data_nef_c15956_2k3g 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 11 CYS SG 1 32 CYS SG 1 13 CYS SG 1 17 CYS SG 1 26 CYS SG 1 50 CYS SG 1 60 CYS SG 1 74 CYS SG 1 75 CYS SG 1 80 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 28 GLY start . false 2 A 29 PRO middle . false 3 A 30 GLU middle . . 4 A 31 ASP middle . . 5 A 32 THR middle . . 6 A 33 LEU middle . . 7 A 34 PRO middle . false 8 A 35 PHE middle . . 9 A 36 LEU middle . . 10 A 37 LYS middle . . 11 A 38 CYS middle -HG . 12 A 39 TYR middle . . 13 A 40 CYS middle -HG . 14 A 41 SER middle . . 15 A 42 GLY middle . false 16 A 43 HIS middle . . 17 A 44 CYS middle -HG . 18 A 45 PRO middle . false 19 A 46 ASP middle . . 20 A 47 ASP middle . . 21 A 48 ALA middle . . 22 A 49 ILE middle . . 23 A 50 ASN middle . . 24 A 51 ASN middle . . 25 A 52 THR middle . . 26 A 53 CYS middle -HG . 27 A 54 ILE middle . . 28 A 55 THR middle . . 29 A 56 ASN middle . . 30 A 57 GLY middle . false 31 A 58 HIS middle . . 32 A 59 CYS middle -HG . 33 A 60 PHE middle . . 34 A 61 ALA middle . . 35 A 62 ILE middle . . 36 A 63 ILE middle . . 37 A 64 GLU middle . . 38 A 65 GLU middle . . 39 A 66 ASP middle . . 40 A 67 ASP middle . . 41 A 68 GLN middle . . 42 A 69 GLY middle . false 43 A 70 GLU middle . . 44 A 71 THR middle . . 45 A 72 THR middle . . 46 A 73 LEU middle . . 47 A 74 ALA middle . . 48 A 75 SER middle . . 49 A 76 GLY middle . false 50 A 77 CYS middle -HG . 51 A 78 MET middle . . 52 A 79 LYS middle . . 53 A 80 TYR middle . . 54 A 81 GLU middle . . 55 A 82 GLY middle . false 56 A 83 SER middle . . 57 A 84 ASP middle . . 58 A 85 PHE middle . . 59 A 86 GLN middle . . 60 A 87 CYS middle -HG . 61 A 88 LYS middle . . 62 A 89 ASP middle . . 63 A 90 SER middle . . 64 A 91 PRO middle . false 65 A 92 LYS middle . . 66 A 93 ALA middle . . 67 A 94 GLN middle . . 68 A 95 LEU middle . . 69 A 96 ARG middle . . 70 A 97 ARG middle . . 71 A 98 THR middle . . 72 A 99 ILE middle . . 73 A 100 GLU middle . . 74 A 101 CYS middle -HG . 75 A 102 CYS middle -HG . 76 A 103 ARG middle . . 77 A 104 THR middle . . 78 A 105 ASN middle . . 79 A 106 LEU middle . . 80 A 107 CYS middle -HG . 81 A 108 ASN middle . . 82 A 109 GLN middle . . 83 A 110 TYR middle . . 84 A 111 LEU middle . . 85 A 112 GLN middle . . 86 A 113 PRO middle . false 87 A 114 THR middle . . 88 A 115 LEU middle . . 89 A 116 PRO middle . false 90 A 117 PRO middle . false 91 A 118 VAL middle . . 92 A 119 VAL middle . . 93 A 120 ILE middle . . 94 A 121 GLY middle . false 95 A 122 PRO middle . false 96 A 123 PHE middle . . 97 A 124 PHE middle . . 98 A 125 ASP middle . . 99 A 126 GLY middle . false 100 A 127 SER middle . . 101 A 128 ILE middle . . 102 A 129 ARG 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 29 PRO HA H 1 4.31 0.02 A 29 PRO HB2 H 1 1.83 0.02 A 29 PRO HB3 H 1 2.21 0.02 A 29 PRO HDx H 1 3.47 0.02 A 29 PRO HDy H 1 3.59 0.02 A 29 PRO HG2 H 1 1.95 0.02 A 29 PRO HG3 H 1 1.95 0.02 A 29 PRO CA C 13 64.38 0.05 A 29 PRO CB C 13 32.30 0.05 A 29 PRO CD C 13 49.90 0.05 A 29 PRO CG C 13 27.38 0.05 A 30 GLU H H 1 9.01 0.02 A 30 GLU HA H 1 4.17 0.02 A 30 GLU HBy H 1 2.00 0.02 A 30 GLU HBx H 1 1.86 0.02 A 30 GLU HG2 H 1 2.20 0.02 A 30 GLU HG3 H 1 2.20 0.02 A 30 GLU C C 13 173.73 0.05 A 30 GLU CA C 13 57.56 0.05 A 30 GLU CB C 13 29.40 0.05 A 30 GLU CG C 13 36.36 0.05 A 30 GLU N N 15 118.79 0.05 A 31 ASP H H 1 7.94 0.02 A 31 ASP HA H 1 4.56 0.02 A 31 ASP HB2 H 1 2.62 0.02 A 31 ASP HB3 H 1 2.62 0.02 A 31 ASP C C 13 173.60 0.05 A 31 ASP CA C 13 54.94 0.05 A 31 ASP CB C 13 41.65 0.05 A 31 ASP N N 15 119.92 0.05 A 32 THR H H 1 7.81 0.02 A 32 THR HA H 1 4.16 0.02 A 32 THR HB H 1 4.09 0.02 A 32 THR HG2% H 1 1.10 0.02 A 32 THR C C 13 171.63 0.05 A 32 THR CA C 13 62.41 0.05 A 32 THR CB C 13 70.04 0.05 A 32 THR CG2 C 13 21.87 0.05 A 32 THR N N 15 113.57 0.05 A 33 LEU H H 1 8.10 0.02 A 33 LEU HA H 1 4.49 0.02 A 33 LEU HB2 H 1 1.49 0.02 A 33 LEU HB3 H 1 1.41 0.02 A 33 LEU HD1% H 1 0.76 0.02 A 33 LEU HD2% H 1 0.76 0.02 A 33 LEU HG H 1 1.55 0.02 A 33 LEU C C 13 172.44 0.05 A 33 LEU CA C 13 53.43 0.05 A 33 LEU CB C 13 41.90 0.05 A 33 LEU CD1 C 13 25.40 0.05 A 33 LEU CD2 C 13 23.46 0.05 A 33 LEU CG C 13 27.15 0.05 A 33 LEU N N 15 125.79 0.05 A 34 PRO HA H 1 4.13 0.02 A 34 