62 PRO HBx H 1 1.92 0.03 A 62 PRO HBy H 1 2.14 0.03 A 62 PRO HDx H 1 3.75 0.03 A 62 PRO HDy H 1 3.83 0.03 A 62 PRO HGx H 1 1.91 0.03 A 62 PRO HGy H 1 2.17 0.03 A 62 PRO C C 13 175.8 0.20 A 62 PRO CA C 13 62.6 0.20 A 62 PRO CB C 13 31.4 0.20 A 62 PRO CD C 13 50.4 0.20 A 62 PRO CG C 13 27.6 0.20 A 63 PHE H H 1 7.77 0.03 A 63 PHE HA H 1 5.57 0.03 A 63 PHE HBx H 1 2.63 0.03 A 63 PHE HBy H 1 3.02 0.03 A 63 PHE HD1 H 1 7.05 0.03 A 63 PHE HD2 H 1 7.05 0.03 A 63 PHE HE1 H 1 7.27 0.03 A 63 PHE HE2 H 1 7.27 0.03 A 63 PHE HZ H 1 7.24 0.03 A 63 PHE C C 13 173.8 0.20 A 63 PHE CA C 13 55.8 0.20 A 63 PHE CB C 13 43.0 0.20 A 63 PHE CD1 C 13 133.1 0.20 A 63 PHE CD2 C 13 133.1 0.20 A 63 PHE CE1 C 13 131.5 0.20 A 63 PHE CE2 C 13 131.5 0.20 A 63 PHE CZ C 13 130.0 0.20 A 63 PHE N N 15 116.4 0.20 A 64 ARG H H 1 8.50 0.03 A 64 ARG HA H 1 4.62 0.03 A 64 ARG HBx H 1 1.75 0.03 A 64 ARG HBy H 1 1.84 0.03 A 64 ARG HDx H 1 3.22 0.03 A 64 ARG HDy H 1 3.23 0.03 A 64 ARG HGy H 1 1.70 0.03 A 64 ARG HGx H 1 1.60 0.03 A 64 ARG C C 13 175.0 0.20 A 64 ARG CA C 13 54.4 0.20 A 64 ARG CB C 13 33.0 0.20 A 64 ARG CD C 13 43.4 0.20 A 64 ARG CG C 13 27.4 0.20 A 64 ARG N N 15 119.4 0.20 A 65 ASP H H 1 8.93 0.03 A 65 ASP HA H 1 4.89 0.03 A 65 ASP HBx H 1 2.56 0.03 A 65 ASP HBy H 1 2.97 0.03 A 65 ASP C C 13 176.5 0.20 A 65 ASP CA C 13 54.0 0.20 A 65 ASP CB C 13 41.7 0.20 A 65 ASP N N 15 126.0 0.20 A 66 LEU H H 1 9.44 0.03 A 66 LEU HA H 1 4.42 0.03 A 66 LEU HBx H 1 1.54 0.03 A 66 LEU HBy H 1 1.68 0.03 A 66 LEU HDx% H 1 0.82 0.03 A 66 LEU HDy% H 1 0.80 0.03 A 66 LEU HG H 1 1.64 0.03 A 66 LEU C C 13 176.9 0.20 A 66 LEU CA C 13 54.6 0.20 A 66 LEU CB C 13 42.3 0.20 A 66 LEU CDx C 13 22.4 0.20 A 66 LEU CDy C 13 25.9 0.20 A 66 LEU CG C 13 27.1 0.20 A 66 LEU N N 15 127.1 0.20 A 67 GLY H H 1 8.47 0.03 A 67 GLY HA2 H 1 3.83 0.03 A 67 GLY HAx H 1 3.83 0.03 A 67 GLY HAy H 1 4.54 0.03 A 67 GLY C C 13 172.5 0.20 A 67 GLY CA C 13 43.8 0.20 A 67 GLY N N 15 109.1 0.20 A 68 GLU H H 1 8.16 0.03 A 68 GLU HA H 1 4.78 0.03 A 68 GLU HBx H 1 1.93 0.03 A 68 GLU HBy H 1 2.02 0.03 A 68 GLU HGx H 1 2.17 0.03 A 68 GLU HGy H 1 2.34 0.03 A 68 GLU C C 13 176.1 0.20 A 68 GLU CA C 13 57.3 0.20 A 68 GLU CB C 13 31.6 0.20 A 68 GLU CG C 13 37.7 0.20 A 68 GLU N N 15 118.5 0.20 A 69 VAL H H 1 8.91 0.03 A 69 VAL HA H 1 4.63 0.03 A 69 VAL HB H 1 2.01 0.03 A 69 VAL HGx% H 1 0.68 0.03 A 69 VAL HGy% H 1 0.94 0.03 A 69 VAL C C 13 171.5 0.20 A 69 VAL CA C 13 59.6 0.20 A 69 VAL CB C 13 35.2 0.20 A 69 VAL CGx C 13 20.4 0.20 A 69 VAL CGy C 13 22.4 0.20 A 69 VAL N N 15 121.2 0.20 A 70 SER H H 1 8.32 0.03 A 70 SER HA H 1 5.74 0.03 A 70 SER HBx H 1 3.74 0.03 A 70 SER HBy H 1 3.80 0.03 A 70 SER C C 13 173.2 0.20 A 70 SER CA C 13 56.2 0.20 A 70 SER CB C 13 67.6 0.20 A 70 SER N N 15 118.1 0.20 A 71 GLY H H 1 8.56 0.03 A 71 GLY HA2 H 1 3.98 0.03 A 71 GLY HAx H 1 3.98 0.03 A 71 GLY HAy H 1 4.36 0.03 A 71 GLY C C 13 172.0 0.20 A 71 GLY CA C 13 45.1 0.20 A 71 GLY N N 15 106.5 0.20 A 72 ASP H H 1 7.94 0.03 A 72 ASP HA H 1 5.86 0.03 A 72 ASP HB2 H 1 2.65 0.03 A 72 ASP HB3 H 1 2.65 0.03 A 72 ASP C C 13 174.1 0.20 A 72 ASP CA C 13 52.6 0.20 A 72 ASP CB C 13 46.1 0.20 A 72 ASP N N 15 118.4 0.20 A 73 SER H H 1 8.52 0.03 A 73 SER HA H 1 4.54 0.03 A 73 SER HBx H 1 3.46 0.03 A 73 SER HBy H 1 3.82 0.03 A 73 SER C C 13 173.1 0.20 A 73 SER CA C 13 57.5 0.20 A 73 SER CB C 13 64.9 0.20 A 73 SER N N 15 111.7 0.20 A 74 CYS HA H 1 4.88 0.03 A 74 CYS HBx H 1 3.17 0.03 A 74 CYS HBy H 1 3.30 0.03 A 74 CYS C C 13 173.7 0.20 A 74 CYS CA C 13 55.3 0.20 A 74 CYS CB C 13 45.1 0.20 A 75 GLN H H 1 8.98 0.03 A 75 GLN HA H 1 4.72 0.03 A 75 GLN HBx H 1 1.61 0.03 A 75 GLN HBy H 1 2.48 0.03 A 75 GLN HGx H 1 2.05 0.03 A 75 GLN HGy H 1 2.22 0.03 A 75 GLN C C 13 175.0 0.20 A 75 GLN CA C 13 54.2 0.20 A 75 GLN CB C 13 28.5 0.20 A 75 GLN CG C 13 34.0 0.20 A 75 GLN N N 15 132.8 0.20 A 76 ALA H H 1 9.56 0.03 A 76 ALA HA H 1 4.50 0.03 A 76 ALA HB% H 1 1.56 0.03 A 76 ALA C C 13 177.2 0.20 A 76 ALA CA C 13 56.7 0.20 A 76 ALA CB C 13 18.6 0.20 A 76 ALA N N 15 132.8 0.20 A 77 SER H H 1 8.36 0.03 A 77 SER HA H 1 4.85 0.03 A 77 SER HBx H 1 3.76 0.03 A 77 SER HBy H 1 3.97 0.03 A 77 SER C C 13 174.6 0.20 A 77 SER CA C 13 55.8 0.20 A 77 SER CB C 13 66.9 0.20 A 77 SER N N 15 111.3 0.20 A 78 ASN H H 1 6.82 0.03 A 78 ASN HA H 1 3.67 0.03 A 78 ASN HBx H 1 1.51 0.03 A 78 ASN HBy H 1 2.41 0.03 A 78 ASN HD2y H 1 6.82 0.03 A 78 ASN HD2x H 1 6.68 0.03 A 78 ASN C C 13 175.1 0.20 A 78 ASN CA C 13 55.2 0.20 A 78 ASN CB C 13 36.3 0.20 A 78 ASN ND2 N 15 109.5 0.20 A 79 GLN H H 1 7.74 0.03 A 79 GLN HA H 1 4.28 0.03 A 79 GLN HBx H 1 1.77 0.03 A 79 GLN HBy H 1 2.18 0.03 A 79 GLN HE2x H 1 6.70 0.03 A 79 GLN HE2y H 1 6.81 0.03 A 79 GLN HG2 H 1 2.28 0.03 A 79 GLN HG3 H 1 2.28 0.03 A 79 GLN C C 13 176.3 0.20 A 79 GLN CA C 13 55.8 0.20 A 79 GLN CB C 13 29.5 0.20 A 79 GLN CG C 13 34.0 0.20 A 79 GLN N N 15 116.4 0.20 A 80 ASP H H 1 7.42 0.03 A 80 ASP HA H 1 4.83 0.03 A 80 ASP HBx H 1 2.91 0.03 A 80 ASP HBy H 1 3.14 0.03 A 80 ASP C C 13 175.7 0.20 A 80 ASP CA C 13 54.1 0.20 A 80 ASP CB C 13 43.6 0.20 A 80 ASP N N 15 120.1 0.20 A 81 SER H H 1 8.63 0.03 A 81 SER HA H 1 4.56 0.03 A 81 SER HBx H 1 3.82 0.03 A 81 SER HBy H 1 3.97 0.03 A 81 SER C C 13 171.7 0.20 A 81 SER CA C 13 58.2 0.20 A 81 SER CB C 13 62.5 0.20 A 81 SER N N 15 117.3 0.20 A 82 PRO HA H 1 4.21 0.03 A 82 PRO HDy H 1 3.80 0.03 A 82 PRO HDx H 1 3.65 0.03 A 82 PRO CA C 13 64.6 0.20 A 82 PRO CD C 13 50.6 0.20 A 83 PRO HA H 1 4.22 0.03 A 83 PRO HBx H 1 1.70 0.03 A 83 PRO HBy H 1 2.18 0.03 A 83 PRO HDx H 1 3.44 0.03 A 83 PRO HDy H 1 4.06 0.03 A 83 PRO HGx H 1 1.73 0.03 A 83 PRO HGy H 1 1.84 0.03 A 83 PRO C C 13 175.7 0.20 A 83 PRO CA C 13 62.6 0.20 A 83 PRO CB C 13 32.8 0.20 A 83 PRO CD C 13 49.2 0.20 A 83 PRO CG C 13 27.4 0.20 A 84 SER H H 1 8.47 0.03 A 84 SER HA H 1 4.78 0.03 A 84 SER HBx H 1 3.71 0.03 A 84 SER HBy H 1 3.85 0.03 A 84 SER C C 13 176.0 0.20 A 84 SER CA C 13 55.1 0.20 A 84 SER CB C 13 63.4 0.20 A 84 SER N N 15 114.6 0.20 A 85 ILE H H 1 9.32 0.03 A 85 ILE HA H 1 3.75 0.03 A 85 ILE HB H 1 2.07 0.03 A 85 ILE HD1% H 1 0.77 0.03 A 85 ILE HG1x H 1 0.84 0.03 A 85 ILE HG1y H 1 1.59 0.03 A 85 ILE HG2% H 1 0.84 0.03 A 85 ILE C C 13 175.3 0.20 A 85 ILE CA C 13 66.7 0.20 A 85 ILE CB C 13 34.9 0.20 A 85 ILE CD1 C 13 12.5 0.20 A 85 ILE CG1 C 13 30.7 0.20 A 85 ILE CG2 C 13 17.7 0.20 A 85 ILE N N 15 130.5 0.20 A 86 PRO HA H 1 4.08 0.03 A 86 PRO HBx H 1 1.70 0.03 A 86 PRO HBy H 1 2.31 0.03 A 86 PRO HDx H 1 3.65 0.03 A 86 PRO HDy H 1 3.99 0.03 A 86 PRO HGx H 1 1.89 0.03 A 86 PRO HGy H 1 2.13 0.03 A 86 PRO C C 13 179.6 0.20 A 86 PRO CA C 13 66.8 0.20 A 86 PRO CB C 13 31.2 0.20 A 86 PRO CD C 13 49.6 0.20 A 86 PRO CG C 13 28.3 0.20 A 87 THR H H 1 7.96 0.03 A 87 THR HA H 1 3.92 0.03 A 87 THR HB H 1 4.22 0.03 A 87 THR HG2% H 1 1.29 0.03 A 87 THR C C 13 175.3 0.20 A 87 THR CA C 13 66.9 0.20 A 87 THR CB C 13 68.4 0.20 A 87 THR CG2 C 13 21.5 0.20 A 87 THR N N 15 116.3 0.20 A 88 ALA H H 1 8.01 0.03 A 88 ALA HA H 1 3.74 0.03 A 88 ALA HB% H 1 1.31 0.03 A 88 ALA C C 13 179.1 0.20 A 88 ALA CA C 13 56.0 0.20 A 88 ALA CB C 13 17.9 0.20 A 88 ALA N N 15 126.2 0.20 A 89 ARG H H 1 8.83 0.03 A 89 ARG HA H 1 3.60 0.03 A 89 ARG HBx H 1 1.82 0.03 A 89 ARG HBy H 1 1.91 0.03 A 89 ARG HDx H 1 3.06 0.03 A 89 ARG HDy H 1 3.14 0.03 A 89 ARG HGx H 1 1.37 0.03 A 89 ARG HGy H 1 1.59 0.03 A 89 ARG C C 13 177.9 0.20 A 89 ARG CA C 13 60.5 0.20 A 89 ARG CB C 13 31.1 0.20 A 89 ARG CD C 13 44.1 0.20 A 89 ARG CG C 13 29.2 0.20 A 89 ARG N N 15 119.0 0.20 A 90 LYS H H 1 7.96 0.03 A 90 LYS HA H 1 4.46 0.03 A 90 LYS HBx H 1 1.95 0.03 A 90 LYS HBy H 1 2.02 0.03 A 90 LYS HE2 H 1 2.94 0.03 A 90 LYS HE3 H 1 2.94 0.03 A 90 LYS HGx H 1 1.48 0.03 A 90 LYS HGy H 1 1.56 0.03 A 90 LYS C C 13 179.7 0.20 A 90 LYS CA C 13 58.8 0.20 A 90 LYS CB C 13 32.1 0.20 A 90 LYS CD C 13 29.2 0.20 A 90 LYS CE C 13 42.0 0.20 A 90 LYS CG C 13 25.0 0.20 A 90 LYS N N 15 120.5 0.20 A 91 ARG H H 1 8.60 0.03 A 91 ARG HA H 1 3.99 0.03 A 91 ARG HBx H 1 1.90 0.03 A 91 ARG HBy H 1 2.07 0.03 A 91 ARG HD2 H 1 3.34 0.03 A 91 ARG HD3 H 1 3.34 0.03 A 91 ARG HGx H 1 1.81 0.03 A 91 ARG HGy H 1 1.97 0.03 A 91 ARG C C 13 178.3 0.20 A 91 ARG CA C 13 59.8 0.20 A 91 ARG CB C 13 29.3 0.20 A 91 ARG CD C 13 43.6 0.20 A 91 ARG CG C 13 28.5 0.20 A 91 ARG N N 15 119.4 0.20 A 92 MET H H 1 8.14 0.03 A 92 MET HA H 1 3.86 0.03 A 92 MET HBx H 1 1.82 0.03 A 92 MET HBy H 1 2.56 0.03 A 92 MET HE% H 1 1.75 0.03 A 92 MET HGy H 1 2.00 0.03 A 92 MET HGx H 1 1.84 0.03 A 92 MET C C 13 177.7 0.20 A 92 MET CA C 13 59.4 0.20 A 92 MET CB C 13 32.3 0.20 A 92 MET CE C 13 17.5 0.20 A 92 MET CG C 13 31.9 0.20 A 92 MET N N 15 121.3 0.20 A 93 GLN H H 1 8.10 0.03 A 93 GLN HA H 1 3.60 0.03 A 93 GLN HBx H 1 2.23 0.03 A 93 GLN HBy H 1 2.54 0.03 A 93 GLN HE2x H 1 7.12 0.03 A 93 GLN HGx H 1 1.98 0.03 A 93 GLN HGy H 1 2.40 0.03 A 93 GLN C C 13 178.3 0.20 A 93 GLN CA C 13 60.6 0.20 A 93 GLN CB C 13 30.1 0.20 A 93 GLN CG C 13 35.7 0.20 A 93 GLN N N 15 119.0 0.20 A 94 ILE H H 1 8.45 0.03 A 94 ILE HA H 1 3.69 0.03 A 94 ILE HB H 1 1.95 0.03 A 94 ILE HD1% H 1 0.84 0.03 A 94 ILE HG1x H 1 1.16 0.03 A 94 ILE HG1y H 1 1.74 0.03 A 94 ILE HG2% H 1 0.92 0.03 A 94 ILE C C 13 179.5 0.20 A 94 ILE CA C 13 64.9 0.20 A 94 ILE CB C 13 38.0 0.20 A 94 ILE CD1 C 13 13.1 0.20 A 94 ILE CG1 C 13 29.1 0.20 A 94 ILE CG2 C 13 17.2 0.20 A 94 ILE N N 15 121.5 0.20 A 95 ASN H H 1 8.62 0.03 A 95 ASN HA H 1 4.53 0.03 A 95 ASN HBx H 1 2.80 0.03 A 95 ASN HBy H 1 2.88 0.03 A 95 ASN HD2x H 1 6.90 0.03 A 95 ASN HD2y H 1 8.05 0.03 A 95 ASN C C 13 174.1 0.20 A 95 ASN CA C 13 55.9 0.20 A 95 ASN CB C 13 37.0 0.20 A 95 ASN N N 15 121.4 0.20 A 95 ASN ND2 N 15 111.5 0.20 A 96 ALA H H 1 8.52 0.03 A 96 ALA HA H 1 4.09 0.03 A 96 ALA HB% H 1 1.37 0.03 A 96 ALA C C 13 179.7 0.20 A 96 ALA CA C 13 54.9 0.20 A 96 ALA CB C 13 17.6 0.20 A 96 ALA N N 15 123.9 0.20 A 97 SER H H 1 8.30 0.03 A 97 SER HA H 1 4.30 0.03 A 97 SER HBx H 1 4.09 0.03 A 97 SER HBy H 1 4.13 0.03 A 97 SER C C 13 178.9 0.20 A 97 SER CA C 13 61.8 0.20 A 97 SER CB C 13 62.7 0.20 A 97 SER N N 15 116.6 0.20 A 98 LYS H H 1 7.76 0.03 A 98 LYS HA H 1 4.21 0.03 A 98 LYS HBx H 1 2.04 0.03 A 98 LYS HBy H 1 2.05 0.03 A 98 LYS HE2 H 1 2.98 0.03 A 98 LYS HE3 H 1 2.98 0.03 A 98 LYS HGy H 1 1.75 0.03 A 98 LYS HGx H 1 1.54 0.03 A 98 LYS C C 13 177.8 0.20 A 98 LYS CA C 13 59.1 0.20 A 98 LYS CB C 13 32.3 0.20 A 98 LYS CD C 13 29.5 0.20 A 98 LYS CE C 13 42.3 0.20 A 98 LYS CG C 13 25.7 0.20 A 98 LYS N N 15 122.7 0.20 A 99 MET H H 1 7.37 0.03 A 99 MET HA H 1 4.39 0.03 A 99 MET HBx H 1 2.14 0.03 A 99 MET HBy H 1 2.35 0.03 A 99 MET HE% H 1 1.95 0.03 A 99 MET HG2 H 1 2.62 0.03 A 99 MET HG3 H 1 2.62 0.03 A 99 MET C C 13 174.2 0.20 A 99 MET CA C 13 55.8 0.20 A 99 MET CB C 13 33.8 0.20 A 99 MET CE C 13 16.7 0.20 A 99 MET CG C 13 31.3 0.20 A 99 MET N N 15 117.3 0.20 A 100 LYS H H 1 7.86 0.03 A 100 LYS HA H 1 3.89 0.03 A 100 LYS HBx H 1 2.00 0.03 A 100 LYS HBy H 1 2.24 0.03 A 100 LYS HD2 H 1 1.51 0.03 A 100 LYS HD3 H 1 1.51 0.03 A 100 LYS HEx H 1 3.06 0.03 A 100 LYS HEy H 1 3.07 0.03 A 100 LYS HG2 H 1 1.37 0.03 A 100 LYS HG3 H 1 1.37 0.03 A 100 LYS C C 13 175.6 0.20 A 100 LYS CA C 13 57.5 0.20 A 100 LYS CB C 13 28.1 0.20 A 100 LYS CD C 13 29.0 0.20 A 100 LYS CE C 13 42.4 0.20 A 100 LYS CG C 13 25.2 0.20 A 100 LYS N N 15 110.5 0.20 A 101 ALA H H 1 7.49 0.03 A 101 ALA HA H 1 4.24 0.03 A 101 ALA HB% H 1 1.53 0.03 A 101 ALA C C 13 176.8 0.20 A 101 ALA CA C 13 51.7 0.20 A 101 ALA CB C 13 22.4 0.20 A 101 ALA N N 15 120.4 0.20 A 102 ASN H H 1 8.69 0.03 A 102 ASN HA H 1 4.89 0.03 A 102 ASN HBx H 1 2.86 0.03 A 102 ASN HBy H 1 3.35 0.03 A 102 ASN HD2x H 1 7.51 0.03 A 102 ASN HD2y H 1 7.52 0.03 A 102 ASN C C 13 175.6 0.20 A 102 ASN CA C 13 52.0 0.20 A 102 ASN CB C 13 38.5 0.20 A 102 ASN N N 15 114.8 0.20 A 102 ASN ND2 N 15 109.0 0.20 A 103 ALA H H 1 8.40 0.03 A 103 ALA HA H 1 5.31 0.03 A 103 ALA HB% H 1 1.50 0.03 A 103 ALA C C 13 175.2 0.20 A 103 ALA CA C 13 51.6 0.20 A 103 ALA CB C 13 23.1 0.20 A 103 ALA N N 15 121.8 0.20 A 104 VAL H H 1 8.88 0.03 A 104 VAL HA H 1 4.88 0.03 A 104 VAL HB H 1 1.60 0.03 A 104 VAL HGx% H 1 0.61 0.03 A 104 VAL HGy% H 1 0.59 0.03 A 104 VAL C C 13 173.7 0.20 A 104 VAL CA C 13 59.8 0.20 A 104 VAL CB C 13 36.9 0.20 A 104 VAL CGx C 13 21.5 0.20 A 104 VAL CGy C 13 23.0 0.20 A 104 VAL N N 15 117.8 0.20 A 105 LEU H H 1 8.83 0.03 A 105 LEU HA H 1 4.83 0.03 A 105 LEU HBx H 1 1.00 0.03 A 105 LEU HBy H 1 1.69 0.03 A 105 LEU HDx% H 1 0.51 0.03 A 105 LEU HDy% H 1 0.78 0.03 A 105 LEU HG H 1 1.22 0.03 A 105 LEU C C 13 174.5 0.20 A 105 LEU CA C 13 53.1 0.20 A 105 LEU CB C 13 43.1 0.20 A 105 LEU CDx C 13 22.2 0.20 A 105 LEU CDy C 13 25.8 0.20 A 105 LEU CG C 13 27.1 0.20 A 105 LEU N N 15 128.4 0.20 A 106 LEU H H 1 8.84 0.03 A 106 LEU HA H 1 3.85 0.03 A 106 LEU HBx H 1 1.06 0.03 A 106 LEU HBy H 1 1.83 0.03 A 106 LEU HDx% H 1 0.86 0.03 A 106 LEU HDy% H 1 0.81 0.03 A 106 LEU HG H 1 1.34 0.03 A 106 LEU C C 13 175.4 0.20 A 106 LEU CA C 13 56.0 0.20 A 106 LEU CB C 13 44.0 0.20 A 106 LEU CDx C 13 24.8 0.20 A 106 LEU CDy C 13 26.4 0.20 A 106 LEU CG C 13 27.2 0.20 A 106 LEU N N 15 129.9 0.20 A 107 HIS H H 1 9.56 0.03 A 107 HIS HA H 1 4.97 0.03 A 107 HIS HBx H 1 3.07 0.03 A 107 HIS HBy H 1 3.16 0.03 A 107 HIS HD2 H 1 6.76 0.03 A 107 HIS HE1 H 1 7.69 0.03 A 107 HIS C C 13 176.0 0.20 A 107 HIS CA C 13 57.1 0.20 A 107 HIS CB C 13 31.0 0.20 A 107 HIS CD2 C 13 119.0 0.20 A 107 HIS CE1 C 13 139.1 0.20 A 107 HIS N N 15 126.4 0.20 A 108 SER H H 1 7.80 0.03 A 108 SER HA H 1 4.60 0.03 A 108 SER HBx H 1 3.84 0.03 A 108 SER HBy H 1 3.98 0.03 A 108 SER C C 13 173.5 0.20 A 108 SER CA C 13 58.1 0.20 A 108 SER CB C 13 64.6 0.20 A 108 SER N N 15 108.6 0.20 A 109 CYS H H 1 8.54 0.03 A 109 CYS HA H 1 5.90 0.03 A 109 CYS HBx H 1 2.58 0.03 A 109 CYS HBy H 1 3.24 0.03 A 109 CYS C C 13 173.3 0.20 A 109 CYS CA C 13 56.5 0.20 A 109 CYS CB C 13 48.8 0.20 A 109 CYS N N 15 118.3 0.20 A 110 GLU H H 1 8.68 0.03 A 110 GLU HA H 1 4.74 0.03 A 110 GLU HBx H 1 1.91 0.03 A 110 GLU HBy H 1 2.06 0.03 A 110 GLU HGx H 1 2.14 0.03 A 110 GLU HGy H 1 2.23 0.03 A 110 GLU C C 13 174.4 0.20 A 110 GLU CA C 13 54.8 0.20 A 110 GLU CB C 13 34.0 0.20 A 110 GLU CG C 13 35.4 0.20 A 110 GLU N N 15 120.3 0.20 A 111 VAL H H 1 8.84 0.03 A 111 VAL HA H 1 4.95 0.03 A 111 VAL HB H 1 1.97 0.03 A 111 VAL HGx% H 1 0.90 0.03 A 111 VAL HGy% H 1 0.85 0.03 A 111 VAL C C 13 175.8 0.20 A 111 VAL CA C 13 61.8 0.20 A 111 VAL CB C 13 32.3 0.20 A 111 VAL CGx C 13 21.5 0.20 A 111 VAL CGy C 13 22.1 0.20 A 111 VAL N N 15 122.3 0.20 A 112 THR H H 1 9.21 0.03 A 112 THR HA H 1 4.90 0.03 A 112 THR HB H 1 4.13 0.03 A 112 THR HG2% H 1 1.20 0.03 A 112 THR C C 13 173.4 0.20 A 112 THR CA C 13 59.6 0.20 A 112 THR CB C 13 71.5 0.20 A 112 THR CG2 C 13 20.5 0.20 A 112 THR N N 15 121.6 0.20 A 113 SER HA H 1 4.91 0.03 A 113 SER HBx H 1 3.74 0.03 A 113 SER HBy H 1 3.89 0.03 A 113 SER C C 13 175.0 0.20 A 113 SER CA C 13 57.9 0.20 A 113 SER CB C 13 65.0 0.20 A 114 GLY H H 1 8.55 0.03 A 114 GLY HA2 H 1 3.92 0.03 A 114 GLY HAx H 1 3.92 0.03 A 114 GLY HAy H 1 3.94 0.03 A 114 GLY C C 13 175.0 0.20 A 114 GLY CA C 13 46.2 0.20 A 114 GLY N N 15 109.6 0.20 A 115 THR H H 1 8.46 0.03 A 115 THR HA H 1 4.55 0.03 A 115 THR HB H 1 4.15 0.03 A 115 THR HG2% H 1 1.04 0.03 A 115 THR C C 13 172.8 0.20 A 115 THR CA C 13 59.9 0.20 A 115 THR CB C 13 68.5 0.20 A 115 THR CG2 C 13 22.0 0.20 A 115 THR N N 15 118.1 0.20 A 116 PRO HA H 1 4.21 0.03 A 116 PRO HBx H 1 1.90 0.03 A 116 PRO HBy H 1 2.27 0.03 A 116 PRO HDx H 1 3.65 0.03 A 116 PRO HDy H 1 4.01 0.03 A 116 PRO HG2 H 1 2.27 0.03 A 116 PRO HG3 H 1 2.27 0.03 A 116 PRO C C 13 177.6 0.20 A 116 PRO CA C 13 60.1 0.20 A 116 PRO CB C 13 31.5 0.20 A 116 PRO CD C 13 51.0 0.20 A 116 PRO CG C 13 27.9 0.20 A 117 GLY H H 1 8.65 0.03 A 117 GLY HA2 H 1 3.74 0.03 A 117 GLY HAx H 1 3.74 0.03 A 117 GLY HAy H 1 4.20 0.03 A 117 GLY C C 13 174.6 0.20 A 117 GLY CA C 13 45.2 0.20 A 117 GLY N N 15 111.3 0.20 A 118 CYS H H 1 7.73 0.03 A 118 CYS HA H 1 4.90 0.03 A 118 CYS HBx H 1 2.54 0.03 A 118 CYS HBy H 1 3.02 0.03 A 118 CYS C C 13 173.0 0.20 A 118 CYS CA C 13 54.8 0.20 A 118 CYS CB C 13 44.3 0.20 A 118 CYS N N 15 115.5 0.20 A 119 TYR H H 1 8.74 0.03 A 119 TYR HA H 1 4.30 0.03 A 119 TYR HBx H 1 2.46 0.03 A 119 TYR HBy H 1 3.17 0.03 A 119 TYR HD1 H 1 7.03 0.03 A 119 TYR HD2 H 1 7.03 0.03 A 119 TYR HE1 H 1 6.83 0.03 A 119 TYR HE2 H 1 6.83 0.03 A 119 TYR C C 13 178.1 0.20 A 119 TYR CA C 13 61.8 0.20 A 119 TYR CB C 13 38.8 0.20 A 119 TYR CD1 C 13 133.7 0.20 A 119 TYR CD2 C 13 133.7 0.20 A 119 TYR CE1 C 13 118.4 0.20 A 119 TYR CE2 C 13 118.4 0.20 A 119 TYR N N 15 130.7 0.20 A 120 ARG H H 1 7.96 0.03 A 120 ARG HA H 1 4.68 0.03 A 120 ARG HB2 H 1 2.08 0.03 A 120 ARG HB3 H 1 2.08 0.03 A 120 ARG HDx H 1 2.81 0.03 A 120 ARG HDy H 1 3.11 0.03 A 120 ARG HGx H 1 1.29 0.03 A 120 ARG HGy H 1 1.42 0.03 A 120 ARG C C 13 174.4 0.20 A 120 ARG CA C 13 55.0 0.20 A 120 ARG CB C 13 35.7 0.20 A 120 ARG CD C 13 43.3 0.20 A 120 ARG CG C 13 27.8 0.20 A 120 ARG N N 15 114.3 0.20 A 121 GLN H H 1 8.85 0.03 A 121 GLN HA H 1 5.32 0.03 A 121 GLN HBx H 1 1.59 0.03 A 121 GLN HBy H 1 2.15 0.03 A 121 GLN HE2x H 1 6.79 0.03 A 121 GLN HG2 H 1 2.21 0.03 A 121 GLN HG3 H 1 2.21 0.03 A 121 GLN C C 13 174.3 0.20 A 121 GLN CA C 13 54.3 0.20 A 121 GLN CB C 13 33.3 0.20 A 121 GLN CG C 13 34.0 0.20 A 121 GLN N N 15 122.7 0.20 A 122 ALA H H 1 9.31 0.03 A 122 ALA HA H 1 5.41 0.03 A 122 ALA HB% H 1 1.15 0.03 A 122 ALA C C 13 176.1 0.20 A 122 ALA CA C 13 50.3 0.20 A 122 ALA CB C 13 20.6 0.20 A 122 ALA N N 15 129.0 0.20 A 123 VAL H H 1 9.06 0.03 A 123 VAL HA H 1 4.88 0.03 A 123 VAL HB H 1 1.91 0.03 A 123 VAL HGx% H 1 0.90 0.03 A 123 VAL HGy% H 1 0.83 0.03 A 123 VAL C C 13 176.3 0.20 A 123 VAL CA C 13 61.2 0.20 A 123 VAL CB C 13 35.6 0.20 A 123 VAL CGx C 13 20.5 0.20 A 123 VAL CGy C 13 21.2 0.20 A 123 VAL N N 15 121.6 0.20 A 124 CYS H H 1 9.13 0.03 A 124 CYS HA H 1 5.85 0.03 A 124 CYS HBx H 1 2.47 0.03 A 124 CYS HBy H 1 3.00 0.03 A 124 CYS C C 13 172.2 0.20 A 124 CYS CA C 13 55.3 0.20 A 124 CYS CB C 13 46.2 0.20 A 124 CYS N N 15 126.7 0.20 A 125 ILE H H 1 8.92 0.03 A 125 ILE HA H 1 4.90 0.03 A 125 ILE HB H 1 1.76 0.03 A 125 ILE HD1% H 1 0.83 0.03 A 125 ILE HG1x H 1 1.11 0.03 A 125 ILE HG1y H 1 1.59 0.03 A 125 ILE HG2% H 1 0.97 0.03 A 125 ILE C C 13 174.8 0.20 A 125 ILE CA C 13 59.6 0.20 A 125 ILE CB C 13 41.7 0.20 A 125 ILE CD1 C 13 13.4 0.20 A 125 ILE CG1 C 13 28.0 0.20 A 125 ILE CG2 C 13 17.6 0.20 A 125 ILE N N 15 121.7 0.20 A 126 GLY H H 1 8.96 0.03 A 126 GLY HA2 H 1 3.52 0.03 A 126 GLY HAx H 1 3.52 0.03 A 126 GLY HAy H 1 4.49 0.03 A 126 GLY C C 13 172.0 0.20 A 126 GLY CA C 13 45.6 0.20 A 126 GLY N N 15 114.4 0.20 A 127 SER H H 1 8.69 0.03 A 127 SER HA H 1 4.93 0.03 A 127 SER HBx H 1 3.56 0.03 A 127 SER HBy H 1 3.91 0.03 A 127 SER C C 13 173.1 0.20 A 127 SER CA C 13 58.2 0.20 A 127 SER CB C 13 64.4 0.20 A 127 SER N N 15 116.7 0.20 A 128 ALA H H 1 9.39 0.03 A 128 ALA HA H 1 4.39 0.03 A 128 ALA HB% H 1 1.36 0.03 A 128 ALA C C 13 174.6 0.20 A 128 ALA CA C 13 51.9 0.20 A 128 ALA CB C 13 19.3 0.20 A 128 ALA N N 15 130.0 0.20 A 129 LEU H H 1 8.85 0.03 A 129 LEU HA H 1 5.48 0.03 A 129 LEU HBy H 1 1.49 0.03 A 129 LEU HBx H 1 1.15 0.03 A 129 LEU HDx% H 1 0.57 0.03 A 129 LEU HDy% H 1 0.17 0.03 A 129 LEU HG H 1 1.56 0.03 A 129 LEU C C 13 176.0 0.20 A 129 LEU CA C 13 52.9 0.20 A 129 LEU CB C 13 46.2 0.20 A 129 LEU CDx C 13 22.6 0.20 A 129 LEU CDy C 13 26.4 0.20 A 129 LEU CG C 13 26.4 0.20 A 129 LEU N N 15 121.0 0.20 A 130 ASN H H 1 8.86 0.03 A 130 ASN HA H 1 5.25 0.03 A 130 ASN HBx H 1 2.60 0.03 A 130 ASN HBy H 1 2.88 0.03 A 130 ASN HD2x H 1 7.06 0.03 A 130 ASN C C 13 175.4 0.20 A 130 ASN CA C 13 52.2 0.20 A 130 ASN CB C 13 40.6 0.20 A 130 ASN N N 15 118.3 0.20 A 131 ILE H H 1 10.21 0.03 A 131 ILE HA H 1 4.56 0.03 A 131 ILE HB H 1 1.83 0.03 A 131 ILE HD1% H 1 0.63 0.03 A 131 ILE HG12 H 1 0.94 0.03 A 131 ILE HG13 H 1 0.94 0.03 A 131 ILE HG2% H 1 0.95 0.03 A 131 ILE C C 13 176.9 0.20 A 131 ILE CA C 13 61.5 0.20 A 131 ILE CB C 13 38.6 0.20 A 131 ILE CD1 C 13 14.5 0.20 A 131 ILE CG1 C 13 27.9 0.20 A 131 ILE CG2 C 13 17.6 0.20 A 131 ILE N N 15 129.1 0.20 A 132 THR H H 1 8.40 0.03 A 132 THR HA H 1 4.36 0.03 A 132 THR HB H 1 4.24 0.03 A 132 THR HG2% H 1 1.20 0.03 A 132 THR C C 13 173.7 0.20 A 132 THR CA C 13 62.2 0.20 A 132 THR CB C 13 69.5 0.20 A 132 THR CG2 C 13 21.7 0.20 A 132 THR N N 15 122.5 0.20 A 133 ALA H H 1 8.17 0.03 A 133 ALA HA H 1 4.39 0.03 A 133 ALA HB% H 1 1.42 0.03 A 133 ALA C C 13 176.5 0.20 A 133 ALA CA C 13 52.4 0.20 A 133 ALA CB C 13 19.8 0.20 A 133 ALA N N 15 126.7 0.20 A 134 LYS H H 1 7.94 0.03 A 134 LYS HA H 1 4.15 0.03 A 134 LYS HBx H 1 1.73 0.03 A 134 LYS HBy H 1 1.82 0.03 A 134 LYS HGx H 1 1.41 0.03 A 134 LYS HGy H 1 1.77 0.03 A 134 LYS C C 13 181.2 0.20 A 134 LYS CA C 13 57.7 0.20 A 134 LYS CB C 13 33.8 0.20 A 134 LYS N N 15 125.8 0.20 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 47 THR HA A 48 PRO HDx 1.0 . 3.25 2 2 A 47 THR HA A 48 PRO HDy 1.0 . 3.13 3 3 A 48 PRO HDx A 47 THR HB 1.0 . 4.70 4 4 A 48 PRO HDy A 47 THR HB 1.0 . 5.00 5 5 A 47 THR HG2% A 48 PRO HA 1.0 . 5.60 6 6 A 48 PRO HDx A 47 THR HG2% 1.0 . 4.78 7 7 A 48 PRO HDy A 47 THR HG2% 1.0 . 5.08 8 8 A 48 PRO HA A 49 VAL H 1.0 . 3.54 9 9 A 48 PRO HA A 49 VAL HGx% 1.0 . 6.10 10 10 A 49 VAL H A 48 PRO HBy 1.0 . 4.52 11 11 A 49 VAL HGx% A 48 PRO HBy 1.0 . 5.19 12 12 A 49 VAL H A 48 PRO HG2 1.0 . 4.83 13 13 A 48 PRO HG2 A 97 SER HBx 1.0 . 4.86 14 14 A 48 PRO HG2 A 97 SER HBy 1.0 . 5.04 15 15 A 49 VAL H A 49 VAL HB 1.0 . 3.74 16 16 A 49 VAL H A 50 ARG H 1.0 . 5.08 17 17 A 50 ARG H A 49 VAL HA 1.0 . 3.07 18 18 A 49 VAL HA A 50 ARG HA 1.0 . 4.52 19 19 A 49 VAL HA A 103 ALA H 1.0 . 5.50 20 20 A 49 VAL HA A 103 ALA HA 1.0 . 4.35 21 21 A 49 VAL HB A 50 ARG H 1.0 . 4.58 22 22 A 49 VAL HB A 93 GLN HGx 1.0 . 4.07 23 23 A 49 VAL HB A 93 GLN HGy 1.0 . 5.05 24 24 A 49 VAL HB A 96 ALA HB% 1.0 . 5.64 25 25 A 49 VAL HB A 97 SER H 1.0 . 5.36 26 26 A 97 SER HBy A 49 VAL HB 1.0 . 5.54 27 27 A 49 VAL HB A 103 ALA H 1.0 . 4.48 28 28 A 49 VAL HGx% A 50 ARG H 1.0 . 5.32 29 29 A 49 VAL HGx% A 93 GLN HA 1.0 . 4.91 30 30 A 49 VAL HGx% A 93 GLN HGx 1.0 . 5.05 31 31 A 49 VAL HGx% A 96 ALA HB% 1.0 . 5.66 32 32 A 49 VAL HGx% A 97 SER H 1.0 . 5.24 33 33 A 49 VAL HGx% A 97 SER HA 1.0 . 4.97 34 34 A 49 VAL HGx% A 97 SER HBx 1.0 . 4.68 35 35 A 49 VAL HGx% A 97 SER HBy 1.0 . 