PRO HB2 H 1 1.70 0.02 A 34 PRO HB3 H 1 1.99 0.02 A 34 PRO HD2 H 1 3.53 0.02 A 34 PRO HD3 H 1 3.72 0.02 A 34 PRO HG2 H 1 1.90 0.02 A 34 PRO HG3 H 1 1.90 0.02 A 34 PRO CA C 13 63.66 0.05 A 34 PRO CB C 13 31.97 0.05 A 34 PRO CD C 13 50.55 0.05 A 34 PRO CG C 13 27.62 0.05 A 35 PHE H H 1 7.61 0.02 A 35 PHE HA H 1 4.58 0.02 A 35 PHE HBy H 1 2.93 0.02 A 35 PHE HBx H 1 2.89 0.02 A 35 PHE HD1 H 1 7.13 0.02 A 35 PHE HD2 H 1 7.13 0.02 A 35 PHE C C 13 171.11 0.05 A 35 PHE CA C 13 57.69 0.05 A 35 PHE CB C 13 40.85 0.05 A 35 PHE N N 15 117.67 0.05 A 36 LEU H H 1 8.31 0.02 A 36 LEU HA H 1 4.42 0.02 A 36 LEU HB2 H 1 0.90 0.02 A 36 LEU HB3 H 1 1.35 0.02 A 36 LEU HD1% H 1 0.56 0.02 A 36 LEU HD2% H 1 0.59 0.02 A 36 LEU HG H 1 1.20 0.02 A 36 LEU C C 13 171.05 0.05 A 36 LEU CA C 13 54.77 0.05 A 36 LEU CB C 13 44.23 0.05 A 36 LEU CD1 C 13 23.74 0.05 A 36 LEU CD2 C 13 26.81 0.05 A 36 LEU CG C 13 26.73 0.05 A 36 LEU N N 15 125.15 0.05 A 37 LYS H H 1 8.13 0.02 A 37 LYS HA H 1 5.11 0.02 A 37 LYS HB2 H 1 1.50 0.02 A 37 LYS HB3 H 1 1.50 0.02 A 37 LYS HD2 H 1 1.53 0.02 A 37 LYS HD3 H 1 1.53 0.02 A 37 LYS HE2 H 1 2.80 0.02 A 37 LYS HE3 H 1 2.80 0.02 A 37 LYS HGy H 1 1.29 0.02 A 37 LYS HGx H 1 1.19 0.02 A 37 LYS C C 13 172.47 0.05 A 37 LYS CA C 13 54.73 0.05 A 37 LYS CB C 13 35.01 0.05 A 37 LYS CD C 13 29.77 0.05 A 37 LYS CE C 13 42.13 0.05 A 37 LYS CG C 13 25.61 0.05 A 37 LYS N N 15 123.55 0.05 A 38 CYS H H 1 9.24 0.02 A 38 CYS HA H 1 4.89 0.02 A 38 CYS HBy H 1 2.94 0.02 A 38 CYS HBx H 1 2.88 0.02 A 38 CYS C C 13 171.75 0.05 A 38 CYS CA C 13 51.95 0.05 A 38 CYS CB C 13 41.36 0.05 A 38 CYS N N 15 121.58 0.05 A 39 TYR H H 1 8.83 0.02 A 39 TYR HA H 1 4.78 0.02 A 39 TYR HB2 H 1 2.52 0.02 A 39 TYR HB3 H 1 2.32 0.02 A 39 TYR HD1 H 1 6.87 0.02 A 39 TYR HD2 H 1 6.87 0.02 A 39 TYR HE1 H 1 6.66 0.02 A 39 TYR HE2 H 1 6.66 0.02 A 39 TYR C C 13 172.26 0.05 A 39 TYR CA C 13 58.50 0.05 A 39 TYR CB C 13 40.90 0.05 A 39 TYR N N 15 122.39 0.05 A 40 CYS H H 1 7.69 0.02 A 40 CYS HA H 1 4.42 0.02 A 40 CYS HB2 H 1 2.72 0.02 A 40 CYS HB3 H 1 2.72 0.02 A 40 CYS CA C 13 53.85 0.05 A 40 CYS CB C 13 48.92 0.05 A 41 SER H H 1 7.85 0.02 A 41 SER HA H 1 4.16 0.02 A 41 SER HB2 H 1 3.68 0.02 A 41 SER HB3 H 1 3.68 0.02 A 41 SER CA C 13 58.45 0.05 A 41 SER CB C 13 63.84 0.05 A 41 SER N N 15 117.02 0.05 A 43 HIS HA H 1 4.88 0.02 A 43 HIS HBy H 1 3.45 0.02 A 43 HIS HBx H 1 2.80 0.02 A 43 HIS CA C 13 54.77 0.05 A 43 HIS CB C 13 29.49 0.05 A 44 CYS H H 1 8.56 0.02 A 45 PRO HA H 1 4.66 0.02 A 45 PRO HB2 H 1 2.22 0.02 A 45 PRO HB3 H 1 2.41 0.02 A 45 PRO HGx H 1 1.97 0.02 A 45 PRO HGy H 1 2.25 0.02 A 45 PRO CA C 13 62.50 0.05 A 45 PRO CB C 13 33.14 0.05 A 45 PRO CD C 13 50.23 0.05 A 45 PRO CG C 13 27.65 0.05 A 46 ASP H H 1 8.80 0.02 A 46 ASP HA H 1 4.25 0.02 A 46 ASP HBy H 1 2.67 0.02 A 46 ASP HBx H 1 2.62 0.02 A 46 ASP C C 13 173.43 0.05 A 46 ASP CA C 13 57.19 0.05 A 46 ASP CB C 13 40.72 0.05 A 46 ASP N N 15 120.17 0.05 A 47 ASP H H 1 8.05 0.02 A 47 ASP HA H 1 4.51 0.02 A 47 ASP HB2 H 1 2.90 0.02 A 47 ASP HB3 H 1 2.48 0.02 A 47 ASP C C 13 173.50 0.05 A 47 ASP CA C 13 52.84 0.05 A 47 ASP CB C 13 39.98 0.05 A 47 ASP N N 15 114.67 0.05 A 48 ALA H H 1 7.35 0.02 A 48 ALA HA H 1 4.28 0.02 A 48 ALA HB% H 1 1.26 0.02 A 48 ALA C C 13 174.49 0.05 A 48 ALA CA C 13 53.43 0.05 A 48 ALA CB C 13 20.87 0.05 A 48 ALA N N 15 122.66 0.05 A 49 ILE H H 1 7.96 0.02 A 49 ILE HA H 1 4.24 0.02 A 49 ILE HB H 1 1.62 0.02 A 49 ILE HD1% H 1 0.74 0.02 A 49 ILE HG1y H 1 0.97 0.02 A 49 ILE HG2% H 1 0.77 0.02 A 49 ILE C C 13 173.30 0.05 A 49 ILE CA C 13 60.23 0.05 A 49 ILE CB C 13 40.28 0.05 A 49 ILE CD1 C 13 12.88 0.05 A 49 ILE CG1 C 13 27.20 0.05 A 49 ILE CG2 C 13 17.36 0.05 A 49 ILE N N 15 119.55 0.05 A 50 ASN H H 1 9.28 0.02 A 50 ASN HA H 1 4.29 0.02 A 50 ASN HBy H 1 2.91 0.02 A 50 ASN HBx H 1 2.71 0.02 A 50 ASN HD2x H 1 6.82 0.02 A 50 ASN HD2y H 1 7.53 0.02 A 50 ASN CA C 13 54.66 0.05 A 50 ASN CB C 13 37.62 0.05 A 50 ASN N N 15 125.47 0.05 A 50 ASN ND2 N 15 112.50 0.05 A 51 ASN H H 1 8.85 0.02 A 51 ASN HA H 1 4.07 0.02 A 51 ASN HBy H 1 3.06 0.02 A 51 ASN HBx H 1 2.79 0.02 A 51 ASN HD2x H 1 7.61 0.02 A 51 ASN HD2y H 1 8.55 0.02 A 51 ASN C C 13 170.66 0.05 A 51 ASN CA C 13 56.08 0.05 A 51 ASN CB C 13 37.43 0.05 A 51 ASN ND2 N 15 