5.00 36 36 A 49 VAL HGx% A 104 VAL HGy% 1.0 . 5.80 37 37 A 50 ARG H A 49 VAL HGy% 1.0 . 5.08 38 38 A 50 ARG HA A 49 VAL HGy% 1.0 . 5.20 39 39 A 93 GLN HA A 49 VAL HGy% 1.0 . 4.45 40 40 A 49 VAL HGy% A 93 GLN HBx 1.0 . 5.33 41 41 A 49 VAL HGy% A 93 GLN HBy 1.0 . 5.61 42 42 A 93 GLN HGx A 49 VAL HGy% 1.0 . 4.68 43 43 A 93 GLN HGy A 49 VAL HGy% 1.0 . 5.35 44 44 A 96 ALA HB% A 49 VAL HGy% 1.0 . 5.06 45 45 A 97 SER H A 49 VAL HGy% 1.0 . 6.19 46 46 A 97 SER HBx A 49 VAL HGy% 1.0 . 5.65 47 47 A 97 SER HBy A 49 VAL HGy% 1.0 . 5.90 48 48 A 103 ALA H A 49 VAL HGy% 1.0 . 5.34 49 49 A 103 ALA HA A 49 VAL HGy% 1.0 . 5.10 50 50 A 49 VAL HGy% A 104 VAL H 1.0 . 4.89 51 51 A 50 ARG H A 50 ARG HBx 1.0 . 3.75 52 52 A 50 ARG H A 50 ARG HBy 1.0 . 3.68 53 53 A 50 ARG H A 50 ARG HGx 1.0 . 5.32 54 54 A 50 ARG H A 50 ARG HGy 1.0 . 5.41 55 55 A 50 ARG H A 50 ARG HD2 1.0 . 5.50 56 56 A 50 ARG H A 103 ALA H 1.0 . 5.08 57 57 A 50 ARG H A 103 ALA HA 1.0 . 3.62 58 58 A 50 ARG H A 103 ALA HB% 1.0 . 5.30 59 59 A 50 ARG H A 104 VAL H 1.0 . 5.16 60 60 A 50 ARG HA A 50 ARG HGx 1.0 . 4.14 61 61 A 50 ARG HA A 50 ARG HGy 1.0 . 3.85 62 62 A 50 ARG HA A 50 ARG HD3 1.0 . 4.40 63 63 A 50 ARG HA A 51 ILE H 1.0 . 2.99 64 64 A 50 ARG HBx A 50 ARG HD2 1.0 . 3.90 65 65 A 50 ARG HBx A 51 ILE H 1.0 . 4.57 66 66 A 50 ARG HBx A 52 TYR HE% 1.0 . 5.55 67 67 A 103 ALA HA A 50 ARG HBx 1.0 . 4.09 68 68 A 50 ARG HBy A 50 ARG HD2 1.0 . 4.01 69 69 A 50 ARG HBy A 51 ILE H 1.0 . 4.62 70 70 A 103 ALA HA A 50 ARG HBy 1.0 . 4.28 71 71 A 50 ARG HBy A 103 ALA HB% 1.0 . 5.02 72 72 A 50 ARG HGx A 51 ILE H 1.0 . 4.47 73 73 A 50 ARG HGy A 51 ILE H 1.0 . 4.57 74 74 A 50 ARG HD2 A 103 ALA HB% 1.0 . 6.90 75 75 A 51 ILE H A 51 ILE HB 1.0 . 3.51 76 76 A 51 ILE H A 51 ILE HG1x 1.0 . 4.88 77 77 A 51 ILE H A 51 ILE HG1y 1.0 . 4.08 78 78 A 51 ILE H A 51 ILE HD1% 1.0 . 5.17 79 79 A 51 ILE H A 52 TYR H 1.0 . 5.50 80 80 A 51 ILE HG1y A 51 ILE HA 1.0 . 3.56 81 81 A 51 ILE HD1% A 51 ILE HA 1.0 . 4.50 82 82 A 52 TYR H A 51 ILE HA 1.0 . 3.14 83 83 A 104 VAL H A 51 ILE HA 1.0 . 3.83 84 84 A 51 ILE HA A 104 VAL HB 1.0 . 4.28 85 85 A 51 ILE HA A 104 VAL HGx% 1.0 . 5.25 86 86 A 104 VAL HGy% A 51 ILE HA 1.0 . 5.60 87 87 A 52 TYR H A 51 ILE HG2% 1.0 . 4.73 88 88 A 51 ILE HG2% A 52 TYR HA 1.0 . 5.41 89 89 A 51 ILE HG2% A 89 ARG HDx 1.0 . 5.07 90 90 A 51 ILE HG2% A 89 ARG HDy 1.0 . 5.03 91 91 A 51 ILE HG2% A 106 LEU H 1.0 . 5.19 92 92 A 51 ILE HG2% A 106 LEU HA 1.0 . 5.83 93 93 A 51 ILE HG2% A 106 LEU HBx 1.0 . 4.37 94 94 A 51 ILE HG2% A 106 LEU HBy 1.0 . 4.78 95 95 A 51 ILE HG2% A 106 LEU HDx% 1.0 . 5.71 96 96 A 51 ILE HG2% A 106 LEU HDy% 1.0 . 5.32 97 97 A 51 ILE HG1x A 92 MET HE% 1.0 . 4.40 98 98 A 51 ILE HG1y A 92 MET HE% 1.0 . 5.60 99 99 A 51 ILE HD1% A 89 ARG HBx 1.0 . 5.48 100 100 A 51 ILE HD1% A 89 ARG HBy 1.0 . 5.48 101 101 A 51 ILE HD1% A 89 ARG HGx 1.0 . 4.87 102 102 A 51 ILE HD1% A 89 ARG HGy 1.0 . 6.10 103 103 A 51 ILE HD1% A 89 ARG HDx 1.0 . 5.15 104 104 A 51 ILE HD1% A 90 LYS HA 1.0 . 5.73 105 105 A 51 ILE HD1% A 92 MET HE% 1.0 . 5.15 106 106 A 93 GLN HA A 51 ILE HD1% 1.0 . 5.54 107 107 A 93 GLN HBx A 51 ILE HD1% 1.0 . 5.73 108 108 A 93 GLN HBy A 51 ILE HD1% 1.0 . 5.48 109 109 A 93 GLN HGx A 51 ILE HD1% 1.0 . 6.02 110 110 A 93 GLN HGy A 51 ILE HD1% 1.0 . 4.97 111 111 A 52 TYR H A 52 TYR HBx 1.0 . 4.10 112 112 A 52 TYR H A 104 VAL HB 1.0 . 4.85 113 113 A 52 TYR H A 105 LEU HA 1.0 . 4.46 114 114 A 52 TYR H A 106 LEU H 1.0 . 4.95 115 115 A 52 TYR HA A 105 LEU HDx% 1.0 . 6.10 116 116 A 52 TYR HBx A 53 THR H 1.0 . 5.32 117 117 A 52 TYR HBx A 58 LEU HDy% 1.0 . 5.50 118 118 A 52 TYR HBx A 105 LEU HA 1.0 . 4.08 119 119 A 52 TYR HBx A 105 LEU HDx% 1.0 . 4.90 120 120 A 106 LEU H A 52 TYR HBx 1.0 . 4.98 121 121 A 53 THR H A 52 TYR HBy 1.0 . 4.61 122 122 A 58 LEU HDy% A 52 TYR HBy 1.0 . 5.83 123 123 A 105 LEU HA A 52 TYR HBy 1.0 . 4.37 124 124 A 105 LEU HDx% A 52 TYR HBy 1.0 . 4.90 125 125 A 52 TYR HD% A 57 GLU HB3 1.0 . 5.60 126 126 A 52 TYR HD% A 58 LEU HDx% 1.0 . 7.51 127 127 A 58 LEU HDy% A 52 TYR HD% 1.0 . 6.91 128 128 A 103 ALA HB% A 52 TYR HD% 1.0 . 6.45 129 129 A 104 VAL H A 52 TYR HD% 1.0 . 7.33 130 130 A 52 TYR HE% A 57 GLU HB3 1.0 . 6.91 131 131 A 52 TYR HE% A 58 LEU HDx% 1.0 . 6.85 132 132 A 103 ALA HA A 52 TYR HE% 1.0 . 6.14 133 133 A 103 ALA HB% A 52 TYR HE% 1.0 . 6.16 134 134 A 104 VAL H A 52 TYR HE% 1.0 . 7.70 135 135 A 52 TYR HE% A 131 ILE HD1% 1.0 . 6.23 136 136 A 53 THR H A 54 ASN H 1.0 . 3.70 137 137 A 106 LEU H A 53 THR HA 1.0 . 4.07 138 138 A 106 LEU HBx A 53 THR HA 1.0 . 4.48 139 139 A 106 LEU HBy A 53 THR HA 1.0 . 3.67 140 140 A 54 ASN H A 53 THR HB 1.0 . 5.25 141 141 A 106 LEU HBy A 53 THR HB 1.0 . 4.58 142 142 A 54 ASN H A 53 THR HG2% 1.0 . 6.17 143 143 A 106 LEU HBy A 53 THR HG2% 1.0 . 4.89 144 144 A 106 LEU HDy% A 53 THR HG2% 1.0 . 5.38 145 145 A 54 ASN H A 55 ALA H 1.0 . 5.50 146 146 A 54 ASN H A 57 GLU HB2 1.0 . 5.10 147 147 A 105 LEU HDx% A 54 ASN H 1.0 . 6.02 148 148 A 54 ASN HA A 56 GLU H 1.0 . 4.93 149 149 A 105 LEU HDx% A 54 ASN HA 1.0 . 5.04 150 150 A 55 ALA H A 54 ASN HBx 1.0 . 5.26 151 151 A 54 ASN HBx A 57 GLU H 1.0 . 4.69 152 152 A 57 GLU HB2 A 54 ASN HBx 1.0 . 4.77 153 153 A 54 ASN HBx A 57 GLU HGx 1.0 . 4.72 154 154 A 54 ASN HBx A 57 GLU HGy 1.0 . 4.45 155 155 A 55 ALA H A 54 ASN HBy 1.0 . 5.38 156 156 A 56 GLU H A 54 ASN HBy 1.0 . 4.76 157 157 A 57 GLU H A 54 ASN HBy 1.0 . 4.39 158 158 A 57 GLU HGx A 54 ASN HBy 1.0 . 4.39 159 159 A 57 GLU HGy A 54 ASN HBy 1.0 . 4.30 160 160 A 55 ALA H A 56 GLU H 1.0 . 4.21 161 161 A 55 ALA H A 57 GLU H 1.0 . 5.50 162 162 A 105 LEU HDx% A 55 ALA H 1.0 . 6.14 163 163 A 55 ALA H A 105 LEU HDy% 1.0 . 6.56 164 164 A 57 GLU H A 55 ALA HA 1.0 . 4.56 165 165 A 55 ALA HA A 58 LEU H 1.0 . 4.49 166 166 A 55 ALA HA A 58 LEU HG 1.0 . 4.48 167 167 A 58 LEU HDx% A 55 ALA HA 1.0 . 5.86 168 168 A 58 LEU HDy% A 55 ALA HA 1.0 . 4.87 169 169 A 105 LEU HDx% A 55 ALA HA 1.0 . 4.65 170 170 A 105 LEU HDy% A 55 ALA HA 1.0 . 4.88 171 171 A 55 ALA HB% A 56 GLU HA 1.0 . 5.38 172 172 A 55 ALA HB% A 56 GLU HB2 1.0 . 5.61 173 173 A 55 ALA HB% A 59 VAL HGx% 1.0 . 7.00 174 174 A 105 LEU HDx% A 55 ALA HB% 1.0 . 5.93 175 175 A 105 LEU HDy% A 55 ALA HB% 1.0 . 5.61 176 176 A 56 GLU H A 56 GLU HB2 1.0 . 3.44 177 177 A 56 GLU H A 56 GLU HG2 1.0 . 4.90 178 177 A 56 GLU H A 56 GLU HG3 1.0 . 4.90 179 178 A 56 GLU H A 57 GLU H 1.0 . 3.84 180 179 A 56 GLU H A 58 LEU H 1.0 . 5.30 181 180 A 56 GLU H A 59 VAL H 1.0 . 5.50 182 181 A 56 GLU H A 59 VAL HGy% 1.0 . 6.60 183 182 A 58 LEU H A 56 GLU HA 1.0 . 4.57 184 183 A 56 GLU HA A 59 VAL H 1.0 . 4.15 185 184 A 56 GLU HA A 59 VAL HB 1.0 . 4.90 186 185 A 56 GLU HA A 59 VAL HGx% 1.0 . 5.54 187 186 A 56 GLU HA A 59 VAL HGy% 1.0 . 4.18 188 187 A 57 GLU H A 56 GLU HB2 1.0 . 4.18 189 188 A 57 GLU HGx A 56 GLU HB3 1.0 . 4.58 190 189 A 57 GLU HGy A 56 GLU HB3 1.0 . 4.75 191 190 A 59 VAL HGy% A 56 GLU HB3 1.0 . 5.88 192 191 A 59 VAL H A 56 GLU HG2 1.0 . 6.28 193 191 A 56 GLU HG3 A 59 VAL H 1.0 . 6.28 194 192 A 59 VAL HGx% A 56 GLU HG2 1.0 . 6.55 195 192 A 59 VAL HGx% A 56 GLU HG3 1.0 . 6.55 196 193 A 59 VAL HGy% A 56 GLU HG2 1.0 . 6.30 197 193 A 56 GLU HG3 A 59 VAL HGy% 1.0 . 6.30 198 194 A 57 GLU HB2 A 57 GLU H 1.0 . 3.47 199 195 A 57 GLU H A 57 GLU HGx 1.0 . 4.01 200 196 A 57 GLU H A 57 GLU HGy 1.0 . 3.67 201 197 A 57 GLU H A 58 LEU H 1.0 . 3.82 202 198 A 57 GLU H A 59 VAL H 1.0 . 5.02 203 199 A 57 GLU HGx A 57 GLU HA 1.0 . 3.37 204 200 A 57 GLU HGy A 57 GLU HA 1.0 . 3.77 205 201 A 59 VAL H A 57 GLU HA 1.0 . 4.81 206 202 A 57 GLU HB2 A 58 LEU H 1.0 . 4.50 207 203 A 57 GLU HB3 A 57 GLU HGx 1.0 . 2.97 208 204 A 58 LEU H A 58 LEU HB2 1.0 . 3.61 209 205 A 58 LEU H A 58 LEU HG 1.0 . 4.28 210 206 A 58 LEU HDx% A 58 LEU H 1.0 . 5.52 211 207 A 58 LEU HDy% A 58 LEU H 1.0 . 5.52 212 208 A 58 LEU H A 59 VAL H 1.0 . 3.55 213 209 A 58 LEU H A 59 VAL HGy% 1.0 . 5.44 214 210 A 58 LEU H A 60 GLY H 1.0 . 5.18 215 211 A 58 LEU HG A 58 LEU HA 1.0 . 3.77 216 212 A 58 LEU HDx% A 58 LEU HA 1.0 . 4.29 217 213 A 58 LEU HDy% A 58 LEU HA 1.0 . 5.29 218 214 A 58 LEU HA A 61 LYS H 1.0 . 5.19 219 215 A 58 LEU HA A 61 LYS HBx 1.0 . 4.97 220 216 A 58 LEU HA A 61 LYS HBy 1.0 . 4.07 221 217 A 58 LEU HA A 61 LYS HGy 1.0 . 4.01 222 218 A 58 LEU HA A 61 LYS HDx 1.0 . 3.92 223 219 A 59 VAL H A 58 LEU HB2 1.0 . 4.41 224 220 A 58 LEU HB3 A 63 PHE HE% 1.0 . 6.53 225 221 A 58 LEU HDx% A 59 VAL H 1.0 . 5.71 226 222 A 58 LEU HDx% A 61 LYS HBx 1.0 . 6.13 227 223 A 58 LEU HDx% A 61 LYS HBy 1.0 . 5.90 228 224 A 58 LEU HDx% A 61 LYS HGx 1.0 . 5.35 229 225 A 58 LEU HDx% A 61 LYS HDx 1.0 . 5.46 230 226 A 58 LEU HDx% A 63 PHE HBy 1.0 . 5.30 231 227 A 105 LEU HA A 58 LEU HDx% 1.0 . 6.60 232 228 A 105 LEU HDx% A 58 LEU HDx% 1.0 . 6.76 233 229 A 58 LEU HDy% A 63 PHE HE% 1.0 . 7.48 234 230 A 105 LEU HA A 58 LEU HDy% 1.0 . 5.65 235 231 A 58 LEU HDy% A 105 LEU HBx 1.0 . 5.02 236 232 A 58 LEU HDy% A 105 LEU HBy 1.0 . 5.29 237 233 A 105 LEU HDx% A 58 LEU HDy% 1.0 . 5.66 238 234 A 58 LEU HDy% A 105 LEU HDy% 1.0 . 5.61 239 235 A 59 VAL H A 59 VAL HB 1.0 . 3.67 240 236 A 59 VAL HGx% A 59 VAL H 1.0 . 4.88 241 237 A 59 VAL H A 59 VAL HGy% 1.0 . 4.25 242 238 A 59 VAL H A 60 GLY H 1.0 . 4.92 243 239 A 61 LYS H A 59 VAL HA 1.0 . 4.51 244 240 A 59 VAL HB A 60 GLY H 1.0 . 5.50 245 241 A 59 VAL HGx% A 60 GLY H 1.0 . 5.61 246 242 A 59 VAL HGx% A 61 LYS H 1.0 . 6.43 247 243 A 60 GLY H A 61 LYS H 1.0 . 4.12 248 244 A 61 LYS H A 61 LYS HBx 1.0 . 4.10 249 245 A 61 LYS H A 61 LYS HBy 1.0 . 3.76 250 246 A 61 LYS H A 61 LYS HGy 1.0 . 3.96 251 247 A 61 LYS HDx A 61 LYS HA 1.0 . 5.40 252 248 A 61 LYS HA A 61 LYS HDy 1.0 . 4.27 253 249 A 61 LYS HA A 62 PRO HDx 1.0 . 3.39 254 250 A 61 LYS HA A 62 PRO HDy 1.0 . 3.30 255 251 A 61 LYS HBx A 62 PRO HDx 1.0 . 4.05 256 252 A 61 LYS HBx A 62 PRO HDy 1.0 . 4.01 257 253 A 61 LYS HBx A 131 ILE HG2% 1.0 . 5.59 258 254 A 61 LYS HBy A 61 LYS HDx 1.0 . 4.25 259 255 A 61 LYS HBy A 62 PRO HDx 1.0 . 4.41 260 256 A 61 LYS HGx A 131 ILE HG2% 1.0 . 5.80 261 257 A 131 ILE HD1% A 61 LYS HGx 1.0 . 5.45 262 258 A 61 LYS HDx A 63 PHE HA 1.0 . 4.58 263 259 A 61 LYS HDx A 63 PHE HBy 1.0 . 3.72 264 260 A 61 LYS HDx A 131 ILE HA 1.0 . 3.98 265 261 A 131 ILE HD1% A 61 LYS HDx 1.0 . 4.02 266 262 A 61 LYS HDx A 132 THR H 1.0 . 5.25 267 263 A 63 PHE HBy A 61 LYS HDy 1.0 . 3.62 268 264 A 61 LYS HDy A 131 ILE HG2% 1.0 . 5.27 269 265 A 131 ILE HD1% A 61 LYS HDy 1.0 . 5.24 270 266 A 62 PRO HA A 63 PHE H 1.0 . 2.99 271 267 A 62 PRO HA A 63 PHE HD% 1.0 . 6.74 272 268 A 63 PHE H A 62 PRO HBy 1.0 . 4.50 273 269 A 132 THR H A 62 PRO HBy 1.0 . 5.79 274 270 A 62 PRO HBy A 132 THR HG2% 1.0 . 5.47 275 271 A 63 PHE H A 64 ARG H 1.0 . 5.18 276 272 A 63 PHE HA A 64 ARG H 1.0 . 3.18 277 273 A 63 PHE HA A 131 ILE HA 1.0 . 3.44 278 274 A 63 PHE HA A 131 ILE HB 1.0 . 5.08 279 275 A 131 ILE HG2% A 63 PHE HA 1.0 . 5.31 280 276 A 131 ILE HD1% A 63 PHE HA 1.0 . 5.81 281 277 A 63 PHE HA A 132 THR H 1.0 . 4.36 282 278 A 63 PHE HA A 132 THR HG2% 1.0 . 5.59 283 279 A 64 ARG H A 63 PHE HBx 1.0 . 4.02 284 280 A 63 PHE HBx A 129 LEU HBy 1.0 . 4.39 285 281 A 63 PHE HBx A 129 LEU HBx 1.0 . 4.52 286 282 A 63 PHE HBx A 131 ILE H 1.0 . 5.33 287 283 A 131 ILE HA A 63 PHE HBx 1.0 . 3.97 288 284 A 131 ILE HG2% A 63 PHE HBx 1.0 . 5.43 289 285 A 63 PHE HBx A 131 ILE HG12 1.0 . 4.96 290 285 A 63 PHE HBx A 131 ILE HG13 1.0 . 4.96 291 286 A 131 ILE HD1% A 63 PHE HBx 1.0 . 5.52 292 287 A 132 THR H A 63 PHE HBx 1.0 . 5.48 293 288 A 63 PHE HBy A 64 ARG H 1.0 . 4.13 294 289 A 63 PHE HBy A 129 LEU HBx 1.0 . 5.50 295 290 A 63 PHE HBy A 131 ILE HA 1.0 . 3.81 296 291 A 63 PHE HBy A 131 ILE HG12 1.0 . 5.40 297 291 A 63 PHE HBy A 131 ILE HG13 1.0 . 5.40 298 292 A 131 ILE HD1% A 63 PHE HBy 1.0 . 5.36 299 293 A 63 PHE HBy A 132 THR H 1.0 . 5.00 300 294 A 63 PHE HD% A 64 ARG H 1.0 . 7.09 301 295 A 63 PHE HD% A 129 LEU HBx 1.0 . 5.77 302 296 A 63 PHE HD% A 129 LEU HDx% 1.0 . 6.62 303 297 A 63 PHE HD% A 129 LEU HDy% 1.0 . 7.91 304 298 A 63 PHE HE% A 64 ARG H 1.0 . 7.70 305 299 A 63 PHE HE% A 129 LEU HDx% 1.0 . 6.89 306 300 A 64 ARG H A 64 ARG HBx 1.0 . 4.18 307 301 A 64 ARG H A 64 ARG HGy 1.0 . 4.65 308 302 A 64 ARG H A 64 ARG HGx 1.0 . 4.63 309 303 A 64 ARG H A 130 ASN H 1.0 . 4.29 310 304 A 64 ARG H A 130 ASN HBy 1.0 . 4.79 311 305 A 131 ILE HA A 64 ARG H 1.0 . 4.48 312 306 A 64 ARG H A 131 ILE HG12 1.0 . 6.23 313 306 A 64 ARG H A 131 ILE HG13 1.0 . 6.23 314 307 A 131 ILE HD1% A 64 ARG H 1.0 . 6.60 315 308 A 132 THR HG2% A 64 ARG H 1.0 . 6.33 316 309 A 64 ARG HGx A 64 ARG HA 1.0 . 4.11 317 310 A 64 ARG HA A 64 ARG HDy 1.0 . 5.00 318 311 A 64 ARG HA A 65 ASP H 1.0 . 3.52 319 312 A 64 ARG HBx A 64 ARG HDx 1.0 . 4.16 320 313 A 64 ARG HBx A 65 ASP H 1.0 . 5.34 321 314 A 64 ARG HBx A 130 ASN H 1.0 . 4.85 322 315 A 64 ARG HBx A 130 ASN HBy 1.0 . 3.97 323 316 A 64 ARG HBx A 132 THR HB 1.0 . 4.31 324 317 A 64 ARG HDy A 64 ARG HBy 1.0 . 4.25 325 318 A 130 ASN H A 64 ARG HBy 1.0 . 4.60 326 319 A 130 ASN HBy A 64 ARG HBy 1.0 . 4.12 327 320 A 64 ARG HGy A 130 ASN HBx 1.0 . 5.00 328 321 A 64 ARG HDy A 66 LEU HDx% 1.0 . 5.10 329 322 A 64 ARG HDy A 66 LEU HDy% 1.0 . 6.60 330 323 A 65 ASP H A 65 ASP HBy 1.0 . 4.15 331 324 A 65 ASP HA A 66 LEU H 1.0 . 3.27 332 325 A 65 ASP HA A 129 LEU HA 1.0 . 4.02 333 326 A 129 LEU HDx% A 65 ASP HA 1.0 . 4.43 334 327 A 66 LEU H A 65 ASP HBx 1.0 . 5.30 335 328 A 129 LEU HDx% A 65 ASP HBx 1.0 . 5.43 336 329 A 65 ASP HBy A 66 LEU H 1.0 . 5.27 337 330 A 66 LEU H A 66 LEU HBx 1.0 . 4.17 338 331 A 66 LEU H A 66 LEU HG 1.0 . 4.26 339 332 A 66 LEU HDx% A 66 LEU H 1.0 . 5.36 340 333 A 66 LEU HDy% A 66 LEU H 1.0 . 5.68 341 334 A 66 LEU H A 67 GLY H 1.0 . 4.00 342 335 A 66 LEU H A 129 LEU HA 1.0 . 4.02 343 336 A 129 LEU HDx% A 66 LEU H 1.0 . 5.24 344 337 A 129 LEU HDy% A 66 LEU H 1.0 . 6.60 345 338 A 66 LEU HDx% A 66 LEU HA 1.0 . 4.06 346 339 A 66 LEU HDy% A 66 LEU HA 1.0 . 5.07 347 340 A 66 LEU HBx A 99 MET HE% 1.0 . 5.00 348 341 A 66 LEU HBx A 128 ALA HB% 1.0 . 4.92 349 342 A 129 LEU HA A 66 LEU HBx 1.0 . 3.69 350 343 A 99 MET HE% A 66 LEU HBy 1.0 . 3.71 351 344 A 66 LEU HBy A 128 ALA H 1.0 . 5.67 352 345 A 128 ALA HB% A 66 LEU HBy 1.0 . 4.62 353 346 A 66 LEU HG A 67 GLY H 1.0 . 4.53 354 347 A 129 LEU HA A 66 LEU HG 1.0 . 4.76 355 348 A 130 ASN H A 66 LEU HG 1.0 . 5.00 356 349 A 130 ASN HBx A 66 LEU HG 1.0 . 4.52 357 350 A 66 LEU HDx% A 100 LYS HG2 1.0 . 6.60 358 350 A 66 LEU HDx% A 100 LYS HG3 1.0 . 6.60 359 351 A 66 LEU HDx% A 129 LEU HA 1.0 . 5.54 360 352 A 129 LEU HDx% A 66 LEU HDx% 1.0 . 6.38 361 353 A 130 ASN H A 66 LEU HDx% 1.0 . 5.64 362 354 A 66 LEU HDx% A 130 ASN HA 1.0 . 5.74 363 355 A 130 ASN HBx A 66 LEU HDx% 1.0 . 4.73 364 356 A 130 ASN HBy A 66 LEU HDx% 1.0 . 4.87 365 357 A 66 LEU HDy% A 67 GLY H 1.0 . 6.43 366 358 A 66 LEU HDy% A 99 MET HBx 1.0 . 5.33 367 359 A 66 LEU HDy% A 99 MET HBy 1.0 . 5.39 368 360 A 66 LEU HDy% A 99 MET HE% 1.0 . 5.60 369 361 A 66 LEU HDy% A 100 LYS H 1.0 . 6.60 370 362 A 66 LEU HDy% A 100 LYS HBx 1.0 . 5.60 371 363 A 66 LEU HDy% A 100 LYS HBy 1.0 . 5.73 372 364 A 66 LEU HDy% A 100 LYS HG2 1.0 . 5.37 373 364 A 66 LEU HDy% A 100 LYS HG3 1.0 . 5.37 374 365 A 66 LEU HDy% A 101 ALA H 1.0 . 5.34 375 366 A 66 LEU HDy% A 101 ALA HA 1.0 . 4.49 376 367 A 66 LEU HDy% A 101 ALA HB% 1.0 . 5.06 377 368 A 66 LEU HDy% A 130 ASN HA 1.0 . 6.21 378 369 A 130 ASN HBx A 66 LEU HDy% 1.0 . 4.52 379 370 A 130 ASN HBy A 66 LEU HDy% 1.0 . 5.08 380 371 A 67 GLY H A 68 GLU H 1.0 . 4.81 381 372 A 67 GLY H A 99 MET HE% 1.0 . 4.50 382 373 A 67 GLY H A 128 ALA H 1.0 . 5.22 383 374 A 67 GLY H A 128 ALA HB% 1.0 . 5.48 384 375 A 129 LEU HA A 67 GLY H 1.0 . 4.69 385 376 A 129 LEU HDx% A 67 GLY H 1.0 . 6.60 386 377 A 68 GLU H A 67 GLY HAx 1.0 . 3.36 387 378 A 67 GLY HAx A 68 GLU HBx 1.0 . 5.50 388 379 A 67 GLY HAx A 68 GLU HBy 1.0 . 5.00 389 380 A 99 MET HE% A 67 GLY HAx 1.0 . 5.23 390 381 A 128 ALA H A 67 GLY HAx 1.0 . 4.87 391 382 A 68 GLU H A 67 GLY HAy 1.0 . 3.38 392 383 A 99 MET HE% A 67 GLY HAy 1.0 . 3.79 393 384 A 128 ALA H A 67 GLY HAy 1.0 . 4.92 394 385 A 128 ALA HB% A 67 GLY HAy 1.0 . 5.37 395 386 A 68 GLU H A 68 GLU HBx 1.0 . 3.59 396 387 A 68 GLU H A 68 GLU HBy 1.0 . 3.31 397 388 A 68 GLU H A 68 GLU HGy 1.0 . 4.70 398 389 A 68 GLU H A 69 VAL H 1.0 . 4.94 399 390 A 68 GLU H A 127 SER HA 1.0 . 5.50 400 391 A 128 ALA H A 68 GLU H 1.0 . 5.35 401 392 A 68 GLU HA A 68 GLU HGx 1.0 . 4.24 402 393 A 68 GLU HGy A 68 GLU HA 1.0 . 3.91 403 394 A 127 SER HA A 68 GLU HA 1.0 . 3.59 404 395 A 68 GLU HBx A 69 VAL H 1.0 . 4.27 405 396 A 68 GLU HBy A 68 GLU HGx 1.0 . 2.92 406 397 A 68 GLU HBy A 69 VAL H 1.0 . 4.68 407 398 A 68 GLU HBy A 127 SER HA 1.0 . 4.88 408 399 A 128 ALA H A 68 GLU HBy 1.0 . 5.37 409 400 A 69 VAL H A 68 GLU HGx 1.0 . 4.26 410 401 A 127 SER HA A 68 GLU HGx 1.0 . 4.95 411 402 A 68 GLU HGy A 69 VAL H 1.0 . 4.09 412 403 A 68 GLU HGy A 125 ILE HG2% 1.0 . 4.82 413 404 A 68 GLU HGy A 127 SER HA 1.0 . 4.45 414 405 A 69 VAL H A 69 VAL HB 1.0 . 4.06 415 406 A 69 VAL H A 69 VAL HGx% 1.0 . 4.51 416 407 A 69 VAL H A 70 SER H 1.0 . 5.40 417 408 A 69 VAL H A 96 ALA HA 1.0 . 5.89 418 409 A 69 VAL H A 127 SER HA 1.0 . 4.13 419 410 A 128 ALA H A 69 VAL H 1.0 . 4.80 420 411 A 128 ALA HB% A 69 VAL H 1.0 . 4.74 421 412 A 70 SER H A 69 VAL HA 1.0 . 3.05 422 413 A 128 ALA HB% A 69 VAL HA 1.0 . 5.66 423 414 A 69 VAL HB A 70 SER H 1.0 . 4.37 424 415 A 69 VAL HB A 96 ALA H 1.0 . 4.86 425 416 A 69 VAL HB A 96 ALA HA 1.0 . 4.39 426 417 A 96 ALA HB% A 69 VAL HB 1.0 . 4.74 427 418 A 69 VAL HGx% A 70 SER H 1.0 . 5.41 428 419 A 69 VAL HGx% A 92 MET HA 1.0 . 5.73 429 420 A 69 VAL HGx% A 96 ALA H 1.0 . 5.57 430 421 A 69 VAL HGx% A 96 ALA HA 1.0 . 4.97 431 422 A 99 MET HE% A 69 VAL HGx% 1.0 . 5.74 432 423 A 69 VAL HGx% A 126 GLY H 1.0 . 5.51 433 424 A 127 SER HA A 69 VAL HGx% 1.0 . 5.53 434 425 A 128 ALA H A 69 VAL HGx% 1.0 . 5.42 435 426 A 69 VAL HGx% A 128 ALA HA 1.0 . 5.36 436 427 A 128 ALA HB% A 69 VAL HGx% 1.0 . 5.21 437 428 A 70 SER H A 69 VAL HGy% 1.0 . 4.43 438 429 A 92 MET HA A 69 VAL HGy% 1.0 . 5.08 439 430 A 69 VAL HGy% A 95 ASN HBx 1.0 . 4.47 440 431 A 69 VAL HGy% A 95 ASN HBy 1.0 . 4.97 441 432 A 96 ALA H A 69 VAL HGy% 1.0 . 4.78 442 433 A 96 ALA HA A 69 VAL HGy% 1.0 . 4.54 443 434 A 96 ALA HB% A 69 VAL HGy% 1.0 . 5.44 444 435 A 99 MET HE% A 69 VAL HGy% 1.0 . 5.68 445 436 A 128 ALA HB% A 69 VAL HGy% 1.0 . 5.60 446 437 A 70 SER H A 71 GLY H 1.0 . 4.62 447 438 A 70 SER H A 95 ASN HBy 1.0 . 5.11 448 439 A 70 SER H A 95 ASN HD2x 1.0 . 5.50 449 440 A 70 SER H A 125 ILE HA 1.0 . 5.50 450 441 A 71 GLY H A 70 SER HA 1.0 . 3.29 451 442 A 70 SER HA A 92 MET HBx 1.0 . 4.51 452 443 A 70 SER HA A 92 MET HGy 1.0 . 3.92 453 444 A 125 ILE HA A 70 SER HA 1.0 . 3.45 454 445 A 125 ILE HG2% A 70 SER HA 1.0 . 5.38 455 446 A 126 GLY H A 70 SER HA 1.0 . 4.05 456 447 A 71 GLY H A 70 SER HBx 1.0 . 4.03 457 448 A 70 SER HBx A 123 VAL HGx% 1.0 . 5.15 458 449 A 125 ILE HA A 70 SER HBx 1.0 . 4.59 459 450 A 70 SER HBx A 125 ILE HG1x 1.0 . 4.45 460 451 A 71 GLY H A 70 SER HBy 1.0 . 3.82 461 452 A 123 VAL HGx% A 70 SER HBy 1.0 . 4.83 462 453 A 70 SER HBy A 125 ILE H 1.0 . 5.50 463 454 A 125 ILE HA A 70 SER HBy 1.0 . 4.07 464 455 A 125 ILE HG2% A 70 SER HBy 1.0 . 5.04 465 456 A 125 ILE HG1x A 70 SER HBy 1.0 . 4.32 466 457 A 70 SER HBy A 125 ILE HG1y 1.0 . 4.61 467 458 A 70 SER HBy A 125 ILE HD1% 1.0 . 5.32 468 459 A 126 GLY H A 70 SER HBy 1.0 . 4.80 469 460 A 71 GLY H A 88 ALA HB% 1.0 . 6.60 470 461 A 71 GLY H A 92 MET HBx 1.0 . 4.61 471 462 A 71 GLY H A 92 MET HBy 1.0 . 4.76 472 463 A 71 GLY H A 92 MET HGy 1.0 . 5.30 473 464 A 71 GLY H A 123 VAL HGx% 1.0 . 5.47 474 465 A 71 GLY H A 124 CYS H 1.0 . 4.27 475 466 A 71 GLY H A 124 CYS HBy 1.0 . 5.50 476 467 A 71 GLY H A 125 ILE H 1.0 . 5.26 477 468 A 71 GLY H A 125 ILE HA 1.0 . 4.66 478 469 A 71 GLY H A 125 ILE HG1x 1.0 . 5.50 479 470 A 71 GLY H A 125 ILE HG1y 1.0 . 5.47 480 471 A 71 GLY HAx A 88 ALA HA 1.0 . 5.50 481 472 A 71 GLY HAx A 91 ARG HBx 1.0 . 4.33 482 473 A 71 GLY HAx A 91 ARG HBy 1.0 . 4.27 483 474 A 71 GLY HAx A 91 ARG HD3 1.0 . 4.70 484 475 A 71 GLY HAx A 92 MET H 1.0 . 4.26 485 476 A 92 MET HA A 71 GLY HAx 1.0 . 3.95 486 477 A 92 MET HBx A 71 GLY HAx 1.0 . 5.50 487 478 A 92 MET HBy A 71 GLY HAx 1.0 . 5.00 488 479 A 71 GLY HAy A 72 ASP H 1.0 . 3.44 489 480 A 91 ARG HBx A 71 GLY HAy 1.0 . 4.19 490 481 A 91 ARG HBy A 71 GLY HAy 1.0 . 4.36 491 482 A 92 MET H A 71 GLY HAy 1.0 . 4.47 492 483 A 92 MET HA A 71 GLY HAy 1.0 . 4.69 493 484 A 92 MET HBy A 71 GLY HAy 1.0 . 4.89 494 485 A 72 ASP H A 72 ASP HB3 1.0 . 3.93 495 486 A 72 ASP H A 73 SER H 1.0 . 4.94 496 487 A 88 ALA HA A 72 ASP H 1.0 . 4.90 497 488 A 88 ALA HB% A 72 ASP H 1.0 . 6.24 498 489 A 91 ARG HBx A 72 ASP H 1.0 . 4.41 499 490 A 91 ARG HBy A 72 ASP H 1.0 . 4.62 500 491 A 91 ARG HD3 A 72 ASP H 1.0 . 4.35 501 492 A 72 ASP H A 123 VAL HGy% 1.0 . 5.78 502 493 A 73 SER H A 72 ASP HA 1.0 . 3.35 503 494 A 88 ALA HB% A 72 ASP HA 1.0 . 4.61 504 495 A 72 ASP HA A 122 ALA H 1.0 . 5.50 505 496 A 72 ASP HA A 123 VAL H 1.0 . 5.05 506 497 A 72 ASP HA A 123 VAL HA 1.0 . 3.64 507 498 A 123 VAL HGx% A 72 ASP HA 1.0 . 5.21 508 499 A 123 VAL HGy% A 72 ASP HA 1.0 . 5.22 509 500 A 124 CYS H A 72 ASP HA 1.0 . 4.30 510 501 A 73 SER H A 72 ASP HB2 1.0 . 3.75 511 502 A 88 ALA HB% A 72 ASP HB2 1.0 . 6.78 512 503 A 72 ASP HB2 A 121 GLN HG2 1.0 . 5.17 513 503 A 72 ASP HB2 A 121 GLN HG3 1.0 . 5.17 514 504 A 72 ASP HB2 A 121 GLN HE2x 1.0 . 4.61 515 505 A 122 ALA H A 72 ASP HB2 1.0 . 5.73 516 506 A 123 VAL HGy% A 72 ASP HB2 1.0 . 4.59 517 507 A 72 ASP HB3 A 123 VAL HA 1.0 . 4.22 518 508 A 123 VAL HGx% A 72 ASP HB3 1.0 . 5.04 519 509 A 72 ASP HB3 A 123 VAL HGy% 1.0 . 4.90 520 510 A 124 CYS H A 72 ASP HB3 1.0 . 5.45 521 511 A 88 ALA HB% A 73 SER H 1.0 . 5.25 522 512 A 73 SER H A 121 GLN HA 1.0 . 5.44 523 513 A 73 SER H A 121 GLN HG2 1.0 . 5.78 524 513 A 73 SER H A 121 GLN HG3 1.0 . 5.78 525 514 A 73 SER H A 122 ALA H 1.0 . 4.33 526 515 A 73 SER H A 122 ALA HB% 1.0 . 5.41 527 516 A 73 SER H A 123 VAL H 1.0 . 5.50 528 517 A 73 SER H A 123 VAL HA 1.0 . 4.56 529 518 A 73 SER H A 123 VAL HGy% 1.0 . 5.67 530 519 A 88 ALA HB% A 73 SER HA 1.0 . 6.20 531 520 A 73 SER HBx A 83 PRO HA 1.0 . 4.61 532 521 A 73 SER HBx A 88 ALA H 1.0 . 4.92 533 522 A 88 ALA HB% A 73 SER HBx 1.0 . 5.09 534 523 A 122 ALA H A 73 SER HBx 1.0 . 4.78 535 524 A 122 ALA HB% A 73 SER HBx 1.0 . 4.82 536 525 A 88 ALA H A 73 SER HBy 1.0 . 