116.80 0.05 A 52 THR H H 1 7.19 0.02 A 52 THR HA H 1 5.37 0.02 A 52 THR HB H 1 3.89 0.02 A 52 THR HG2% H 1 1.02 0.02 A 52 THR C C 13 169.91 0.05 A 52 THR CA C 13 59.89 0.05 A 52 THR CB C 13 73.94 0.05 A 52 THR CG2 C 13 22.12 0.05 A 52 THR N N 15 105.82 0.05 A 53 CYS H H 1 8.96 0.02 A 53 CYS HA H 1 5.00 0.02 A 53 CYS HB2 H 1 3.59 0.02 A 53 CYS HB3 H 1 2.57 0.02 A 53 CYS C C 13 168.78 0.05 A 53 CYS CA C 13 52.56 0.05 A 53 CYS CB C 13 48.65 0.05 A 53 CYS N N 15 116.07 0.05 A 54 ILE H H 1 8.53 0.02 A 54 ILE HA H 1 5.21 0.02 A 54 ILE HB H 1 1.52 0.02 A 54 ILE HD1% H 1 0.63 0.02 A 54 ILE HG12 H 1 1.33 0.02 A 54 ILE HG13 H 1 0.94 0.02 A 54 ILE HG2% H 1 0.67 0.02 A 54 ILE C C 13 173.40 0.05 A 54 ILE CA C 13 59.20 0.05 A 54 ILE CB C 13 40.22 0.05 A 54 ILE CD1 C 13 13.05 0.05 A 54 ILE CG1 C 13 27.40 0.05 A 54 ILE CG2 C 13 17.94 0.05 A 54 ILE N N 15 120.17 0.05 A 55 THR H H 1 9.20 0.02 A 55 THR HA H 1 4.80 0.02 A 55 THR HB H 1 3.73 0.02 A 55 THR HG2% H 1 0.83 0.02 A 55 THR C C 13 168.37 0.05 A 55 THR CA C 13 60.06 0.05 A 55 THR CB C 13 70.49 0.05 A 55 THR CG2 C 13 19.62 0.05 A 55 THR N N 15 120.75 0.05 A 56 ASN H H 1 8.00 0.02 A 56 ASN HA H 1 4.92 0.02 A 56 ASN HB2 H 1 2.37 0.02 A 56 ASN HB3 H 1 2.90 0.02 A 56 ASN HD2x H 1 6.93 0.02 A 56 ASN HD2y H 1 7.44 0.02 A 56 ASN C C 13 172.88 0.05 A 56 ASN CA C 13 52.62 0.05 A 56 ASN CB C 13 38.92 0.05 A 56 ASN N N 15 120.88 0.05 A 56 ASN ND2 N 15 110.61 0.05 A 57 GLY H H 1 8.51 0.02 A 57 GLY HA2 H 1 4.14 0.02 A 57 GLY HA3 H 1 3.96 0.02 A 57 GLY C C 13 169.02 0.05 A 57 GLY CA C 13 45.80 0.05 A 57 GLY N N 15 111.38 0.05 A 58 HIS H H 1 8.56 0.02 A 58 HIS HA H 1 4.71 0.02 A 58 HIS HB2 H 1 2.79 0.02 A 58 HIS HB3 H 1 3.25 0.02 A 58 HIS C C 13 171.20 0.05 A 58 HIS CA C 13 56.14 0.05 A 58 HIS CB C 13 34.65 0.05 A 58 HIS N N 15 120.87 0.05 A 59 CYS H H 1 8.71 0.02 A 59 CYS HA H 1 5.70 0.02 A 59 CYS HB2 H 1 2.96 0.02 A 59 CYS HB3 H 1 3.06 0.02 A 59 CYS C C 13 173.47 0.05 A 59 CYS CA C 13 52.34 0.05 A 59 CYS CB C 13 36.95 0.05 A 59 CYS N N 15 117.29 0.05 A 60 PHE H H 1 8.70 0.02 A 60 PHE HA H 1 6.11 0.02 A 60 PHE HBy H 1 2.99 0.02 A 60 PHE HBx H 1 2.89 0.02 A 60 PHE HD1 H 1 6.69 0.02 A 60 PHE HD2 H 1 6.69 0.02 A 60 PHE HE1 H 1 6.93 0.02 A 60 PHE HE2 H 1 6.93 0.02 A 60 PHE HZ H 1 6.80 0.02 A 60 PHE C C 13 172.20 0.05 A 60 PHE CA C 13 56.63 0.05 A 60 PHE CB C 13 44.83 0.05 A 60 PHE N N 15 116.07 0.05 A 61 ALA H H 1 9.20 0.02 A 61 ALA HA H 1 5.00 0.02 A 61 ALA HB% H 1 1.31 0.02 A 61 ALA C C 13 171.61 0.05 A 61 ALA CA C 13 52.32 0.05 A 61 ALA CB C 13 23.95 0.05 A 61 ALA N N 15 125.17 0.05 A 62 ILE H H 1 9.47 0.02 A 62 ILE HA H 1 5.35 0.02 A 62 ILE HB H 1 1.61 0.02 A 62 ILE HD1% H 1 0.62 0.02 A 62 ILE HG1y H 1 1.53 0.02 A 62 ILE HG1x H 1 0.83 0.02 A 62 ILE HG2% H 1 0.89 0.02 A 62 ILE C C 13 170.85 0.05 A 62 ILE CA C 13 59.26 0.05 A 62 ILE CB C 13 43.66 0.05 A 62 ILE CD1 C 13 14.67 0.05 A 62 ILE CG1 C 13 28.92 0.05 A 62 ILE CG2 C 13 17.22 0.05 A 62 ILE N N 15 120.63 0.05 A 63 ILE H H 1 8.50 0.02 A 63 ILE HA H 1 5.24 0.02 A 63 ILE HB H 1 1.50 0.02 A 63 ILE HD1% H 1 0.80 0.02 A 63 ILE HG12 H 1 0.81 0.02 A 63 ILE HG13 H 1 1.46 0.02 A 63 ILE HG2% H 1 0.73 0.02 A 63 ILE C C 13 170.51 0.05 A 63 ILE CA C 13 59.13 0.05 A 63 ILE CB C 13 41.67 0.05 A 63 ILE CD1 C 13 14.38 0.05 A 63 ILE CG1 C 13 29.18 0.05 A 63 ILE CG2 C 13 17.00 0.05 A 63 ILE N N 15 125.83 0.05 A 64 GLU H H 1 8.45 0.02 A 64 GLU HA H 1 5.01 0.02 A 64 GLU HB2 H 1 1.84 0.02 A 64 GLU HB3 H 1 1.88 0.02 A 64 GLU HGy H 1 2.05 0.02 A 64 GLU HGx H 1 2.02 0.02 A 64 GLU C C 13 171.41 0.05 A 64 GLU CA C 13 54.83 0.05 A 64 GLU CB C 13 34.32 0.05 A 64 GLU CG C 13 36.76 0.05 A 64 GLU N N 15 124.57 0.05 A 65 GLU H H 1 8.30 0.02 A 65 GLU HA H 1 5.04 0.02 A 65 GLU HB2 H 1 1.76 0.02 A 65 GLU HB3 H 1 1.97 0.02 A 65 GLU HG2 H 1 1.91 0.02 A 65 GLU HG3 H 1 2.42 0.02 A 65 GLU C C 13 172.92 0.05 A 65 GLU CA C 13 54.76 0.05 A 65 GLU CB C 13 33.47 0.05 A 65 GLU CG C 13 36.52 0.05 A 65 GLU N N 15 123.96 0.05 A 66 ASP H H 1 8.47 0.02 A 66 ASP HA H 1 4.75 0.02 A 66 ASP HB2 H 1 3.21 0.02 A 66 ASP HB3 H 1 2.64 0.02 A 66 ASP C C 13 174.94 0.05 A 66 ASP CA C 13 52.89 0.05 A 66 ASP CB C 13 41.99 0.05 A 66 ASP N N 15 124.87 0.05 A 67 ASP H H 1 8.38 0.02 A 67 ASP HA H 1 4.31 0.02 A 67 ASP HB2 H 1 