5.00 537 526 A 88 ALA HB% A 73 SER HBy 1.0 . 4.94 538 527 A 122 ALA H A 73 SER HBy 1.0 . 5.50 539 528 A 122 ALA HB% A 73 SER HBy 1.0 . 5.60 540 529 A 74 CYS HA A 75 GLN H 1.0 . 3.40 541 530 A 121 GLN HA A 74 CYS HA 1.0 . 3.87 542 531 A 74 CYS HA A 121 GLN HBx 1.0 . 4.32 543 532 A 74 CYS HA A 121 GLN HG2 1.0 . 4.93 544 532 A 121 GLN HG3 A 74 CYS HA 1.0 . 4.93 545 533 A 122 ALA H A 74 CYS HA 1.0 . 4.51 546 534 A 75 GLN H A 74 CYS HBx 1.0 . 5.08 547 535 A 75 GLN H A 75 GLN HBy 1.0 . 4.13 548 536 A 75 GLN H A 75 GLN HGy 1.0 . 4.92 549 537 A 75 GLN H A 76 ALA H 1.0 . 5.50 550 538 A 75 GLN H A 120 ARG H 1.0 . 4.58 551 539 A 121 GLN HA A 75 GLN H 1.0 . 4.27 552 540 A 122 ALA H A 75 GLN H 1.0 . 5.88 553 541 A 76 ALA H A 75 GLN HA 1.0 . 3.57 554 542 A 75 GLN HBx A 83 PRO HDy 1.0 . 4.15 555 543 A 120 ARG H A 75 GLN HBx 1.0 . 4.87 556 544 A 75 GLN HBx A 120 ARG HB3 1.0 . 5.76 557 545 A 75 GLN HBy A 76 ALA H 1.0 . 5.27 558 546 A 75 GLN HBy A 83 PRO HDy 1.0 . 4.40 559 547 A 75 GLN HBy A 120 ARG H 1.0 . 4.98 560 548 A 75 GLN HGx A 83 PRO HGx 1.0 . 4.40 561 549 A 75 GLN HGx A 83 PRO HDx 1.0 . 4.36 562 550 A 83 PRO HDy A 75 GLN HGx 1.0 . 4.39 563 551 A 120 ARG H A 75 GLN HGx 1.0 . 4.32 564 552 A 121 GLN HA A 75 GLN HGx 1.0 . 4.50 565 553 A 75 GLN HGy A 120 ARG H 1.0 . 4.50 566 554 A 76 ALA H A 77 SER H 1.0 . 4.09 567 555 A 76 ALA H A 80 ASP HBx 1.0 . 4.96 568 556 A 76 ALA H A 80 ASP HBy 1.0 . 4.95 569 557 A 76 ALA H A 118 CYS HA 1.0 . 5.17 570 558 A 76 ALA HA A 118 CYS H 1.0 . 5.36 571 559 A 118 CYS HA A 76 ALA HA 1.0 . 3.22 572 560 A 76 ALA HA A 119 TYR H 1.0 . 3.96 573 561 A 76 ALA HB% A 77 SER HBx 1.0 . 5.16 574 562 A 76 ALA HB% A 77 SER HBy 1.0 . 5.88 575 563 A 118 CYS HA A 76 ALA HB% 1.0 . 5.14 576 564 A 119 TYR H A 76 ALA HB% 1.0 . 6.60 577 565 A 77 SER H A 79 GLN H 1.0 . 5.47 578 566 A 77 SER H A 80 ASP H 1.0 . 4.87 579 567 A 77 SER H A 80 ASP HBx 1.0 . 4.19 580 568 A 77 SER H A 80 ASP HBy 1.0 . 4.50 581 569 A 77 SER H A 119 TYR H 1.0 . 5.50 582 570 A 77 SER HA A 119 TYR HBx 1.0 . 4.26 583 571 A 77 SER HA A 119 TYR HBy 1.0 . 4.50 584 572 A 77 SER HBy A 79 GLN H 1.0 . 5.23 585 573 A 77 SER HBy A 80 ASP H 1.0 . 5.50 586 574 A 80 ASP H A 78 ASN H 1.0 . 5.11 587 575 A 78 ASN HA A 78 ASN HD2x 1.0 . 4.29 588 576 A 80 ASP H A 78 ASN HA 1.0 . 4.97 589 577 A 79 GLN H A 78 ASN HBx 1.0 . 5.33 590 578 A 79 GLN H A 79 GLN HBx 1.0 . 3.98 591 579 A 79 GLN H A 79 GLN HG2 1.0 . 4.94 592 579 A 79 GLN H A 79 GLN HG3 1.0 . 4.94 593 580 A 79 GLN H A 79 GLN HE2x 1.0 . 5.50 594 581 A 79 GLN H A 80 ASP H 1.0 . 3.74 595 582 A 80 ASP H A 79 GLN HBx 1.0 . 5.15 596 583 A 80 ASP H A 79 GLN HG2 1.0 . 5.38 597 583 A 80 ASP H A 79 GLN HG3 1.0 . 5.38 598 584 A 80 ASP H A 79 GLN HE2x 1.0 . 5.49 599 585 A 80 ASP HBx A 80 ASP H 1.0 . 3.77 600 586 A 80 ASP H A 81 SER H 1.0 . 5.14 601 587 A 81 SER H A 80 ASP HA 1.0 . 3.49 602 588 A 80 ASP HBx A 81 SER H 1.0 . 4.49 603 589 A 80 ASP HBy A 81 SER H 1.0 . 3.88 604 590 A 81 SER H A 81 SER HBx 1.0 . 3.86 605 591 A 81 SER HA A 81 SER HBy 1.0 . 3.00 606 592 A 81 SER HA A 82 PRO HDy 1.0 . 3.07 607 593 A 81 SER HA A 82 PRO HDx 1.0 . 2.96 608 594 A 81 SER HBx A 82 PRO HDx 1.0 . 4.45 609 595 A 81 SER HBy A 82 PRO HDy 1.0 . 3.43 610 596 A 81 SER HBy A 82 PRO HDx 1.0 . 3.25 611 597 A 83 PRO HA A 84 SER HBy 1.0 . 5.64 612 598 A 122 ALA H A 83 PRO HA 1.0 . 5.50 613 599 A 83 PRO HBx A 111 VAL HGy% 1.0 . 4.83 614 600 A 122 ALA H A 83 PRO HBx 1.0 . 4.61 615 601 A 83 PRO HBx A 122 ALA HA 1.0 . 4.60 616 602 A 122 ALA HB% A 83 PRO HBx 1.0 . 4.57 617 603 A 111 VAL HGy% A 83 PRO HBy 1.0 . 5.62 618 604 A 122 ALA H A 83 PRO HBy 1.0 . 4.14 619 605 A 122 ALA HB% A 83 PRO HBy 1.0 . 4.89 620 606 A 83 PRO HGx A 111 VAL HGy% 1.0 . 5.04 621 607 A 83 PRO HGx A 120 ARG HGy 1.0 . 3.81 622 608 A 122 ALA HB% A 83 PRO HGx 1.0 . 5.36 623 609 A 111 VAL HGy% A 83 PRO HGy 1.0 . 5.02 624 610 A 120 ARG HGy A 83 PRO HGy 1.0 . 4.05 625 611 A 122 ALA HB% A 83 PRO HGy 1.0 . 5.50 626 612 A 84 SER H A 84 SER HBx 1.0 . 4.12 627 613 A 84 SER HBy A 84 SER H 1.0 . 4.14 628 614 A 84 SER H A 85 ILE H 1.0 . 5.50 629 615 A 84 SER H A 87 THR H 1.0 . 5.50 630 616 A 88 ALA H A 84 SER H 1.0 . 5.40 631 617 A 122 ALA HB% A 84 SER H 1.0 . 6.46 632 618 A 84 SER HA A 85 ILE HA 1.0 . 4.84 633 619 A 84 SER HA A 85 ILE HD1% 1.0 . 5.47 634 620 A 87 THR H A 84 SER HA 1.0 . 5.05 635 621 A 88 ALA H A 84 SER HA 1.0 . 5.50 636 622 A 84 SER HBx A 87 THR H 1.0 . 4.23 637 623 A 84 SER HBx A 87 THR HA 1.0 . 5.00 638 624 A 84 SER HBx A 87 THR HB 1.0 . 3.90 639 625 A 84 SER HBx A 87 THR HG2% 1.0 . 5.75 640 626 A 84 SER HBy A 87 THR HB 1.0 . 4.12 641 627 A 85 ILE H A 85 ILE HB 1.0 . 3.91 642 628 A 85 ILE H A 85 ILE HG1y 1.0 . 4.44 643 629 A 85 ILE H A 85 ILE HD1% 1.0 . 5.64 644 630 A 85 ILE H A 86 PRO HGx 1.0 . 5.50 645 631 A 85 ILE H A 86 PRO HDx 1.0 . 4.03 646 632 A 85 ILE H A 86 PRO HDy 1.0 . 4.16 647 633 A 85 ILE H A 87 THR H 1.0 . 5.50 648 634 A 88 ALA H A 85 ILE H 1.0 . 5.50 649 635 A 122 ALA HB% A 85 ILE H 1.0 . 6.56 650 636 A 85 ILE HA A 85 ILE HG1x 1.0 . 4.03 651 637 A 85 ILE HA A 85 ILE HG1y 1.0 . 3.74 652 638 A 88 ALA H A 85 ILE HA 1.0 . 4.42 653 639 A 122 ALA HB% A 85 ILE HA 1.0 . 4.88 654 640 A 85 ILE HB A 86 PRO HDx 1.0 . 3.33 655 641 A 85 ILE HB A 86 PRO HDy 1.0 . 4.32 656 642 A 85 ILE HG2% A 86 PRO HA 1.0 . 5.39 657 643 A 86 PRO HDx A 85 ILE HG2% 1.0 . 4.97 658 644 A 86 PRO HDy A 85 ILE HG2% 1.0 . 5.37 659 645 A 88 ALA H A 85 ILE HG2% 1.0 . 6.60 660 646 A 85 ILE HG2% A 89 ARG H 1.0 . 6.13 661 647 A 89 ARG HBx A 85 ILE HG2% 1.0 . 5.60 662 648 A 89 ARG HBy A 85 ILE HG2% 1.0 . 6.10 663 649 A 89 ARG HGy A 85 ILE HG2% 1.0 . 5.23 664 650 A 89 ARG HDx A 85 ILE HG2% 1.0 . 5.02 665 651 A 89 ARG HDy A 85 ILE HG2% 1.0 . 4.99 666 652 A 85 ILE HG2% A 109 CYS HBx 1.0 . 5.28 667 653 A 85 ILE HG2% A 109 CYS HBy 1.0 . 5.51 668 654 A 85 ILE HG1x A 109 CYS HBx 1.0 . 4.72 669 655 A 85 ILE HG1y A 111 VAL HGx% 1.0 . 6.10 670 656 A 122 ALA HB% A 85 ILE HG1y 1.0 . 6.39 671 657 A 85 ILE HD1% A 109 CYS HBx 1.0 . 5.90 672 658 A 85 ILE HD1% A 109 CYS HBy 1.0 . 5.17 673 659 A 85 ILE HD1% A 111 VAL HB 1.0 . 5.60 674 660 A 85 ILE HD1% A 111 VAL HGx% 1.0 . 5.25 675 661 A 122 ALA HB% A 85 ILE HD1% 1.0 . 5.92 676 662 A 86 PRO HA A 89 ARG H 1.0 . 4.70 677 663 A 89 ARG HBx A 86 PRO HA 1.0 . 4.12 678 664 A 89 ARG HBy A 86 PRO HA 1.0 . 4.26 679 665 A 89 ARG HDx A 86 PRO HA 1.0 . 4.49 680 666 A 89 ARG HDy A 86 PRO HA 1.0 . 5.00 681 667 A 87 THR H A 86 PRO HBx 1.0 . 4.25 682 668 A 87 THR HA A 86 PRO HBx 1.0 . 4.36 683 669 A 87 THR H A 86 PRO HBy 1.0 . 4.56 684 670 A 87 THR H A 86 PRO HGx 1.0 . 5.39 685 671 A 87 THR H A 86 PRO HGy 1.0 . 5.31 686 672 A 87 THR H A 86 PRO HDy 1.0 . 3.85 687 673 A 87 THR H A 87 THR HB 1.0 . 3.73 688 674 A 87 THR H A 89 ARG H 1.0 . 5.36 689 675 A 87 THR HA A 90 LYS H 1.0 . 4.29 690 676 A 87 THR HA A 90 LYS HBx 1.0 . 3.65 691 677 A 87 THR HA A 90 LYS HBy 1.0 . 3.86 692 678 A 88 ALA H A 87 THR HB 1.0 . 4.03 693 679 A 87 THR HB A 90 LYS H 1.0 . 5.82 694 680 A 88 ALA H A 87 THR HG2% 1.0 . 5.04 695 681 A 88 ALA HA A 87 THR HG2% 1.0 . 5.18 696 682 A 87 THR HG2% A 91 ARG H 1.0 . 5.79 697 683 A 87 THR HG2% A 91 ARG HGy 1.0 . 4.89 698 684 A 87 THR HG2% A 91 ARG HD2 1.0 . 4.88 699 685 A 88 ALA H A 89 ARG H 1.0 . 3.96 700 686 A 89 ARG HGy A 88 ALA H 1.0 . 5.37 701 687 A 122 ALA HB% A 88 ALA H 1.0 . 5.93 702 688 A 88 ALA HA A 91 ARG H 1.0 . 4.39 703 689 A 88 ALA HA A 91 ARG HBx 1.0 . 3.85 704 690 A 88 ALA HA A 91 ARG HBy 1.0 . 4.18 705 691 A 88 ALA HA A 91 ARG HD2 1.0 . 4.33 706 692 A 88 ALA HB% A 89 ARG HA 1.0 . 5.35 707 693 A 88 ALA HB% A 91 ARG H 1.0 . 6.05 708 694 A 88 ALA HB% A 92 MET H 1.0 . 6.60 709 695 A 88 ALA HB% A 122 ALA H 1.0 . 6.60 710 696 A 88 ALA HB% A 122 ALA HB% 1.0 . 5.45 711 697 A 88 ALA HB% A 123 VAL HA 1.0 . 5.23 712 698 A 88 ALA HB% A 124 CYS H 1.0 . 5.17 713 699 A 88 ALA HB% A 124 CYS HBx 1.0 . 5.54 714 700 A 88 ALA HB% A 124 CYS HBy 1.0 . 5.78 715 701 A 89 ARG HBx A 89 ARG H 1.0 . 3.72 716 702 A 89 ARG HBy A 89 ARG H 1.0 . 3.54 717 703 A 89 ARG HGy A 89 ARG H 1.0 . 4.42 718 704 A 89 ARG HDx A 89 ARG H 1.0 . 5.50 719 705 A 89 ARG HDy A 89 ARG H 1.0 . 5.28 720 706 A 89 ARG H A 90 LYS H 1.0 . 3.64 721 707 A 89 ARG H A 91 ARG H 1.0 . 4.99 722 708 A 92 MET H A 89 ARG H 1.0 . 5.50 723 709 A 92 MET HE% A 89 ARG H 1.0 . 6.05 724 710 A 89 ARG HGx A 89 ARG HA 1.0 . 3.32 725 711 A 89 ARG HGy A 89 ARG HA 1.0 . 3.87 726 712 A 89 ARG HDx A 89 ARG HA 1.0 . 4.86 727 713 A 89 ARG HDy A 89 ARG HA 1.0 . 4.76 728 714 A 92 MET H A 89 ARG HA 1.0 . 4.67 729 715 A 92 MET HBx A 89 ARG HA 1.0 . 4.62 730 716 A 92 MET HBy A 89 ARG HA 1.0 . 4.45 731 717 A 92 MET HE% A 89 ARG HA 1.0 . 3.39 732 718 A 89 ARG HA A 124 CYS HBx 1.0 . 4.54 733 719 A 124 CYS HBy A 89 ARG HA 1.0 . 4.28 734 720 A 89 ARG HDy A 89 ARG HBx 1.0 . 3.91 735 721 A 89 ARG HBx A 90 LYS H 1.0 . 3.84 736 722 A 89 ARG HDx A 89 ARG HBy 1.0 . 3.90 737 723 A 89 ARG HBy A 90 LYS H 1.0 . 4.30 738 724 A 89 ARG HGx A 90 LYS H 1.0 . 5.24 739 725 A 92 MET HE% A 89 ARG HGx 1.0 . 3.55 740 726 A 90 LYS H A 90 LYS HBx 1.0 . 3.30 741 727 A 90 LYS H A 90 LYS HBy 1.0 . 3.67 742 728 A 90 LYS H A 90 LYS HGx 1.0 . 4.89 743 729 A 90 LYS H A 90 LYS HGy 1.0 . 4.41 744 730 A 90 LYS H A 91 ARG H 1.0 . 4.00 745 731 A 92 MET H A 90 LYS H 1.0 . 4.72 746 732 A 93 GLN HBx A 90 LYS H 1.0 . 6.22 747 733 A 90 LYS HA A 90 LYS HGx 1.0 . 4.23 748 734 A 90 LYS HA A 90 LYS HGy 1.0 . 3.93 749 735 A 90 LYS HA A 93 GLN H 1.0 . 4.12 750 736 A 90 LYS HA A 94 ILE H 1.0 . 5.49 751 737 A 90 LYS HA A 94 ILE HG1y 1.0 . 4.55 752 738 A 90 LYS HBx A 91 ARG H 1.0 . 4.35 753 739 A 90 LYS HBy A 91 ARG H 1.0 . 4.17 754 740 A 90 LYS HBy A 94 ILE HD1% 1.0 . 5.50 755 741 A 90 LYS HGx A 94 ILE HD1% 1.0 . 5.37 756 742 A 91 ARG H A 90 LYS HGy 1.0 . 5.20 757 743 A 90 LYS HGy A 94 ILE HG1y 1.0 . 2.99 758 744 A 90 LYS HGy A 94 ILE HD1% 1.0 . 5.04 759 745 A 94 ILE HG1y A 90 LYS HE2 1.0 . 4.10 760 746 A 94 ILE HD1% A 90 LYS HE2 1.0 . 5.60 761 747 A 93 GLN HGy A 90 LYS HE3 1.0 . 4.17 762 748 A 91 ARG H A 91 ARG HGx 1.0 . 4.06 763 749 A 91 ARG H A 91 ARG HGy 1.0 . 3.40 764 750 A 91 ARG H A 91 ARG HD2 1.0 . 4.67 765 751 A 92 MET H A 91 ARG H 1.0 . 4.12 766 752 A 91 ARG H A 94 ILE HD1% 1.0 . 5.85 767 753 A 91 ARG HGx A 91 ARG HA 1.0 . 3.59 768 754 A 91 ARG HGy A 91 ARG HA 1.0 . 3.18 769 755 A 91 ARG HD3 A 91 ARG HA 1.0 . 4.46 770 756 A 93 GLN H A 91 ARG HA 1.0 . 5.22 771 757 A 94 ILE H A 91 ARG HA 1.0 . 4.05 772 758 A 91 ARG HA A 94 ILE HB 1.0 . 3.87 773 759 A 91 ARG HA A 94 ILE HG2% 1.0 . 5.38 774 760 A 94 ILE HD1% A 91 ARG HA 1.0 . 4.81 775 761 A 91 ARG HBx A 92 MET H 1.0 . 4.97 776 762 A 91 ARG HBy A 91 ARG HD3 1.0 . 3.69 777 763 A 91 ARG HBy A 92 MET H 1.0 . 4.26 778 764 A 94 ILE HD1% A 91 ARG HGx 1.0 . 6.00 779 765 A 91 ARG HGy A 94 ILE HD1% 1.0 . 5.79 780 766 A 92 MET H A 92 MET HGx 1.0 . 5.00 781 767 A 92 MET HA A 92 MET HGy 1.0 . 3.56 782 768 A 92 MET HA A 95 ASN H 1.0 . 4.12 783 769 A 92 MET HA A 95 ASN HBx 1.0 . 4.00 784 770 A 92 MET HA A 95 ASN HBy 1.0 . 4.50 785 771 A 92 MET HA A 95 ASN HD2x 1.0 . 4.49 786 772 A 92 MET HA A 95 ASN HD2y 1.0 . 4.51 787 773 A 96 ALA H A 92 MET HA 1.0 . 5.28 788 774 A 92 MET HE% A 92 MET HBy 1.0 . 