2.64 0.02 A 67 ASP HB3 H 1 2.64 0.02 A 67 ASP C C 13 174.21 0.05 A 67 ASP CA C 13 56.35 0.05 A 67 ASP CB C 13 40.51 0.05 A 67 ASP N N 15 116.22 0.05 A 68 GLN H H 1 8.20 0.02 A 68 GLN HA H 1 4.38 0.02 A 68 GLN HB2 H 1 2.06 0.02 A 68 GLN HB3 H 1 2.28 0.02 A 68 GLN HE2x H 1 6.70 0.02 A 68 GLN HE2y H 1 7.51 0.02 A 68 GLN HG2 H 1 2.28 0.02 A 68 GLN HG3 H 1 2.28 0.02 A 68 GLN C C 13 173.74 0.05 A 68 GLN CA C 13 55.59 0.05 A 68 GLN CB C 13 29.78 0.05 A 68 GLN CG C 13 34.70 0.05 A 68 GLN N N 15 117.19 0.05 A 68 GLN NE2 N 15 112.70 0.05 A 69 GLY H H 1 8.00 0.02 A 69 GLY HA2 H 1 3.63 0.02 A 69 GLY HA3 H 1 4.14 0.02 A 69 GLY C C 13 171.65 0.05 A 69 GLY CA C 13 45.73 0.05 A 69 GLY N N 15 108.13 0.05 A 70 GLU H H 1 8.41 0.02 A 70 GLU HA H 1 4.45 0.02 A 70 GLU HBy H 1 2.03 0.02 A 70 GLU HBx H 1 1.99 0.02 A 70 GLU HGy H 1 2.22 0.02 A 70 GLU HGx H 1 2.07 0.02 A 70 GLU C C 13 173.97 0.05 A 70 GLU CA C 13 56.02 0.05 A 70 GLU CB C 13 30.30 0.05 A 70 GLU CG C 13 36.43 0.05 A 70 GLU N N 15 122.30 0.05 A 71 THR H H 1 8.62 0.02 A 71 THR HA H 1 5.21 0.02 A 71 THR HB H 1 3.91 0.02 A 71 THR HG2% H 1 1.04 0.02 A 71 THR C C 13 172.16 0.05 A 71 THR CA C 13 61.60 0.05 A 71 THR CB C 13 71.00 0.05 A 71 THR CG2 C 13 22.35 0.05 A 71 THR N N 15 117.33 0.05 A 72 THR H H 1 8.76 0.02 A 72 THR HA H 1 4.50 0.02 A 72 THR HB H 1 3.96 0.02 A 72 THR HG2% H 1 1.09 0.02 A 72 THR C C 13 169.60 0.05 A 72 THR CA C 13 61.27 0.05 A 72 THR CB C 13 72.32 0.05 A 72 THR CG2 C 13 21.83 0.05 A 72 THR N N 15 117.84 0.05 A 73 LEU H H 1 8.40 0.02 A 73 LEU HA H 1 5.25 0.02 A 73 LEU HB2 H 1 1.42 0.02 A 73 LEU HB3 H 1 1.65 0.02 A 73 LEU HDy% H 1 0.85 0.02 A 73 LEU HG H 1 1.52 0.02 A 73 LEU C C 13 173.15 0.05 A 73 LEU CA C 13 54.30 0.05 A 73 LEU CB C 13 44.86 0.05 A 73 LEU CDy C 13 25.40 0.05 A 73 LEU CDx C 13 25.00 0.05 A 73 LEU CG C 13 28.05 0.05 A 73 LEU N N 15 126.02 0.05 A 74 ALA HA H 1 4.76 0.02 A 74 ALA HB% H 1 1.44 0.02 A 74 ALA C C 13 172.74 0.05 A 74 ALA CA C 13 51.44 0.05 A 74 ALA CB C 13 23.35 0.05 A 75 SER H H 1 8.70 0.02 A 75 SER HA H 1 4.50 0.02 A 75 SER HB2 H 1 3.58 0.02 A 75 SER HB3 H 1 3.86 0.02 A 75 SER C C 13 171.59 0.05 A 75 SER CA C 13 57.74 0.05 A 75 SER CB C 13 65.70 0.05 A 75 SER N N 15 111.40 0.05 A 76 GLY H H 1 6.44 0.02 A 76 GLY HA2 H 1 3.85 0.02 A 76 GLY HA3 H 1 3.73 0.02 A 76 GLY C C 13 167.89 0.05 A 76 GLY CA C 13 47.42 0.05 A 76 GLY N N 15 105.48 0.05 A 77 CYS H H 1 8.74 0.02 A 77 CYS HA H 1 4.95 0.02 A 77 CYS HB2 H 1 3.08 0.02 A 77 CYS HB3 H 1 2.77 0.02 A 77 CYS C C 13 170.67 0.05 A 77 CYS CA C 13 60.03 0.05 A 77 CYS CB C 13 46.10 0.05 A 77 CYS N N 15 118.96 0.05 A 78 MET H H 1 9.24 0.02 A 78 MET HA H 1 4.76 0.02 A 78 MET HB2 H 1 1.68 0.02 A 78 MET HB3 H 1 1.88 0.02 A 78 MET HE% H 1 1.48 0.02 A 78 MET HG2 H 1 2.38 0.02 A 78 MET HG3 H 1 2.38 0.02 A 78 MET C C 13 171.99 0.05 A 78 MET CA C 13 54.63 0.05 A 78 MET CB C 13 35.81 0.05 A 78 MET CE C 13 16.96 0.05 A 78 MET CG C 13 31.84 0.05 A 78 MET N N 15 122.34 0.05 A 79 LYS H H 1 8.43 0.02 A 79 LYS HA H 1 4.16 0.02 A 79 LYS HB2 H 1 1.81 0.02 A 79 LYS HB3 H 1 1.81 0.02 A 79 LYS HD2 H 1 1.66 0.02 A 79 LYS HD3 H 1 1.66 0.02 A 79 LYS HE2 H 1 2.96 0.02 A 79 LYS HE3 H 1 2.96 0.02 A 79 LYS HG2 H 1 1.42 0.02 A 79 LYS HG3 H 1 1.42 0.02 A 79 LYS C C 13 173.04 0.05 A 79 LYS CA C 13 57.12 0.05 A 79 LYS CB C 13 33.72 0.05 A 79 LYS CD C 13 29.74 0.05 A 79 LYS CE C 13 42.45 0.05 A 79 LYS CG C 13 24.75 0.05 A 79 LYS N N 15 125.03 0.05 A 80 TYR H H 1 8.40 0.02 A 80 TYR HA H 1 4.20 0.02 A 80 TYR HB2 H 1 2.72 0.02 A 80 TYR HB3 H 1 2.72 0.02 A 80 TYR C C 13 173.37 0.05 A 80 TYR CA C 13 59.91 0.05 A 80 TYR CB C 13 39.00 0.05 A 80 TYR N N 15 121.42 0.05 A 81 GLU H H 1 8.49 0.02 A 81 GLU HA H 1 4.17 0.02 A 81 GLU HBy H 1 1.94 0.02 A 81 GLU HBx H 1 1.72 0.02 A 81 GLU HGy H 1 2.06 0.02 A 81 GLU C C 13 173.24 0.05 A 81 GLU CA C 13 56.44 0.05 A 81 GLU CB C 13 30.86 0.05 A 81 GLU CG C 13 36.21 0.05 A 81 GLU N N 15 123.79 0.05 A 82 GLY H H 1 7.20 0.02 A 82 GLY HAy H 1 4.05 0.02 A 82 GLY HAx H 1 3.69 0.02 A 82 GLY C C 13 171.52 0.05 A 82 GLY CA C 13 45.68 0.05 A 82 GLY N N 15 108.40 0.05 A 83 SER H H 1 8.14 0.02 A 83 SER HA H 1 4.28 0.02 A 83 SER HB2 H 1 3.78 0.02 A 83 SER HB3 H 1 3.78 0.02 A 83 SER C C 13 171.90 0.05 A 83 SER CA C 13 59.27 0.05 A 83 SER CB C 13 63.96 0.05 A 83 SER N N 15 114.65 0.05 A 84 ASP H H 1 8.34 0.02 A 84 ASP HA H 1 4.43 0.02 A 84 ASP HBy H 1 2.48 0.02 A 84 ASP HBx H 1 2.41 0.02 A 84 ASP C C 13 173.10 0.05 A 84 ASP CA C 13 54.95 0.05 A 84 ASP CB C 13 40.84 0.05 A 84 ASP N N 15 121.23 0.05 A 85 PHE H H 1 7.73 0.02 A 85 PHE HA H 1 4.26 0.02 A 85 PHE HB2 H 1 2.78 0.02 A 85 PHE HB3 H 1 2.78 0.02 A 85 PHE HD1 H 1 6.90 0.02 A 85 PHE HD2 H 1 6.90 0.02 A 85 PHE HE1 H 1 7.00 0.02 A 85 PHE HE2 H 1 7.00 0.02 A 85 PHE HZ H 1 6.96 0.02 A 85 PHE C C 13 172.59 0.05 A 85 PHE CA C 13 58.52 0.05 A 85 PHE CB C 13 39.84 0.05 A 85 PHE N N 15 118.92 0.05 A 86 GLN H H 1 7.79 0.02 A 86 GLN HA H 1 4.07 0.02 A 86 GLN HB2 H 1 1.67 0.02 A 86 GLN HB3 H 1 1.84 0.02 A 86 GLN HE2x H 1 6.66 0.02 A 86 GLN HE2y H 1 7.37 0.02 A 86 GLN HG2 H 1 2.12 0.02 A 86 GLN HG3 H 1 2.12 0.02 A 86 GLN C C 13 172.55 0.05 A 86 GLN CA C 13 56.00 0.05 A 86 GLN CB C 13 30.60 0.05 A 86 GLN CG C 13 33.93 0.05 A 86 GLN N N 15 120.28 0.05 A 86 GLN NE2 N 15 111.94 0.05 A 87 CYS H H 1 8.10 0.02 A 87 CYS HA H 1 4.14 0.02 A 87 CYS HBy H 1 2.94 0.02 A 87 CYS HBx H 1 2.61 0.02 A 87 CYS C C 13 170.91 0.05 A 87 CYS CA C 13 56.81 0.05 A 87 CYS CB C 13 40.78 0.05 A 87 CYS N N 15 118.79 0.05 A 88 LYS H H 1 7.61 0.02 A 88 LYS HA H 1 4.28 0.02 A 88 LYS HBy H 1 1.67 0.02 A 88 LYS HBx H 1 1.56 0.02 A 88 LYS HD2 H 1 1.53 0.02 A 88 LYS HD3 H 1 1.53 0.02 A 88 LYS HE2 H 1 2.85 0.02 A 88 LYS HE3 H 1 2.85 0.02 A 88 LYS HG2 H 1 1.21 0.02 A 88 LYS HG3 H 1 1.21 0.02 A 88 LYS C C 13 172.33 0.05 A 88 LYS CA C 13 56.21 0.05 A 88 LYS CB C 13 34.21 0.05 A 88 LYS CD C 13 29.39 0.05 A 88 LYS CE C 13 42.31 0.05 A 88 LYS CG C 13 24.61 0.05 A 88 LYS N N 15 120.33 0.05 A 89 ASP H H 1 8.18 0.02 A 89 ASP HA H 1 4.50 0.02 A 89 ASP HB2 H 1 2.46 0.02 A 89 ASP HB3 H 1 2.46 0.02 A 89 ASP C C 13 172.97 0.05 A 89 ASP CA C 13 54.20 0.05 A 89 ASP CB C 13 42.09 0.05 A 89 ASP N N 15 121.19 0.05 A 90 SER H H 1 8.19 0.02 A 90 SER HA H 1 4.64 0.02 A 90 SER HB2 H 1 3.74 0.02 A 90 SER HB3 H 1 3.74 0.02 A 90 SER C C 13 170.24 0.05 A 90 SER CA C 13 56.60 0.05 A 90 SER CB C 13 63.77 0.05 A 90 SER N N 15 116.71 0.05 A 91 PRO HA H 1 4.35 0.02 A 91 PRO HB2 H 1 1.85 0.02 A 91 PRO HB3 H 1 2.21 0.02 A 91 PRO HD2 H 1 3.62 0.02 A 91 PRO HD3 H 1 3.69 0.02 A 91 PRO HG2 H 1 1.93 0.02 A 91 PRO HG3 H 1 1.93 0.02 A 91 PRO CA C 13 63.80 0.05 A 91 PRO CB C 13 32.41 0.05 A 91 PRO CD C 13 50.98 0.05 A 91 PRO CG C 13 27.62 0.05 A 92 LYS H H 1 8.24 0.02 A 92 LYS HA H 1 4.21 0.02 A 92 LYS HBy H 1 1.77 0.02 A 92 LYS HBx H 1 1.64 0.02 A 92 LYS HD2 H 1 1.58 0.02 A 92 LYS HD3 H 1 1.58 0.02 A 92 LYS HE2 H 1 2.89 0.02 A 92 LYS HE3 H 1 2.89 0.02 A 92 LYS HG2 H 1 1.33 0.02 A 92 LYS HG3 H 1 1.33 0.02 A 92 LYS C C 13 173.33 0.05 A 92 LYS CA C 13 56.41 0.05 A 92 LYS CB C 13 33.23 0.05 A 92 LYS CD C 13 29.31 0.05 A 92 LYS CE C 13 42.38 0.05 A 92 LYS CG C 13 25.08 0.05 A 92 LYS N N 15 120.18 0.05 A 93 ALA H H 1 8.04 0.02 A 93 ALA HA H 1 4.21 0.02 A 93 ALA HB% H 1 1.33 0.02 A 93 ALA C C 13 174.58 0.05 A 93 ALA CA C 13 53.02 0.05 A 93 ALA CB C 13 19.76 0.05 A 93 ALA N N 15 124.05 0.05 A 94 GLN H H 1 8.32 0.02 A 94 GLN HA H 1 4.19 0.02 A 94 GLN HB2 H 1 1.93 0.02 A 94 GLN HB3 H 1 2.08 0.02 A 94 GLN HE2x H 1 6.78 0.02 A 94 GLN HE2y H 1 7.48 0.02 A 94 GLN HG2 H 1 2.27 0.02 A 94 GLN HG3 H 1 2.27 0.02 A 94 GLN C C 13 172.78 0.05 A 94 GLN CA C 13 56.75 0.05 A 94 GLN CB C 13 29.10 0.05 A 94 GLN CG C 13 34.28 0.05 A 94 GLN N N 15 117.93 0.05 A 94 GLN NE2 N 15 111.90 0.05 A 95 LEU H H 1 7.73 0.02 A 95 LEU HA H 1 4.36 0.02 A 95 LEU HB2 H 1 1.55 0.02 A 95 LEU HB3 H 1 1.55 0.02 A 95 LEU HDx% H 1 0.78 0.02 A 95 LEU HDy% H 1 0.81 0.02 A 95 LEU HG H 1 1.49 0.02 A 95 LEU C C 13 174.27 0.05 A 95 LEU CA C 13 54.97 0.05 A 95 LEU CB C 13 43.12 0.05 A 95 LEU CDx C 13 23.59 0.05 A 95 LEU CDy C 13 25.38 0.05 A 95 LEU CG C 13 27.30 0.05 A 95 LEU N N 15 120.47 0.05 A 96 ARG H H 1 8.60 0.02 A 96 ARG HA H 1 4.23 0.02 A 96 ARG HB2 H 1 1.79 0.02 A 96 ARG HB3 H 1 1.79 0.02 A 96 ARG HDy H 1 3.12 0.02 A 96 ARG HDx H 1 3.08 0.02 A 96 ARG HE H 1 7.15 0.02 A 96 ARG HG2 H 1 1.66 0.02 A 96 ARG HG3 H 1 1.66 0.02 A 96 ARG C C 13 171.70 0.05 A 96 ARG CA C 13 56.57 0.05 A 96 ARG CB C 13 30.66 0.05 A 96 ARG CD C 13 43.81 0.05 A 96 ARG CG