3.19 789 775 A 92 MET HE% A 92 MET HGy 1.0 . 3.13 790 776 A 104 VAL HGx% A 92 MET HGy 1.0 . 4.87 791 777 A 125 ILE HA A 92 MET HGy 1.0 . 5.70 792 778 A 126 GLY H A 92 MET HGy 1.0 . 5.25 793 779 A 93 GLN H A 92 MET HGx 1.0 . 5.00 794 780 A 92 MET HE% A 93 GLN H 1.0 . 4.97 795 781 A 104 VAL HB A 92 MET HE% 1.0 . 5.10 796 782 A 104 VAL HGx% A 92 MET HE% 1.0 . 4.60 797 783 A 104 VAL HGy% A 92 MET HE% 1.0 . 5.60 798 784 A 92 MET HE% A 124 CYS HA 1.0 . 6.04 799 785 A 92 MET HE% A 124 CYS HBx 1.0 . 4.69 800 786 A 92 MET HE% A 124 CYS HBy 1.0 . 3.87 801 787 A 93 GLN HBx A 93 GLN H 1.0 . 4.06 802 788 A 93 GLN HBy A 93 GLN H 1.0 . 3.62 803 789 A 93 GLN HGx A 93 GLN H 1.0 . 4.50 804 790 A 93 GLN HGy A 93 GLN H 1.0 . 4.80 805 791 A 93 GLN H A 94 ILE H 1.0 . 4.16 806 792 A 93 GLN H A 94 ILE HD1% 1.0 . 6.54 807 793 A 93 GLN H A 95 ASN H 1.0 . 4.80 808 794 A 96 ALA HB% A 93 GLN H 1.0 . 6.53 809 795 A 93 GLN HGx A 93 GLN HA 1.0 . 3.98 810 796 A 93 GLN HGy A 93 GLN HA 1.0 . 3.81 811 797 A 93 GLN HA A 96 ALA H 1.0 . 4.19 812 798 A 96 ALA HB% A 93 GLN HA 1.0 . 4.65 813 799 A 93 GLN HA A 104 VAL HGy% 1.0 . 4.99 814 800 A 93 GLN HBx A 94 ILE H 1.0 . 4.50 815 801 A 93 GLN HBy A 94 ILE H 1.0 . 4.29 816 802 A 93 GLN HBy A 94 ILE HA 1.0 . 4.82 817 803 A 93 GLN HBy A 96 ALA H 1.0 . 5.50 818 804 A 93 GLN HGy A 104 VAL HGy% 1.0 . 5.62 819 805 A 94 ILE H A 94 ILE HB 1.0 . 3.59 820 806 A 94 ILE H A 94 ILE HG1x 1.0 . 4.29 821 807 A 94 ILE H A 94 ILE HG1y 1.0 . 3.82 822 808 A 94 ILE H A 94 ILE HD1% 1.0 . 5.28 823 809 A 94 ILE H A 95 ASN H 1.0 . 4.13 824 810 A 94 ILE HA A 94 ILE HG1x 1.0 . 3.61 825 811 A 94 ILE HG1y A 94 ILE HA 1.0 . 3.73 826 812 A 96 ALA HB% A 94 ILE HA 1.0 . 6.28 827 813 A 97 SER H A 94 ILE HA 1.0 . 4.44 828 814 A 97 SER HBx A 94 ILE HA 1.0 . 4.20 829 815 A 97 SER HBy A 94 ILE HA 1.0 . 3.94 830 816 A 94 ILE HB A 95 ASN H 1.0 . 3.86 831 817 A 94 ILE HG2% A 95 ASN H 1.0 . 5.14 832 818 A 94 ILE HG2% A 95 ASN HA 1.0 . 4.96 833 819 A 97 SER HBy A 94 ILE HG2% 1.0 . 5.67 834 820 A 94 ILE HG2% A 98 LYS H 1.0 . 6.54 835 821 A 94 ILE HG2% A 98 LYS HBy 1.0 . 5.57 836 822 A 95 ASN H A 94 ILE HG1x 1.0 . 5.50 837 823 A 94 ILE HG1y A 95 ASN H 1.0 . 4.88 838 824 A 95 ASN HBx A 95 ASN H 1.0 . 3.89 839 825 A 95 ASN HBy A 95 ASN H 1.0 . 3.85 840 826 A 95 ASN HD2x A 95 ASN H 1.0 . 5.50 841 827 A 95 ASN H A 98 LYS H 1.0 . 5.50 842 828 A 97 SER H A 95 ASN HA 1.0 . 5.50 843 829 A 95 ASN HA A 98 LYS H 1.0 . 4.20 844 830 A 95 ASN HA A 98 LYS HBy 1.0 . 4.50 845 831 A 95 ASN HA A 98 LYS HGy 1.0 . 3.60 846 832 A 95 ASN HA A 98 LYS HGx 1.0 . 4.66 847 833 A 95 ASN HBx A 95 ASN HD2y 1.0 . 4.06 848 834 A 96 ALA H A 95 ASN HBx 1.0 . 4.51 849 835 A 96 ALA HA A 95 ASN HBx 1.0 . 4.73 850 836 A 95 ASN HBy A 95 ASN HD2y 1.0 . 3.96 851 837 A 96 ALA H A 95 ASN HBy 1.0 . 4.25 852 838 A 97 SER H A 96 ALA H 1.0 . 3.84 853 839 A 96 ALA H A 98 LYS H 1.0 . 5.23 854 840 A 96 ALA H A 98 LYS HGy 1.0 . 5.50 855 841 A 96 ALA H A 99 MET H 1.0 . 5.50 856 842 A 104 VAL HGy% A 96 ALA H 1.0 . 5.97 857 843 A 96 ALA HA A 99 MET H 1.0 . 4.34 858 844 A 99 MET HBx A 96 ALA HA 1.0 . 3.95 859 845 A 99 MET HBy A 96 ALA HA 1.0 . 4.50 860 846 A 96 ALA HA A 99 MET HG3 1.0 . 4.01 861 847 A 99 MET HE% A 96 ALA HA 1.0 . 4.29 862 848 A 101 ALA HB% A 96 ALA HA 1.0 . 4.92 863 849 A 96 ALA HB% A 97 SER HA 1.0 . 5.53 864 850 A 97 SER HBx A 96 ALA HB% 1.0 . 6.03 865 851 A 97 SER HBy A 96 ALA HB% 1.0 . 5.78 866 852 A 96 ALA HB% A 99 MET H 1.0 . 6.24 867 853 A 96 ALA HB% A 101 ALA HB% 1.0 . 5.48 868 854 A 96 ALA HB% A 104 VAL H 1.0 . 5.76 869 855 A 96 ALA HB% A 104 VAL HA 1.0 . 5.55 870 856 A 96 ALA HB% A 104 VAL HB 1.0 . 5.45 871 857 A 96 ALA HB% A 104 VAL HGx% 1.0 . 5.94 872 858 A 96 ALA HB% A 104 VAL HGy% 1.0 . 5.16 873 859 A 97 SER HBx A 97 SER H 1.0 . 3.66 874 860 A 97 SER HBy A 97 SER H 1.0 . 3.68 875 861 A 97 SER H A 98 LYS H 1.0 . 4.08 876 862 A 97 SER H A 99 MET H 1.0 . 5.45 877 863 A 97 SER H A 101 ALA H 1.0 . 5.50 878 864 A 97 SER HA A 100 LYS H 1.0 . 4.47 879 865 A 97 SER HA A 101 ALA H 1.0 . 4.18 880 866 A 97 SER HA A 101 ALA HB% 1.0 . 5.55 881 867 A 97 SER HBx A 98 LYS H 1.0 . 4.36 882 868 A 97 SER HBy A 98 LYS H 1.0 . 4.54 883 869 A 98 LYS H A 98 LYS HBy 1.0 . 3.53 884 870 A 98 LYS H A 98 LYS HGy 1.0 . 3.76 885 871 A 98 LYS H A 98 LYS HGx 1.0 . 4.34 886 872 A 98 LYS H A 98 LYS HE3 1.0 . 5.50 887 873 A 98 LYS H A 99 MET H 1.0 . 3.98 888 874 A 100 LYS H A 98 LYS HA 1.0 . 4.34 889 875 A 98 LYS HBy A 99 MET H 1.0 . 4.17 890 876 A 98 LYS HGy A 98 LYS HE3 1.0 . 3.50 891 877 A 98 LYS HGy A 99 MET H 1.0 . 5.16 892 878 A 98 LYS HGx A 98 LYS HE3 1.0 . 3.72 893 879 A 98 LYS HGx A 99 MET H 1.0 . 5.32 894 880 A 99 MET HBy A 98 LYS HE3 1.0 . 5.23 895 881 A 99 MET HBx A 99 MET H 1.0 . 3.80 896 882 A 99 MET H A 99 MET HG3 1.0 . 3.57 897 883 A 99 MET HE% A 99 MET H 1.0 . 5.60 898 884 A 100 LYS H A 99 MET H 1.0 . 3.60 899 885 A 99 MET HA A 99 MET HG2 1.0 . 3.23 900 886 A 99 MET HE% A 99 MET HA 1.0 . 5.33 901 887 A 99 MET HE% A 99 MET HBx 1.0 . 3.39 902 888 A 99 MET HBx A 101 ALA H 1.0 . 4.63 903 889 A 99 MET HBx A 101 ALA HB% 1.0 . 5.18 904 890 A 99 MET HE% A 99 MET HBy 1.0 . 3.90 905 891 A 99 MET HBy A 101 ALA H 1.0 . 5.17 906 892 A 99 MET HBy A 101 ALA HB% 1.0 . 5.20 907 893 A 128 ALA HB% A 99 MET HBy 1.0 . 5.16 908 894 A 100 LYS H A 99 MET HG3 1.0 . 5.62 909 895 A 101 ALA H A 99 MET HG3 1.0 . 5.50 910 896 A 128 ALA HB% A 99 MET HG3 1.0 . 5.44 911 897 A 99 MET HE% A 101 ALA H 1.0 . 5.65 912 898 A 99 MET HE% A 128 ALA H 1.0 . 4.55 913 899 A 99 MET HE% A 128 ALA HB% 1.0 . 4.05 914 900 A 100 LYS H A 101 ALA H 1.0 . 3.77 915 901 A 101 ALA H A 100 LYS HG2 1.0 . 5.71 916 901 A 100 LYS HG3 A 101 ALA H 1.0 . 5.71 917 902 A 101 ALA HA A 102 ASN H 1.0 . 3.29 918 903 A 103 ALA H A 101 ALA HA 1.0 . 5.00 919 904 A 130 ASN H A 101 ALA HA 1.0 . 4.79 920 905 A 130 ASN HA A 101 ALA HA 1.0 . 3.98 921 906 A 130 ASN HBx A 101 ALA HA 1.0 . 4.23 922 907 A 130 ASN HBy A 101 ALA HA 1.0 . 4.51 923 908 A 103 ALA H A 101 ALA HB% 1.0 . 4.55 924 909 A 101 ALA HB% A 128 ALA HA 1.0 . 4.74 925 910 A 128 ALA HB% A 101 ALA HB% 1.0 . 4.88 926 911 A 101 ALA HB% A 129 LEU H 1.0 . 4.64 927 912 A 130 ASN HA A 101 ALA HB% 1.0 . 5.43 928 913 A 130 ASN HBx A 101 ALA HB% 1.0 . 5.37 929 914 A 103 ALA H A 102 ASN H 1.0 . 3.66 930 915 A 130 ASN H A 102 ASN H 1.0 . 4.96 931 916 A 130 ASN HA A 102 ASN H 1.0 . 3.66 932 917 A 130 ASN HBx A 102 ASN H 1.0 . 5.50 933 918 A 131 ILE H A 102 ASN H 1.0 . 5.06 934 919 A 102 ASN HA A 102 ASN HD2x 1.0 . 4.65 935 920 A 103 ALA H A 102 ASN HBx 1.0 . 5.50 936 921 A 131 ILE H A 102 ASN HBy 1.0 . 5.50 937 922 A 130 ASN HA A 102 ASN HD2y 1.0 . 4.49 938 923 A 131 ILE H A 102 ASN HD2y 1.0 . 4.07 939 924 A 131 ILE HB A 102 ASN HD2y 1.0 . 4.19 940 925 A 103 ALA H A 104 VAL H 1.0 . 4.36 941 926 A 103 ALA H A 128 ALA HA 1.0 . 4.50 942 927 A 103 ALA H A 129 LEU H 1.0 . 4.98 943 928 A 103 ALA H A 130 ASN HA 1.0 . 4.66 944 929 A 103 ALA HA A 104 VAL H 1.0 . 3.24 945 930 A 104 VAL H A 103 ALA HB% 1.0 . 4.31 946 931 A 103 ALA HB% A 129 LEU HBx 1.0 . 5.90 947 932 A 103 ALA HB% A 129 LEU HDy% 1.0 . 5.64 948 933 A 103 ALA HB% A 130 ASN HA 1.0 . 5.15 949 934 A 103 ALA HB% A 131 ILE H 1.0 . 5.26 950 935 A 103 ALA HB% A 131 ILE HB 1.0 . 4.90 951 936 A 103 ALA HB% A 131 ILE HG12 1.0 . 5.01 952 936 A 103 ALA HB% A 131 ILE HG13 1.0 . 5.01 953 937 A 103 ALA HB% A 131 ILE HD1% 1.0 . 5.12 954 938 A 104 VAL H A 104 VAL HB 1.0 . 3.80 955 939 A 104 VAL HGy% A 104 VAL H 1.0 . 4.62 956 940 A 104 VAL H A 129 LEU HDy% 1.0 . 6.52 957 941 A 104 VAL HA A 105 LEU H 1.0 . 3.07 958 942 A 128 ALA HA A 104 VAL HA 1.0 . 3.59 959 943 A 104 VAL HA A 129 LEU H 1.0 . 4.55 960 944 A 129 LEU HDy% A 104 VAL HA 1.0 . 5.35 961 945 A 104 VAL HGx% A 105 LEU H 1.0 . 4.49 962 946 A 104 VAL HGx% A 126 GLY HAx 1.0 . 4.62 963 947 A 104 VAL HGx% A 126 GLY HAy 1.0 . 5.10 964 948 A 104 VAL HGx% A 127 SER H 1.0 . 5.33 965 949 A 104 VAL HGx% A 128 ALA HA 1.0 . 5.42 966 950 A 104 VAL HGy% A 128 ALA HA 1.0 . 4.61 967 951 A 105 LEU HBx A 105 LEU H 1.0 . 4.10 968 952 A 105 LEU HBy A 105 LEU H 1.0 . 3.92 969 953 A 105 LEU H A 105 LEU HG 1.0 . 4.49 970 954 A 105 LEU HDx% A 105 LEU H 1.0 . 5.94 971 955 A 105 LEU HDy% A 105 LEU H 1.0 . 5.33 972 956 A 105 LEU H A 127 SER H 1.0 . 4.46 973 957 A 105 LEU H A 127 SER HBx 1.0 . 4.54 974 958 A 105 LEU H A 127 SER HBy 1.0 . 5.48 975 959 A 128 ALA HA A 105 LEU H 1.0 . 5.09 976 960 A 129 LEU HDy% A 105 LEU H 1.0 . 5.89 977 961 A 105 LEU HA A 105 LEU HDx% 1.0 . 4.38 978 962 A 105 LEU HA A 105 LEU HDy% 1.0 . 5.42 979 963 A 106 LEU H A 105 LEU HA 1.0 . 3.55 980 964 A 105 LEU HA A 127 SER HBx 1.0 . 5.00 981 965 A 105 LEU HBx A 127 SER H 1.0 . 5.10 982 966 A 105 LEU HBx A 127 SER HBx 1.0 . 4.40 983 967 A 105 LEU HBx A 127 SER HBy 1.0 . 4.87 984 968 A 105 LEU HBx A 129 LEU HG 1.0 . 4.67 985 969 A 105 LEU HBx A 129 LEU HDy% 1.0 . 4.88 986 970 A 106 LEU H A 105 LEU HBy 1.0 . 5.30 987 971 A 105 LEU HBy A 127 SER H 1.0 . 4.59 988 972 A 105 LEU HBy A 127 SER HBx 1.0 . 4.00 989 973 A 105 LEU HBy A 127 SER HBy 1.0 . 4.32 990 974 A 105 LEU HBy A 129 LEU HDy% 1.0 . 5.16 991 975 A 105 LEU HG A 107 HIS HE1 1.0 . 3.65 992 976 A 106 LEU H A 105 LEU HDx% 1.0 . 4.71 993 977 A 105 LEU HDy% A 107 HIS HE1 1.0 . 4.26 994 978 A 105 LEU HDy% A 127 SER H 1.0 . 5.82 995 979 A 105 LEU HDy% A 127 SER HBx 1.0 . 5.60 996 980 A 105 LEU HDy% A 127 SER HBy 1.0 . 5.82 997 981 A 105 LEU HDy% A 129 LEU HDy% 1.0 . 6.31 998 982 A 106 LEU H A 106 LEU HBx 1.0 . 3.86 999 983 A 106 LEU H A 106 LEU HBy 1.0 . 3.82 1000 984 A 106 LEU H A 106 LEU HG 1.0 . 4.79 1001 985 A 106 LEU H A 106 LEU HDx% 1.0 . 5.43 1002 986 A 106 LEU H A 106 LEU HDy% 1.0 . 5.67 1003 987 A 106 LEU H A 107 HIS H 1.0 . 5.50 1004 988 A 106 LEU HA A 106 LEU HDx% 1.0 . 4.32 1005 989 A 106 LEU HA A 106 LEU HDy% 1.0 . 5.38 1006 990 A 106 LEU HA A 107 HIS H 1.0 . 3.24 1007 991 A 106 LEU HA A 126 GLY HAx 1.0 . 3.72 1008 992 A 106 LEU HA A 126 GLY HAy 1.0 . 3.96 1009 993 A 106 LEU HBx A 107 HIS H 1.0 . 5.37 1010 994 A 106 LEU HG A 107 HIS H 1.0 . 4.57 1011 995 A 106 LEU HDx% A 107 HIS H 1.0 . 4.67 1012 996 A 106 LEU HDx% A 124 CYS HA 1.0 . 5.27 1013 997 A 106 LEU HDx% A 124 CYS HBx 1.0 . 5.48 1014 998 A 106 LEU HDx% A 124 CYS HBy 1.0 . 4.62 1015 999 A 107 HIS H A 107 HIS HD2 1.0 . 5.50 1016 1000 A 107 HIS H A 108 SER H 1.0 . 3.81 1017 1001 A 125 ILE H A 107 HIS H 1.0 . 5.50 1018 1002 A 107 HIS H A 125 ILE HB 1.0 . 5.39 1019 1003 A 125 ILE HG2% A 107 HIS H 1.0 . 5.60 1020 1004 A 126 GLY H A 107 HIS H 1.0 . 5.50 1021 1005 A 126 GLY HAx A 107 HIS H 1.0 . 4.00 1022 1006 A 126 GLY HAy A 107 HIS H 1.0 . 3.75 1023 1007 A 127 SER H A 107 HIS H 1.0 . 5.50 1024 1008 A 107 HIS HD2 A 107 HIS HBx 1.0 . 3.51 1025 1009 A 108 SER H A 107 HIS HBx 1.0 . 4.10 1026 1010 A 125 ILE HB A 107 HIS HBx 1.0 . 4.56 1027 1011 A 125 ILE HG2% A 107 HIS HBx 1.0 . 5.03 1028 1012 A 108 SER H A 107 HIS HBy 1.0 . 3.84 1029 1013 A 125 ILE HB A 107 HIS HBy 1.0 . 4.89 1030 1014 A 125 ILE HG2% A 107 HIS HBy 1.0 . 5.54 1031 1015 A 125 ILE HG2% A 107 HIS HD2 1.0 . 4.51 1032 1016 A 126 GLY HAy A 107 HIS HD2 1.0 . 3.50 1033 1017 A 127 SER H A 107 HIS HD2 1.0 . 5.36 1034 1018 A 108 SER H A 109 CYS H 1.0 . 