C 13 27.32 0.05 A 96 ARG N N 15 121.67 0.05 A 96 ARG NE N 15 113.61 0.05 A 97 ARG H H 1 7.80 0.02 A 97 ARG HA H 1 5.17 0.02 A 97 ARG HB2 H 1 1.70 0.02 A 97 ARG HB3 H 1 1.70 0.02 A 97 ARG HD2 H 1 3.02 0.02 A 97 ARG HD3 H 1 3.02 0.02 A 97 ARG HE H 1 7.70 0.02 A 97 ARG HG2 H 1 1.43 0.02 A 97 ARG HG3 H 1 1.43 0.02 A 97 ARG C C 13 172.12 0.05 A 97 ARG CA C 13 55.26 0.05 A 97 ARG CB C 13 34.04 0.05 A 97 ARG CD C 13 44.44 0.05 A 97 ARG CG C 13 26.65 0.05 A 97 ARG N N 15 120.13 0.05 A 97 ARG NE N 15 114.16 0.05 A 98 THR H H 1 8.61 0.02 A 98 THR HA H 1 4.60 0.02 A 98 THR HB H 1 3.77 0.02 A 98 THR HG2% H 1 1.18 0.02 A 98 THR C C 13 169.25 0.05 A 98 THR CA C 13 62.03 0.05 A 98 THR CB C 13 71.97 0.05 A 98 THR CG2 C 13 23.33 0.05 A 98 THR N N 15 118.55 0.05 A 99 ILE H H 1 8.52 0.02 A 99 ILE HA H 1 5.08 0.02 A 99 ILE HB H 1 1.47 0.02 A 99 ILE HD1% H 1 0.44 0.02 A 99 ILE HG1y H 1 1.47 0.02 A 99 ILE HG1x H 1 0.88 0.02 A 99 ILE HG2% H 1 0.74 0.02 A 99 ILE C C 13 170.93 0.05 A 99 ILE CA C 13 59.37 0.05 A 99 ILE CB C 13 42.14 0.05 A 99 ILE CD1 C 13 14.41 0.05 A 99 ILE CG1 C 13 29.27 0.05 A 99 ILE CG2 C 13 16.72 0.05 A 99 ILE N N 15 125.23 0.05 A 100 GLU H H 1 8.86 0.02 A 100 GLU HA H 1 4.67 0.02 A 100 GLU HB2 H 1 1.68 0.02 A 100 GLU HB3 H 1 1.91 0.02 A 100 GLU HG2 H 1 2.14 0.02 A 100 GLU HG3 H 1 2.14 0.02 A 100 GLU C C 13 172.20 0.05 A 100 GLU CA C 13 55.84 0.05 A 100 GLU CB C 13 34.41 0.05 A 100 GLU CG C 13 36.54 0.05 A 100 GLU N N 15 125.68 0.05 A 101 CYS H H 1 8.83 0.02 A 101 CYS HA H 1 5.79 0.02 A 101 CYS HB2 H 1 3.05 0.02 A 101 CYS HB3 H 1 3.05 0.02 A 101 CYS C C 13 170.36 0.05 A 101 CYS CA C 13 55.01 0.05 A 101 CYS CB C 13 45.32 0.05 A 101 CYS N N 15 119.26 0.05 A 102 CYS H H 1 9.13 0.02 A 102 CYS HA H 1 5.00 0.02 A 102 CYS HB2 H 1 3.51 0.02 A 102 CYS HB3 H 1 3.40 0.02 A 102 CYS C C 13 170.67 0.05 A 102 CYS CA C 13 56.18 0.05 A 102 CYS CB C 13 46.09 0.05 A 102 CYS N N 15 116.46 0.05 A 103 ARG H H 1 9.24 0.02 A 103 ARG HA H 1 4.80 0.02 A 103 ARG HBy H 1 2.06 0.02 A 103 ARG HBx H 1 1.49 0.02 A 103 ARG HDy H 1 3.03 0.02 A 103 ARG HDx H 1 2.82 0.02 A 103 ARG HE H 1 6.90 0.02 A 103 ARG HG2 H 1 1.57 0.02 A 103 ARG HG3 H 1 1.57 0.02 A 103 ARG C C 13 172.12 0.05 A 103 ARG CA C 13 56.23 0.05 A 103 ARG CB C 13 32.61 0.05 A 103 ARG CD C 13 44.02 0.05 A 103 ARG CG C 13 29.76 0.05 A 103 ARG N N 15 122.52 0.05 A 103 ARG NE N 15 115.10 0.05 A 104 THR H H 1 7.44 0.02 A 104 THR HA H 1 4.60 0.02 A 104 THR HB H 1 4.26 0.02 A 104 THR HG2% H 1 1.12 0.02 A 104 THR C C 13 171.89 0.05 A 104 THR CA C 13 61.27 0.05 A 104 THR CB C 13 72.49 0.05 A 104 THR CG2 C 13 22.35 0.05 A 104 THR N N 15 109.73 0.05 A 105 ASN H H 1 8.59 0.02 A 105 ASN HA H 1 4.79 0.02 A 105 ASN HB2 H 1 2.56 0.02 A 105 ASN HB3 H 1 2.70 0.02 A 105 ASN HD2x H 1 6.99 0.02 A 105 ASN HD2y H 1 7.66 0.02 A 105 ASN C C 13 174.15 0.05 A 105 ASN CA C 13 55.87 0.05 A 105 ASN CB C 13 39.26 0.05 A 105 ASN N N 15 119.36 0.05 A 105 ASN ND2 N 15 113.19 0.05 A 106 LEU H H 1 9.98 0.02 A 106 LEU HA H 1 3.68 0.02 A 106 LEU HBy H 1 1.92 0.02 A 106 LEU HBx H 1 1.78 0.02 A 106 LEU HD1% H 1 0.83 0.02 A 106 LEU HD2% H 1 0.54 0.02 A 106 LEU HG H 1 1.38 0.02 A 106 LEU C C 13 175.05 0.05 A 106 LEU CA C 13 56.79 0.05 A 106 LEU CB C 13 38.92 0.05 A 106 LEU CD1 C 13 25.48 0.05 A 106 LEU CD2 C 13 22.71 0.05 A 106 LEU CG C 13 27.55 0.05 A 106 LEU N N 15 118.23 0.05 A 107 CYS H H 1 8.25 0.02 A 107 CYS HA H 1 4.32 0.02 A 107 CYS HB2 H 1 3.18 0.02 A 107 CYS HB3 H 1 4.02 0.02 A 107 CYS C C 13 172.47 0.05 A 107 CYS CA C 13 58.37 0.05 A 107 CYS CB C 13 46.09 0.05 A 107 CYS N N 15 115.46 0.05 A 108 ASN H H 1 8.59 0.02 A 108 ASN HA H 1 4.43 0.02 A 108 ASN HB2 H 1 2.27 0.02 A 108 ASN HB3 H 1 2.78 0.02 A 108 ASN HD2x H 1 6.79 0.02 A 108 ASN HD2y H 1 7.59 0.02 A 108 ASN C C 13 172.21 0.05 A 108 ASN CA C 13 53.32 0.05 A 108 ASN CB C 13 37.29 0.05 A 108 ASN N N 15 118.04 0.05 A 108 ASN ND2 N 15 111.10 0.05 A 109 GLN H H 1 7.49 0.02 A 109 GLN HA H 1 3.38 0.02 A 109 GLN HB2 H 1 1.57 0.02 A 109 GLN HB3 H 1 1.35 0.02 A 109 GLN HE2x H 1 6.36 0.02 A 109 GLN HE2y H 1 6.75 0.02 A 109 GLN HGy H 1 1.03 0.02 A 109 GLN HGx H 1 0.81 0.02 A 109 GLN C C 13 172.30 0.05 A 109 GLN CA C 13 58.94 0.05 A 109 GLN CB C 13 28.77 0.05 A 109 GLN CG C 13 32.30 0.05 A 109 GLN N N 15 121.35 0.05 A 109 GLN NE2 N 15 108.90 0.05 A 110 TYR H H 1 7.83 0.02 A 110 TYR HA H 1 4.59 0.02 A 110 TYR HB2 H 1 2.51 0.02 A 110 TYR HB3 H 1 3.24 0.02 A 110 TYR HD1 H 1 6.96 0.02 A 110 TYR HD2 H 1 6.96 0.02 A 110 TYR CA C 13 56.49 0.05 A 110 TYR CB C 13 38.40 0.05 A 110 TYR N N 15 114.60 0.05 A 111 LEU H H 1 6.61 0.02 A 111 LEU HA H 1 4.17 0.02 A 111 LEU HBy H 1 1.46 0.02 A 111 LEU HBx H 1 1.33 0.02 A 111 LEU HDx% H 1 0.70 0.02 A 111 LEU HDy% H 1 0.68 0.02 A 111 LEU C C 13 172.88 0.05 A 111 LEU CA C 13 55.25 0.05 A 111 LEU CB C 13 43.40 0.05 A 111 LEU CDx C 13 23.31 0.05 A 111 LEU CDy C 13 25.03 0.05 A 111 LEU CG C 13 27.54 0.05 A 111 LEU N N 15 120.14 0.05 A 112 GLN H H 1 8.78 0.02 A 112 GLN HA H 1 4.57 0.02 A 112 GLN HB2 H 1 1.92 0.02 A 112 GLN HB3 H 1 1.78 0.02 A 112 GLN HE2x H 1 6.65 0.02 A 112 GLN HE2y H 1 7.37 0.02 A 112 GLN HG2 H 1 2.14 0.02 A 112 GLN HG3 H 1 2.14 0.02 A 112 GLN C C 13 169.48 0.05 A 112 GLN CA C 13 53.11 0.05 A 112 GLN CB C 13 30.00 0.05 A 112 GLN CG C 13 33.85 0.05 A 112 GLN N N 15 122.79 0.05 A 112 GLN NE2 N 15 111.30 0.05 A 113 PRO HA H 1 4.40 0.02 A 113 PRO HB2 H 1 1.70 0.02 A 113 PRO HB3 H 1 2.13 0.02 A 113 PRO HDy H 1 3.39 0.02 A 113 PRO HDx H 1 3.29 0.02 A 113 PRO CA C 13 63.04 0.05 A 113 PRO CB C 13 32.40 0.05 A 113 PRO CD C 13 50.52 0.05 A 113 PRO CG C 13 27.56 0.05 A 114 THR H H 1 8.18 0.02 A 114 THR HA H 1 4.40 0.02 A 114 THR HB H 1 4.00 0.02 A 114 THR HG2% H 1 1.12 0.02 A 114 THR C C 13 172.18 0.05 A 114 THR CA C 13 60.96 0.05 A 114 THR CB C 13 71.29 0.05 A 114 THR CG2 C 13 21.89 0.05 A 114 THR N N 15 111.93 0.05 A 115 LEU H H 1 8.58 0.02 A 115 LEU HA H 1 4.30 0.02 A 115 LEU HB2 H 1 1.49 0.02 A 115 LEU HB3 H 1 1.23 0.02 A 115 LEU HD1% H 1 0.74 0.02 A 115 LEU HD2% H 1 0.67 0.02 A 115 LEU C C 13 171.74 0.05 A 115 LEU CA C 13 53.23 0.05 A 115 LEU CB C 13 41.90 0.05 A 115 LEU CD1 C 13 26.28 0.05 A 115 LEU CD2 C 13 24.56 0.05 A 115 LEU CG C 13 26.74 0.05 A 115 LEU N N 15 125.29 0.05 A 116 PRO HA H 1 4.63 0.02 A 116 PRO HBy H 1 2.27 0.02 A 116 PRO HBx H 1 1.85 0.02 A 116 PRO HDy H 1 3.76 0.02 A 116 PRO HDx H 1 3.30 0.02 A 116 PRO HGy H 1 2.03 0.02 A 116 PRO HGx H 1 1.95 0.02 A 116 PRO CA C 13 61.58 0.05 A 116 PRO CB C 13 30.98 0.05 A 116 PRO CD C 13 50.53 0.05 A 116 PRO CG C 13 27.55 0.05 A 117 PRO HA H 1 4.35 0.02 A 117 PRO HB2 H 1 1.77 0.02 A 117 PRO HB3 H 1 2.21 0.02 A 117 PRO CA C 13 63.01 0.05 A 117 PRO CB C 13 32.30 0.05 A 117 PRO CD C 13 50.53 0.05 A 117 PRO CG C 13 27.63 0.05 A 118 VAL H H 1 8.19 0.02 A 118 VAL HA H 1 3.90 0.02 A 118 VAL HB H 1 1.90 0.02 A 118 VAL HGx% H 1 0.80 0.02 A 118 VAL HGy% H 1 0.85 0.02 A 118 VAL C C 13 173.27 0.05 A 118 VAL CA C 13 62.89 0.05 A 118 VAL CB C 13 32.98 0.05 A 118 VAL CGy C 13 21.08 0.05 A 118 VAL N N 15 120.46 0.05 A 119 VAL H H 1 8.18 0.02 A 119 VAL HA H 1 4.04 0.02 A 119 VAL HB H 1 1.91 0.02 A 119 VAL HGx% H 1 0.77 0.02 A 119 VAL HGy% H 1 0.81 0.02 A 119 VAL C C 13 172.96 0.05 A 119 VAL CA C 13 62.25 0.05 A 119 VAL CB C 13 33.28 0.05 A 119 VAL CGx C 13 21.35 0.05 A 119 VAL N N 15 125.03 0.05 A 120 ILE H H 1 8.22 0.02 A 120 ILE HA H 1 4.11 0.02 A 120 ILE HB H 1 1.76 0.02 A 120 ILE HD1% H 1 0.76 0.02 A 120 ILE C C 13 173.44 0.05 A 120 ILE CA C 13 61.05 0.05 A 120 ILE CB C 13 39.03 0.05 A 120 ILE CD1 C 13 12.82 0.05 A 120 ILE CG1 C 13 27.36 0.05 A 120 ILE CG2 C 13 17.69 0.05 A 120 ILE N N 15 125.69 0.05 A 121 GLY H H 1 8.19 0.02 A 121 GLY HAy H 1 4.05 0.02 A 121 GLY HAx H 1 3.94 0.02 A 121 GLY C C 13 169.08 0.05 A 121 GLY CA C 13 44.85 0.05 A 121 GLY N N 15 113.15 0.05 A 122 PRO HA H 1 4.27 0.02 A 122 PRO HB2 H 1 1.63 0.02 A 122 PRO HB3 H 1 2.09 0.02 A 122 PRO HDy H 1 3.47 0.02 A 122 PRO CA C 13 63.34 0.05 A 122 PRO CB C 13 32.16 0.05 A 122 PRO CD C 13 49.93 0.05 A 122 PRO CG C 13 27.27 0.05 A 123 PHE H H 1 8.14 0.02 A 123 PHE HA H 1 4.51 0.02 A 123 PHE HB2 H 1 2.89 0.02 A 123 PHE HB3 H 1 2.89 0.02 A 123 PHE C C 13 172.70 0.05 A 123 PHE CA C 13 58.04 0.05 A 123 PHE CB C 13 39.71 0.05 A 123 PHE N N 15 119.41 0.05 A 124 PHE H H 1 8.00 0.02 A 124 PHE HA H 1 4.49 0.02 A 124 PHE HB2 H 1 2.97 0.02 A 124 PHE HB3 H 1 2.97 0.02 A 124 PHE C C 13 172.14 0.05 A 124 PHE CA C 13 58.00 0.05 A 124 PHE CB C 13 40.14 0.05 A 124 PHE N N 15 122.18 0.05 A 125 ASP H