5.23 1035 1019 A 124 CYS HA A 108 SER H 1.0 . 5.16 1036 1020 A 125 ILE H A 108 SER H 1.0 . 4.39 1037 1021 A 108 SER H A 125 ILE HB 1.0 . 4.63 1038 1022 A 125 ILE HG2% A 108 SER H 1.0 . 5.78 1039 1023 A 125 ILE HG1y A 108 SER H 1.0 . 5.70 1040 1024 A 109 CYS H A 108 SER HA 1.0 . 3.46 1041 1025 A 125 ILE H A 108 SER HA 1.0 . 5.50 1042 1026 A 109 CYS H A 108 SER HBx 1.0 . 4.16 1043 1027 A 109 CYS H A 108 SER HBy 1.0 . 4.61 1044 1028 A 125 ILE H A 109 CYS H 1.0 . 5.50 1045 1029 A 109 CYS HA A 110 GLU H 1.0 . 3.22 1046 1030 A 124 CYS H A 109 CYS HA 1.0 . 4.87 1047 1031 A 124 CYS HBy A 109 CYS HA 1.0 . 4.61 1048 1032 A 125 ILE H A 109 CYS HA 1.0 . 4.11 1049 1033 A 109 CYS HBx A 110 GLU H 1.0 . 4.71 1050 1034 A 109 CYS HBx A 124 CYS HA 1.0 . 4.65 1051 1035 A 109 CYS HBy A 110 GLU H 1.0 . 4.91 1052 1036 A 110 GLU H A 110 GLU HGy 1.0 . 4.60 1053 1037 A 122 ALA HA A 110 GLU H 1.0 . 5.42 1054 1038 A 123 VAL H A 110 GLU H 1.0 . 4.13 1055 1039 A 123 VAL HGx% A 110 GLU H 1.0 . 5.65 1056 1040 A 124 CYS HA A 110 GLU H 1.0 . 4.36 1057 1041 A 125 ILE H A 110 GLU H 1.0 . 4.64 1058 1042 A 110 GLU HGy A 110 GLU HA 1.0 . 4.28 1059 1043 A 110 GLU HBx A 111 VAL H 1.0 . 4.80 1060 1044 A 111 VAL H A 110 GLU HBy 1.0 . 4.20 1061 1045 A 123 VAL HGx% A 110 GLU HBy 1.0 . 5.60 1062 1046 A 123 VAL HGy% A 110 GLU HBy 1.0 . 6.60 1063 1047 A 123 VAL HGx% A 110 GLU HGy 1.0 . 6.60 1064 1048 A 111 VAL HB A 111 VAL H 1.0 . 3.72 1065 1049 A 111 VAL HGx% A 111 VAL H 1.0 . 4.77 1066 1050 A 111 VAL H A 112 THR H 1.0 . 5.14 1067 1051 A 112 THR H A 111 VAL HA 1.0 . 3.32 1068 1052 A 122 ALA HA A 111 VAL HA 1.0 . 3.28 1069 1053 A 122 ALA HB% A 111 VAL HA 1.0 . 5.15 1070 1054 A 123 VAL H A 111 VAL HA 1.0 . 4.13 1071 1055 A 111 VAL HB A 112 THR H 1.0 . 5.33 1072 1056 A 122 ALA HA A 111 VAL HB 1.0 . 4.58 1073 1057 A 111 VAL HGx% A 112 THR H 1.0 . 5.43 1074 1058 A 120 ARG HGy A 111 VAL HGx% 1.0 . 6.60 1075 1059 A 122 ALA HA A 111 VAL HGx% 1.0 . 4.69 1076 1060 A 122 ALA HB% A 111 VAL HGx% 1.0 . 5.81 1077 1061 A 123 VAL H A 111 VAL HGx% 1.0 . 5.80 1078 1062 A 111 VAL HGy% A 112 THR H 1.0 . 4.80 1079 1063 A 111 VAL HGy% A 120 ARG HA 1.0 . 5.64 1080 1064 A 120 ARG HB3 A 111 VAL HGy% 1.0 . 5.90 1081 1065 A 111 VAL HGy% A 120 ARG HGx 1.0 . 5.76 1082 1066 A 111 VAL HGy% A 120 ARG HGy 1.0 . 4.69 1083 1067 A 111 VAL HGy% A 120 ARG HDx 1.0 . 4.89 1084 1068 A 111 VAL HGy% A 120 ARG HDy 1.0 . 5.22 1085 1069 A 111 VAL HGy% A 121 GLN H 1.0 . 5.01 1086 1070 A 111 VAL HGy% A 122 ALA HA 1.0 . 5.28 1087 1071 A 122 ALA HB% A 111 VAL HGy% 1.0 . 5.91 1088 1072 A 112 THR H A 112 THR HG2% 1.0 . 4.59 1089 1073 A 112 THR H A 120 ARG HA 1.0 . 5.44 1090 1074 A 112 THR H A 121 GLN H 1.0 . 4.17 1091 1075 A 121 GLN HBx A 112 THR H 1.0 . 5.50 1092 1076 A 112 THR H A 121 GLN HBy 1.0 . 5.40 1093 1077 A 122 ALA HA A 112 THR H 1.0 . 4.18 1094 1078 A 121 GLN H A 112 THR HB 1.0 . 5.70 1095 1079 A 121 GLN HBy A 112 THR HB 1.0 . 5.04 1096 1080 A 120 ARG HDy A 112 THR HG2% 1.0 . 6.54 1097 1081 A 121 GLN H A 112 THR HG2% 1.0 . 5.54 1098 1082 A 121 GLN HBx A 112 THR HG2% 1.0 . 5.70 1099 1083 A 112 THR HG2% A 121 GLN HBy 1.0 . 4.75 1100 1084 A 122 ALA HA A 112 THR HG2% 1.0 . 6.21 1101 1085 A 123 VAL HGy% A 112 THR HG2% 1.0 . 6.60 1102 1086 A 120 ARG HA A 113 SER HA 1.0 . 3.61 1103 1087 A 120 ARG HDy A 113 SER HA 1.0 . 4.28 1104 1088 A 121 GLN H A 113 SER HA 1.0 . 4.28 1105 1089 A 113 SER HBx A 114 GLY H 1.0 . 4.91 1106 1090 A 120 ARG HGx A 113 SER HBx 1.0 . 4.74 1107 1091 A 120 ARG HDx A 113 SER HBx 1.0 . 4.62 1108 1092 A 120 ARG HDy A 113 SER HBx 1.0 . 4.53 1109 1093 A 120 ARG HA A 114 GLY H 1.0 . 4.48 1110 1094 A 121 GLN H A 114 GLY H 1.0 . 5.21 1111 1095 A 115 THR H A 115 THR HB 1.0 . 3.82 1112 1096 A 115 THR H A 116 PRO HDx 1.0 . 5.50 1113 1097 A 118 CYS H A 115 THR H 1.0 . 5.26 1114 1098 A 115 THR H A 118 CYS HBx 1.0 . 5.90 1115 1099 A 116 PRO HDx A 115 THR HA 1.0 . 3.00 1116 1100 A 115 THR HA A 116 PRO HDy 1.0 . 3.30 1117 1101 A 115 THR HB A 116 PRO HDx 1.0 . 4.23 1118 1102 A 115 THR HB A 116 PRO HDy 1.0 . 4.77 1119 1103 A 115 THR HB A 118 CYS HBx 1.0 . 4.80 1120 1104 A 115 THR HB A 118 CYS HBy 1.0 . 4.33 1121 1105 A 116 PRO HDx A 115 THR HG2% 1.0 . 4.84 1122 1106 A 116 PRO HDy A 115 THR HG2% 1.0 . 5.10 1123 1107 A 118 CYS H A 115 THR HG2% 1.0 . 5.72 1124 1108 A 118 CYS H A 117 GLY H 1.0 . 4.15 1125 1109 A 118 CYS H A 118 CYS HBx 1.0 . 4.07 1126 1110 A 118 CYS H A 119 TYR H 1.0 . 5.47 1127 1111 A 118 CYS HA A 119 TYR H 1.0 . 3.51 1128 1112 A 118 CYS HA A 119 TYR HBx 1.0 . 4.90 1129 1113 A 118 CYS HA A 119 TYR HBy 1.0 . 4.58 1130 1114 A 120 ARG H A 118 CYS HA 1.0 . 5.00 1131 1115 A 121 GLN HBx A 118 CYS HBx 1.0 . 4.50 1132 1116 A 121 GLN HBy A 118 CYS HBx 1.0 . 4.50 1133 1117 A 119 TYR H A 118 CYS HBy 1.0 . 5.27 1134 1118 A 120 ARG H A 118 CYS HBy 1.0 . 4.64 1135 1119 A 121 GLN HBx A 118 CYS HBy 1.0 . 4.19 1136 1120 A 121 GLN HBy A 118 CYS HBy 1.0 . 4.38 1137 1121 A 119 TYR H A 119 TYR HBx 1.0 . 3.98 1138 1122 A 119 TYR H A 119 TYR HBy 1.0 . 4.02 1139 1123 A 120 ARG H A 119 TYR H 1.0 . 4.05 1140 1124 A 120 ARG H A 119 TYR HBx 1.0 . 3.89 1141 1125 A 120 ARG H A 119 TYR HBy 1.0 . 4.36 1142 1126 A 120 ARG H A 119 TYR HD% 1.0 . 7.04 1143 1127 A 120 ARG H A 119 TYR HE% 1.0 . 7.70 1144 1128 A 120 ARG H A 120 ARG HGx 1.0 . 5.19 1145 1129 A 120 ARG HGy A 120 ARG HA 1.0 . 3.79 1146 1130 A 120 ARG HA A 120 ARG HDx 1.0 . 4.47 1147 1131 A 120 ARG HA A 120 ARG HDy 1.0 . 4.10 1148 1132 A 120 ARG HA A 121 GLN H 1.0 . 3.52 1149 1133 A 120 ARG HB3 A 121 GLN H 1.0 . 4.59 1150 1134 A 120 ARG HDy A 121 GLN H 1.0 . 5.17 1151 1135 A 121 GLN H A 121 GLN HBy 1.0 . 4.09 1152 1136 A 122 ALA H A 121 GLN H 1.0 . 5.40 1153 1137 A 122 ALA H A 121 GLN HA 1.0 . 3.31 1154 1138 A 122 ALA H A 121 GLN HBx 1.0 . 4.89 1155 1139 A 123 VAL HGy% A 121 GLN HE2x 1.0 . 5.71 1156 1140 A 122 ALA H A 123 VAL H 1.0 . 4.63 1157 1141 A 123 VAL H A 122 ALA HA 1.0 . 3.12 1158 1142 A 123 VAL H A 123 VAL HB 1.0 . 3.86 1159 1143 A 124 CYS H A 123 VAL HA 1.0 . 3.21 1160 1144 A 124 CYS H A 123 VAL HB 1.0 . 5.06 1161 1145 A 123 VAL HGx% A 124 CYS H 1.0 . 4.78 1162 1146 A 124 CYS H A 124 CYS HBx 1.0 . 4.13 1163 1147 A 125 ILE H A 124 CYS H 1.0 . 4.62 1164 1148 A 125 ILE H A 124 CYS HA 1.0 . 3.25 1165 1149 A 125 ILE H A 124 CYS HBx 1.0 . 4.70 1166 1150 A 125 ILE H A 124 CYS HBy 1.0 . 4.42 1167 1151 A 125 ILE H A 125 ILE HB 1.0 . 3.70 1168 1152 A 125 ILE HG1x A 125 ILE H 1.0 . 4.49 1169 1153 A 125 ILE H A 125 ILE HG1y 1.0 . 4.25 1170 1154 A 125 ILE H A 125 ILE HD1% 1.0 . 5.58 1171 1155 A 125 ILE HA A 125 ILE HG1x 1.0 . 4.02 1172 1156 A 126 GLY H A 125 ILE HA 1.0 . 2.97 1173 1157 A 126 GLY H A 125 ILE HB 1.0 . 4.72 1174 1158 A 125 ILE HG2% A 126 GLY H 1.0 . 4.37 1175 1159 A 126 GLY H A 125 ILE HG1y 1.0 . 5.11 1176 1160 A 126 GLY H A 127 SER H 1.0 . 4.63 1177 1161 A 127 SER H A 127 SER HBx 1.0 . 3.61 1178 1162 A 128 ALA H A 127 SER HA 1.0 . 3.28 1179 1163 A 128 ALA HB% A 127 SER HA 1.0 . 4.98 1180 1164 A 128 ALA H A 127 SER HBx 1.0 . 4.84 1181 1165 A 128 ALA H A 127 SER HBy 1.0 . 4.51 1182 1166 A 128 ALA H A 129 LEU H 1.0 . 5.34 1183 1167 A 128 ALA HA A 129 LEU H 1.0 . 3.02 1184 1168 A 129 LEU HBx A 129 LEU H 1.0 . 4.07 1185 1169 A 129 LEU H A 129 LEU HG 1.0 . 4.60 1186 1170 A 129 LEU HDx% A 129 LEU H 1.0 . 4.66 1187 1171 A 129 LEU HDy% A 129 LEU H 1.0 . 4.86 1188 1172 A 129 LEU HDx% A 129 LEU HA 1.0 . 4.43 1189 1173 A 129 LEU HDy% A 129 LEU HA 1.0 . 5.61 1190 1174 A 130 ASN H A 129 LEU HA 1.0 . 3.10 1191 1175 A 129 LEU HBy A 130 ASN H 1.0 . 3.97 1192 1176 A 129 LEU HBx A 130 ASN H 1.0 . 4.59 1193 1177 A 129 LEU HDx% A 130 ASN H 1.0 . 5.87 1194 1178 A 130 ASN H A 130 ASN HBx 1.0 . 4.13 1195 1179 A 130 ASN H A 130 ASN HBy 1.0 . 3.86 1196 1180 A 131 ILE H A 130 ASN H 1.0 . 5.50 1197 1181 A 131 ILE H A 130 ASN HA 1.0 . 3.17 1198 1182 A 131 ILE H A 130 ASN HBy 1.0 . 5.26 1199 1183 A 131 ILE HB A 131 ILE H 1.0 . 3.76 1200 1184 A 131 ILE H A 131 ILE HG12 1.0 . 5.33 1201 1184 A 131 ILE H A 131 ILE HG13 1.0 . 5.33 1202 1185 A 131 ILE HD1% A 131 ILE H 1.0 . 5.79 1203 1186 A 132 THR H A 131 ILE H 1.0 . 5.37 1204 1187 A 131 ILE HA A 132 THR H 1.0 . 3.41 1205 1188 A 132 THR H A 131 ILE HB 1.0 . 4.51 1206 1189 A 131 ILE HG2% A 132 THR H 1.0 . 5.31 1207 1190 A 131 ILE HD1% A 132 THR H 1.0 . 6.60 1208 1191 A 132 THR H A 133 ALA H 1.0 . 4.64 1209 1192 A 132 THR HB A 133 ALA H 1.0 . 4.91 1210 1193 A 132 THR HG2% A 133 ALA H 1.0 . 6.34 1211 1194 A 133 ALA H A 134 LYS H 1.0 . 4.13 1212 1195 A 134 LYS H A 133 ALA HA 1.0 . 4.00 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.restraint_origin undefined _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 74 CYS CB A 118 CYS SG 1.0 . 3.0 2 2 A 74 CYS SG A 118 CYS CB 1.0 . 3.0 3 3 A 118 CYS SG A 74 CYS SG 1.0 . 2.0 4 4 A 109 CYS CB A 124 CYS SG 1.0 . 3.0 5 5 A 109 CYS SG A 124 CYS CB 1.0 . 3.0 6 6 A 124 CYS SG A 109 CYS SG 1.0 . 2.0 7 7 A 74 CYS CB A 118 CYS SG 1.0 . 3.1 8 8 A 74 CYS SG A 118 CYS CB 1.0 . 3.1 9 9 A 118 CYS SG A 74 CYS SG 1.0 . 2.1 10 10 A 109 CYS CB A 124 CYS SG 1.0 . 3.1 11 11 A 109 CYS SG A 124 CYS CB 1.0 . 3.1 12 12 A 124 CYS SG A 109 CYS SG 1.0 . 2.1 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 hbond _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 50 ARG N A 102 ASN O 1.0 . 3.1 2 2 A 50 ARG H A 102 ASN O 1.0 . 2.1 3 3 A 50 ARG O A 104 VAL N 1.0 . 3.1 4 4 A 104 VAL H A 50 ARG O 1.0 . 2.1 5 5 A 52 TYR N A 104 VAL O 1.0 . 3.1 6 6 A 52 TYR H A 104 VAL O 1.0 . 2.1 7 7 A 52 TYR O A 106 LEU N 1.0 . 3.1 8 8 A 106 LEU H A 52 TYR O 1.0 . 2.1 9 9 A 54 ASN O A 57 GLU N 1.0 . 3.1 10 10 A 57 GLU H A 54 ASN O 1.0 . 2.1 11 11 A 55 ALA O A 59 VAL N 1.0 . 3.1 12 12 A 59 VAL H A 55 ALA O 1.0 . 2.1 13 13 A 57 GLU O A 60 GLY N 1.0 . 3.1 14 14 A 60 GLY H A 57 GLU O 1.0 . 2.1 15 15 A 58 LEU O A 61 LYS N 1.0 . 3.1 16 16 A 61 LYS H A 58 LEU O 1.0 . 2.1 17 17 A 62 PRO O A 132 THR N 1.0 . 3.1 18 18 A 132 THR H A 62 PRO O 1.0 . 2.1 19 19 A 64 ARG N A 130 ASN O 1.0 . 3.1 20 20 A 64 ARG H A 130 ASN O 1.0 . 2.1 21 21 A 64 ARG O A 130 ASN N 1.0 . 3.1 22 22 A 130 ASN H A 64 ARG O 1.0 . 2.1 23 23 A 67 GLY N A 128 ALA O 1.0 . 3.1 24 24 A 67 GLY H A 128 ALA O 1.0 . 2.1 25 25 A 67 GLY O A 128 ALA N 1.0 . 3.1 26 26 A 128 ALA H A 67 GLY O 1.0 . 2.1 27 27 A 69 VAL N A 126 GLY O 1.0 . 3.1 28 28 A 69 VAL H A 126 GLY O 1.0 . 2.1 29 29 A 69 VAL O A 126 GLY N 1.0 . 3.1 30 30 A 126 GLY H A 69 VAL O 1.0 . 2.1 31 31 A 71 GLY N A 124 CYS O 1.0 . 3.1 32 32 A 71 GLY H A 124 CYS O 1.0 . 2.1 33 33 A 71 GLY O A 124 CYS N 1.0 . 3.1 34 34 A 124 CYS H A 71 GLY O 1.0 . 2.1 35 35 A 73 SER N A 122 ALA O 1.0 . 3.1 36 36 A 73 SER H A 122 ALA O 1.0 . 2.1 37 37 A 73 SER O A 122 ALA N 1.0 . 3.1 38 38 A 122 ALA H A 73 SER O 1.0 . 2.1 39 39 A 75 GLN N A 120 ARG O 1.0 . 3.1 40 40 A 75 GLN H A 120 ARG O 1.0 . 2.1 41 41 A 75 GLN O A 119 TYR N 1.0 . 3.1 42 42 A 119 TYR H A 75 GLN O 1.0 . 2.1 43 43 A 84 SER O A 88 ALA N 1.0 . 3.1 44 44 A 88 ALA H A 84 SER O 1.0 . 2.1 45 45 A 85 ILE O A 89 ARG N 1.0 . 3.1 46 46 A 89 ARG H A 85 ILE O 1.0 . 2.1 47 47 A 86 PRO O A 90 LYS N 1.0 . 3.1 48 48 A 90 LYS H A 86 PRO O 1.0 . 2.1 49 49 A 87 THR O A 91 ARG N 1.0 . 3.1 50 50 A 91 ARG H A 87 THR O 1.0 . 2.1 51 51 A 88 ALA O A 92 MET N 1.0 . 3.1 52 52 A 92 MET H A 88 ALA O 1.0 . 2.1 53 53 A 89 ARG O A 93 GLN N 1.0 . 3.1 54 54 A 93 GLN H A 89 ARG O 1.0 . 2.1 55 55 A 90 LYS O A 94 ILE N 1.0 . 3.1 56 56 A 94 ILE H A 90 LYS O 1.0 . 2.1 57 57 A 91 ARG O A 95 ASN N 1.0 . 3.1 58 58 A 95 ASN H A 91 ARG O 1.0 . 2.1 59 59 A 92 MET O A 96 ALA N 1.0 . 3.1 60 60 A 96 ALA H A 92 MET O 1.0 . 2.1 61 61 A 93 GLN O A 97 SER N 1.0 . 3.1 62 62 A 97 SER H A 93 GLN O 1.0 . 2.1 63 63 A 94 ILE O A 98 LYS N 1.0 . 3.1 64 64 A 98 LYS H A 94 ILE O 1.0 . 2.1 65 65 A 102 ASN N A 129 LEU O 1.0 . 3.1 66 66 A 102 ASN H A 129 LEU O 1.0 . 2.1 67 67 A 103 ALA O A 129 LEU N 1.0 . 3.1 68 68 A 129 LEU H A 103 ALA O 1.0 . 2.1 69 69 A 105 LEU N A 127 SER O 1.0 . 3.1 70 70 A 105 LEU H A 127 SER O 1.0 . 2.1 71 71 A 105 LEU O A 127 SER N 1.0 . 3.1 72 72 A 127 SER H A 105 LEU O 1.0 . 2.1 73 73 A 107 HIS N A 125 ILE O 1.0 . 3.1 74 74 A 107 HIS H A 125 ILE O 1.0 . 2.1 75 75 A 125 ILE O A 108 SER N 1.0 . 3.1 76 76 A 108 SER H A 125 ILE O 1.0 . 2.1 77 77 A 108 SER O A 125 ILE N 1.0 . 3.1 78 78 A 125 ILE H A 108 SER O 1.0 . 2.1 79 79 A 110 GLU N A 123 VAL O 1.0 . 3.1 80 80 A 110 GLU H A 123 VAL O 1.0 . 2.1 81 81 A 110 GLU O A 123 VAL N 1.0 . 3.1 82 82 A 123 VAL H A 110 GLU O 1.0 . 2.1 83 83 A 112 THR N A 121 GLN O 1.0 . 3.1 84 84 A 112 THR H A 121 GLN O 1.0 . 2.1 85 85 A 112 THR O A 121 GLN N 1.0 . 3.1 86 86 A 121 GLN H A 112 THR O 1.0 . 2.1 87 87 A 114 GLY N A 119 TYR O 1.0 . 3.1 88 88 A 114 GLY H A 119 TYR O 1.0 . 2.1 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 48 PRO N A 48 PRO CA A 48 PRO C A 49 VAL N 1.0 -75.3 41.2 PSI 2 2 A 48 PRO C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -116.7 -36.7 PHI 3 3 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 ARG N 1.0 84.2 168.0 PSI 4 4 A 49 VAL C A 50 ARG N A 50 ARG CA A 50 ARG C 1.0 -126.1 -46.1 PHI 5 5 A 50 ARG N A 50 ARG CA A 50 ARG C A 51 ILE N 1.0 91.4 175.2 PSI 6 6 A 50 ARG C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -141.9 -62.0 PHI 7 7 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 TYR N 1.0 80.8 164.7 PSI 8 8 A 51 ILE C A 52 TYR N A 52 TYR CA A 52 TYR C 1.0 -125.9 -45.9 PHI 9 9 A 52 TYR N A 52 TYR CA A 52 TYR C A 53 THR N 1.0 89.6 173.4 PSI 10 10 A 52 TYR C A 53 THR N A 53 THR CA A 53 THR C 1.0 -132.1 -52.1 PHI 11 11 A 53 THR N A 53 THR CA A 53 THR C A 54 ASN N 1.0 60.4 168.3 PSI 12 12 A 54 ASN C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -90.5 -30.5 PHI 13 13 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 GLU N 1.0 -72.9 -9.0 PSI 14 14 A 55 ALA C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 -72.0 -52.0 PHI 15 15 A 56 GLU N A 56 GLU CA A 56 GLU C A 57 GLU N 1.0 -49.8 -25.8 PSI 16 16 A 56 GLU C A 57 GLU N A 57 GLU CA A 57 GLU C 1.0 -75.0 -55.0 PHI 17 17 A 57 GLU N A 57 GLU CA A 57 GLU C A 58 LEU N 1.0 -43.2 -21.2 PSI 18 18 A 57 GLU C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -75.6 -55.6 PHI 19 19 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 VAL N 1.0 -45.3 -9.3 PSI 20 20 A 58 LEU C A 59 VAL N A 59 VAL CA A 59 VAL C 1.0 -81.9 -41.9 PHI 21 21 A 59 VAL N A 59 VAL CA A 59 VAL C A 60 GLY N 1.0 -49.5 -7.6 PSI 22 22 A 62 PRO C A 63 PHE N A 63 PHE CA A 63 PHE C 1.0 -155.5 -115.5 PHI 23 23 A 63 PHE N A 63 PHE CA A 63 PHE C A 64 ARG N 1.0 132.0 175.9 PSI 24 24 A 63 PHE C A 64 ARG N A 64 ARG CA A 64 ARG C 1.0 -141.7 -101.7 PHI 25 25 A 64 ARG N A 64 ARG CA A 64 ARG C A 65 ASP N 1.0 112.6 156.5 PSI 26 26 A 64 ARG C A 65 ASP N A 65 ASP CA A 65 ASP C 1.0 -113.3 -53.4 PHI 27 27 A 65 ASP N A 65 ASP CA A 65 ASP C A 66 LEU N 1.0 94.3 158.2 PSI 28 28 A 66 LEU C A 67 GLY N A 67 GLY CA A 67 GLY C 1.0 -155.7 -77.1 PHI 29 29 A 67 GLY N A 67 GLY CA A 67 GLY C A 68 GLU N 1.0 121.6 186.7 PSI 30 30 A 67 GLY C A 68 GLU N A 68 GLU CA A 68 GLU C 1.0 -132.7 -72.8 PHI 31 31 A 68 GLU N A 68 GLU CA A 68 GLU C A 69 VAL N 1.0 108.3 172.2 PSI 32 32 A 68 GLU C A 69 VAL N A 69 VAL CA A 69 VAL C 1.0 -154.9 -114.9 PHI 33 33 A 69 VAL N A 69 VAL CA A 69 VAL C A 70 SER N 1.0 138.6 182.5 PSI 34 34 A 69 VAL C A 70 SER N A 70 SER CA A 70 SER C 1.0 -160.1 -110.1 PHI 35 35 A 70 SER N A 70 SER CA A 70 SER C A 71 GLY N 1.0 129.1 173.0 PSI 36 36 A 71 GLY C A 72 ASP N A 72 ASP CA A 72 ASP C 1.0 -173.5 -113.5 PHI 37 37 A 72 ASP N A 72 ASP CA A 72 ASP C A 73 SER N 1.0 124.9 188.8 PSI 38 38 A 72 ASP C A 73 SER N A 73 SER CA A 73 SER C 1.0 -131.0 -71.0 PHI 39 39 A 73 SER N A 73 SER CA A 73 SER C A 74 CYS N 1.0 98.6 162.5 PSI 40 40 A 73 SER C A 74 CYS N A 74 CYS CA A 74 CYS C 1.0 -117.5 -77.1 PHI 41 41 A 74 CYS N A 74 CYS CA A 74 CYS C A 75 GLN N 1.0 117.0 166.3 PSI 42 42 A 74 CYS C A 75 GLN N A 75 GLN CA A 75 GLN C 1.0 -156.9 -116.9 PHI 43 43 A 75 GLN N A 75 GLN CA A 75 GLN C A 76 ALA N 1.0 101.3 145.2 PSI 44 44 A 75 GLN C A 76 ALA N A 76 ALA CA A 76 ALA C 1.0 -78.7 -54.7 PHI 45 45 A 76 ALA N A 76 ALA CA A 76 ALA C A 77 SER N 1.0 -54.3 -22.3 PSI 46 46 A 76 ALA C A 77 SER N A 77 SER CA A 77 SER C 1.0 -156.6 -116.6 PHI 47 47 A 77 SER N A 77 SER CA A 77 SER C A 78 ASN N 1.0 140.6 184.6 PSI 48 48 A 77 SER C A 78 ASN N A 78 ASN CA A 78 ASN C 1.0 -72.2 -52.0 PHI 49 49 A 78 ASN N A 78 ASN CA A 78 ASN C A 79 GLN N 1.0 -50.3 -15.6 PSI 50 50 A 78 ASN C A 79 GLN N A 79 GLN CA A 79 GLN C 1.0 -95.5 -45.5 PHI 51 51 A 79 GLN N A 79 GLN CA A 79 GLN C A 80 ASP N 1.0 -60.4 23.5 PSI 52 52 A 79 GLN C A 80 ASP N A 80 ASP CA A 80 ASP C 1.0 -143.2 -63.2 PHI 53 53 A 80 ASP N A 80 ASP CA A 80 ASP C A 81 SER N 1.0 101.5 185.3 PSI 54 54 A 80 ASP C A 81 SER N A 81 SER CA A 81 SER C 1.0 -146.9 -57.0 PHI 55 55 A 81 SER N A 81 SER CA A 81 SER C A 82 PRO N 1.0 108.7 192.5 PSI 56 56 A 84 SER C A 85 ILE N A 85 ILE CA A 85 ILE C 1.0 -69.7 -49.7 PHI 57 57 A 85 ILE N A 85 ILE CA A 85 ILE C A 86 PRO N 1.0 -55.0 -33.0 PSI 58 58 A 86 PRO N A 86 PRO CA A 86 PRO C A 87 THR N 1.0 -53.5 -28.9 PSI 59 59 A 86 PRO C A 87 THR N A 87 THR CA A 87 THR C 1.0 -73.6 -53.6 PHI 60 60 A 87 THR N A 87 THR CA A 87 THR C A 88 ALA N 1.0 -55.5 -33.5 PSI 61 61 A 87 THR C A 88 ALA N A 88 ALA CA A 88 ALA C 1.0 -70.5 -50.5 PHI 62 62 A 88 ALA N A 88 ALA CA A 88 ALA C A 89 ARG N 1.0 -54.8 -32.9 PSI 63 63 A 88 ALA C A 89 ARG N A 89 ARG CA A 89 ARG C 1.0 -72.7 -52.7 PHI 64 64 A 89 ARG N A 89 ARG CA A 89 ARG C A 90 LYS N 1.0 -55.2 -33.2 PSI 65 65 A 89 ARG C A 90 LYS N A 90 LYS CA A 90 LYS C 1.0 -74.0 -54.0 PHI 66 66 A 90 LYS N A 90 LYS CA A 90 LYS C A 91 ARG N 1.0 -55.0 -33.0 PSI 67 67 A 90 LYS C A 91 ARG N A 91 ARG CA A 91 ARG C 1.0 -76.8 -56.8 PHI 68 68 A 91 ARG N A 91 ARG CA A 91 ARG C A 92 MET N 1.0 -52.3 -30.3 PSI 69 69 A 91 ARG C A 92 MET N A 92 MET CA A 92 MET C 1.0 -72.0 -52.0 PHI 70 70 A 92 MET N A 92 MET CA A 92 MET C A 93 GLN N 1.0 -55.0 -33.0 PSI 71 71 A 92 MET C A 93 GLN N A 93 GLN CA A 93 GLN C 1.0 -73.3 -53.3 PHI 72 72 A 93 GLN N A 93 GLN CA A 93 GLN C A 94 ILE N 1.0 -55.0 -33.1 PSI 73 73 A 93 GLN C A 94 ILE N A 94 ILE CA A 94 ILE C 1.0 -74.3 -54.3 PHI 74 74 A 94 ILE N A 94 ILE CA A 94 ILE C A 95 ASN N 1.0 -50.3 -28.4 PSI 75 75 A 94 ILE C A 95 ASN N A 95 ASN CA A 95 ASN C 1.0 -77.7 -57.7 PHI 76 76 A 95 ASN N A 95 ASN CA A 95 ASN C A 96 ALA N 1.0 -54.1 -32.2 PSI 77 77 A 95 ASN C A 96 ALA N A 96 ALA CA A 96 ALA C 1.0 -72.7 -52.7 PHI 78 78 A 96 ALA N A 96 ALA CA A 96 ALA C A 97 SER N 1.0 -49.2 -27.2 PSI 79 79 A 96 ALA C A 97 SER N A 97 SER CA A 97 SER C 1.0 -82.0 -42.0 PHI 80 80 A 97 SER N A 97 SER CA A 97 SER C A 98 LYS N 1.0 -61.4 -19.5 PSI 81 81 A 97 SER C A 98 LYS N A 98 LYS CA A 98 LYS C 1.0 -92.3 -32.3 PHI 82 82 A 98 LYS N A 98 LYS CA A 98 LYS C A 99 MET N 1.0 -62.9 1.0 PSI 83 83 A 102 ASN C A 103 ALA N A 103 ALA CA A 103 ALA C 1.0 -175.1 -105.1 PHI 84 84 A 103 ALA N A 103 ALA CA A 103 ALA C A 104 VAL N 1.0 89.9 163.8 PSI 85 85 A 103 ALA C A 104 VAL N A 104 VAL CA A 104 VAL C 1.0 -143.1 -103.1 PHI 86 86 A 104 VAL N A 104 VAL CA A 104 VAL C A 105 LEU N 1.0 111.9 155.8 PSI 87 87 A 104 VAL C A 105 LEU N A 105 LEU CA A 105 LEU C 1.0 -112.6 -72.6 PHI 88 88 A 105 LEU N A 105 LEU CA A 105 LEU C A 106 LEU N 1.0 89.0 152.9 PSI 89 89 A 105 LEU C A 106 LEU N A 106 LEU CA A 106 LEU C 1.0 -117.4 -37.4 PHI 90 90 A 106 LEU N A 106 LEU CA A 106 LEU C A 107 HIS N 1.0 97.2 161.0 PSI 91 91 A 106 LEU C A 107 HIS N A 107 HIS CA A 107 HIS C 1.0 -144.4 -74.4 PHI 92 92 A 108 SER C A 109 CYS N A 109 CYS CA A 109 CYS C 1.0 -148.1 -98.1 PHI 93 93 A 109 CYS N A 109 CYS CA A 109 CYS C A 110 GLU N 1.0 94.0 147.9 PSI 94 94 A 109 CYS C A 110 GLU N A 110 GLU CA A 110 GLU C 1.0 -160.3 -100.3 PHI 95 95 A 110 GLU N A 110 GLU CA A 110 GLU C A 111 VAL N 1.0 95.5 179.3 PSI 96 96 A 110 GLU C A 111 VAL N A 111 VAL CA A 111 VAL C 1.0 -138.7 -78.7 PHI 97 97 A 111 VAL N A 111 VAL CA A 111 VAL C A 112 THR N 1.0 87.2 151.0 PSI 98 98 A 111 VAL C A 112 THR N A 112 THR CA A 112 THR C 1.0 -144.9 -85.0 PHI 99 99 A 112 THR N A 112 THR CA A 112 THR C A 113 SER N 1.0 108.3 172.2 PSI 100 100 A 112 THR C A 113 SER N A 113 SER CA A 113 SER C 1.0 -117.8 -57.1 PHI 101 101 A 113 SER N A 113 SER CA A 113 SER C A 114 GLY N 1.0 99.0 170.7 PSI 102 102 A 119 TYR C A 120 ARG N A 120 ARG CA A 120 ARG C 1.0 -132.5 -82.5 PHI 103 103 A 120 ARG N A 120 ARG CA A 120 ARG C A 121 GLN N 1.0 100.6 163.3 PSI 104 104 A 120 ARG C A 121 GLN N A 121 GLN CA A 121 GLN C 1.0 -140.1 -90.1 PHI 105 105 A 121 GLN N A 121 GLN CA A 121 GLN C A 122 ALA N 1.0 100.4 160.3 PSI 106 106 A 121 GLN C A 122 ALA N A 122 ALA CA A 122 ALA C 1.0 -123.8 -83.8 PHI 107 107 A 122 ALA N A 122 ALA CA A 122 ALA C A 123 VAL N 1.0 106.5 150.4 PSI 108 108 A 122 ALA C A 123 VAL N A 123 VAL CA A 123 VAL C 1.0 -122.7 -82.8 PHI 109 109 A 123 VAL N A 123 VAL CA A 123 VAL C A 124 CYS N 1.0 102.0 145.9 PSI 110 110 A 123 VAL C A 124 CYS N A 124 CYS CA A 124 CYS C 1.0 -138.8 -98.8 PHI 111 111 A 124 CYS N A 124 CYS CA A 124 CYS C A 125 ILE N 1.0 120.4 161.3 PSI 112 112 A 124 CYS C A 125 ILE N A 125 ILE CA A 125 ILE C 1.0 -150.4 -90.4 PHI 113 113 A 125 ILE N A 125 ILE CA A 125 ILE C A 126 GLY N 1.0 98.0 161.9 PSI 114 114 A 125 ILE C A 126 GLY N A 126 GLY CA A 126 GLY C 1.0 -163.2 -78.4 PHI 115 115 A 126 GLY N A 126 GLY CA A 126 GLY C A 127 SER N 1.0 82.8 168.3 PSI 116 116 A 126 GLY C A 127 SER N A 127 SER CA A 127 SER C 1.0 -136.0 -56.0 PHI 117 117 A 127 SER N A 127 SER CA A 127 SER C A 128 ALA N 1.0 90.5 174.4 PSI 118 118 A 127 SER C A 128 ALA N A 128 ALA CA A 128 ALA C 1.0 -109.8 -29.9 PHI 119 119 A 128 ALA N A 128 ALA CA A 128 ALA C A 129 LEU N 1.0 99.0 182.9 PSI 120 120 A 128 ALA C A 129 LEU N A 129 LEU CA A 129 LEU C 1.0 -147.8 -87.8 PHI 121 121 A 129 LEU N A 129 LEU CA A 129 LEU C A 130 ASN N 1.0 111.5 175.4 PSI 122 122 A 129 LEU C A 130 ASN N A 130 ASN CA A 130 ASN C 1.0 -147.1 -87.1 PHI 123 123 A 130 ASN N A 130 ASN CA A 130 ASN C A 131 ILE N 1.0 94.0 157.9 PSI 124 124 A 130 ASN C A 131 ILE N A 131 ILE CA A 131 ILE C 1.0 -123.9 -43.9 PHI 125 125 A 131 ILE N A 131 ILE CA A 131 ILE C A 132 THR N 1.0 83.5 167.4 PSI 126 126 A 131 ILE C A 132 THR N A 132 THR CA A 132 THR C 1.0 -104.3 -24.3 PHI 127 127 A 132 THR N A 132 THR CA A 132 THR C A 133 ALA N 1.0 96.9 180.7 PSI 128 128 A 132 THR C A 133 ALA N A 133 ALA CA A 133 ALA C 1.0 -138.0 -38.0 PHI 129 129 A 133 ALA N A 133 ALA CA A 133 ALA C A 134 LYS N 1.0 -70.3 33.5 PSI stop_ save_