H 1 8.10 0.02 A 125 ASP HA H 1 4.40 0.02 A 125 ASP HBx H 1 2.55 0.02 A 125 ASP HBy H 1 2.63 0.02 A 125 ASP C C 13 173.87 0.05 A 125 ASP CA C 13 54.47 0.05 A 125 ASP CB C 13 41.39 0.05 A 125 ASP N N 15 123.00 0.05 A 126 GLY H H 1 8.01 0.02 A 126 GLY HAy H 1 3.86 0.02 A 126 GLY C C 13 171.64 0.05 A 126 GLY CA C 13 45.86 0.05 A 126 GLY N N 15 109.28 0.05 A 127 SER H H 1 8.11 0.02 A 127 SER HA H 1 4.32 0.02 A 127 SER HB2 H 1 3.76 0.02 A 127 SER HB3 H 1 3.76 0.02 A 127 SER C C 13 171.52 0.05 A 127 SER CA C 13 59.19 0.05 A 127 SER CB C 13 64.24 0.05 A 127 SER N N 15 115.76 0.05 A 128 ILE H H 1 7.96 0.02 A 128 ILE HA H 1 4.11 0.02 A 128 ILE HB H 1 1.79 0.02 A 128 ILE HD1% H 1 0.77 0.02 A 128 ILE HG1y H 1 1.39 0.02 A 128 ILE HG1x H 1 1.09 0.02 A 128 ILE HG2% H 1 0.82 0.02 A 128 ILE C C 13 172.59 0.05 A 128 ILE CA C 13 61.80 0.05 A 128 ILE CB C 13 38.82 0.05 A 128 ILE CD1 C 13 13.15 0.05 A 128 ILE CG1 C 13 27.42 0.05 A 128 ILE CG2 C 13 17.71 0.05 A 128 ILE N N 15 122.05 0.05 A 129 ARG H H 1 7.85 0.02 A 129 ARG HA H 1 4.12 0.02 A 129 ARG HBy H 1 1.73 0.02 A 129 ARG HBx H 1 1.60 0.02 A 129 ARG HD2 H 1 3.05 0.02 A 129 ARG HD3 H 1 3.05 0.02 A 129 ARG HE H 1 7.07 0.02 A 129 ARG HG2 H 1 1.46 0.02 A 129 ARG HG3 H 1 1.46 0.02 A 129 ARG C C 13 178.04 0.05 A 129 ARG CA C 13 57.54 0.05 A 129 ARG CB C 13 32.10 0.05 A 129 ARG CD C 13 43.67 0.05 A 129 ARG CG C 13 27.34 0.05 A 129 ARG N N 15 130.07 0.05 A 129 ARG NE N 15 114.78 0.05 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 65 GLU H A 65 GLU HG2 1.0 0.0 4.8 2 1 A 65 GLU H A 65 GLU HG3 1.0 0.0 4.8 3 2 A 85 PHE H A 85 PHE HB2 1.0 0.0 3.5 4 2 A 85 PHE H A 85 PHE HB3 1.0 0.0 3.5 5 3 A 129 ARG H A 129 ARG HA 1.0 0.0 3.2 6 4 A 62 ILE H A 62 ILE HG2% 1.0 0.0 3.5 7 5 A 53 CYS H A 53 CYS HA 1.0 0.0 3.2 8 6 A 33 LEU H A 33 LEU HB2 1.0 0.0 2.7 9 7 A 31 ASP H A 31 ASP HB2 1.0 0.0 3.5 10 7 A 31 ASP H A 31 ASP HB3 1.0 0.0 3.5 11 8 A 68 GLN H A 68 GLN HG2 1.0 2.7 5.0 12 8 A 68 GLN H A 68 GLN HG3 1.0 2.7 5.0 13 9 A 110 TYR H A 110 TYR HD2 1.0 3.0 3.5 14 10 A 30 GLU H A 30 GLU HBy 1.0 0.0 3.5 15 10 A 30 GLU H A 30 GLU HBx 1.0 0.0 3.5 16 11 A 98 THR H A 98 THR HG2% 1.0 0.0 4.8 17 12 A 66 ASP H A 66 ASP HB2 1.0 0.0 4.0 18 13 A 75 SER H A 75 SER HA 1.0 0.0 4.0 19 14 A 49 ILE H A 49 ILE HA 1.0 0.0 3.2 20 15 A 92 LYS H A 92 LYS HG2 1.0 0.0 4.8 21 15 A 92 LYS H A 92 LYS HG3 1.0 0.0 4.8 22 16 A 79 LYS H A 79 LYS HA 1.0 0.0 4.0 23 17 A 96 ARG HA A 96 ARG HDy 1.0 2.7 7.7 24 17 A 96 ARG HA A 96 ARG HDx 1.0 2.7 7.7 25 18 A 55 THR H A 55 THR HG2% 1.0 0.0 3.5 26 19 A 97 ARG H A 97 ARG HB2 1.0 0.0 4.0 27 19 A 97 ARG H A 97 ARG HB3 1.0 0.0 4.0 28 20 A 58 HIS H A 58 HIS HB2 1.0 0.0 4.0 29 20 A 58 HIS H A 58 HIS HB3 1.0 0.0 4.0 30 21 A 61 ALA H A 61 ALA HB% 1.0 0.0 3.5 31 22 A 105 ASN H A 105 ASN HA 1.0 0.0 3.2 32 23 A 35 PHE H A 35 PHE HD2 1.0 3.2 8.2 33 24 A 109 GLN H A 109 GLN HGy 1.0 0.0 4.8 34 24 A 109 GLN H A 109 GLN HGx 1.0 0.0 4.8 35 25 A 114 THR H A 114 THR HB 1.0 0.0 4.0 36 26 A 83 SER H A 83 SER HA 1.0 0.0 3.2 37 27 A 69 GLY H A 69 GLY HA3 1.0 0.0 3.2 38 28 A 30 GLU H A 30 GLU HG2 1.0 0.0 4.0 39 28 A 30 GLU H A 30 GLU HG3 1.0 0.0 4.0 40 29 A 76 GLY H A 76 GLY HA3 1.0 0.0 4.0 41 29 A 76 GLY H A 76 GLY HA2 1.0 0.0 4.0 42 30 A 66 ASP H A 66 ASP HB3 1.0 0.0 3.2 43 31 A 112 GLN H A 112 GLN HG2 1.0 0.0 5.8 44 31 A 112 GLN H A 112 GLN HG3 1.0 0.0 5.8 45 32 A 94 GLN H A 94 GLN HB3 1.0 0.0 3.2 46 33 A 114 THR H A 114 THR HG2% 1.0 0.0 4.8 47 34 A 33 LEU H A 33 LEU HG 1.0 0.0 3.2 48 35 A 123 PHE H A 123 PHE HB2 1.0 0.0 4.0 49 35 A 123 PHE H A 123 PHE HB3 1.0 0.0 4.0 50 36 A 95 LEU H A 95 LEU HG 1.0 0.0 4.5 51 37 A 67 ASP H A 67 ASP HB2 1.0 0.0 3.5 52 37 A 67 ASP H A 67 ASP HB3 1.0 0.0 3.5 53 38 A 49 ILE H A 49 ILE HG2% 1.0 0.0 4.8 54 39 A 53 CYS H A 53 CYS HB3 1.0 0.0 5.0 55 40 A 49 ILE H A 49 ILE HB 1.0 0.0 3.2 56 41 A 80 TYR H A 80 TYR HB2 1.0 0.0 3.5 57 41 A 80 TYR H A 80 TYR HB3 1.0 0.0 3.5 58 42 A 96 ARG HA A 96 ARG H 1.0 0.0 3.2 59 43 A 89 ASP H A 89 ASP HB2 1.0 0.0 3.5 60 43 A 89 ASP H A 89 ASP HB3 1.0 0.0 3.5 61 44 A 66 ASP H A 66 ASP HA 1.0 0.0 3.2 62 45 A 38 CYS H A 38 CYS HA 1.0 0.0 4.0 63 46 A 60 PHE H A 60 PHE HA 1.0 0.0 4.0 64 47 A 94 GLN H A 94 GLN HB2 1.0 0.0 3.2 65 48 A 63 ILE H A 63 ILE HG2% 1.0 0.0 3.5 66 49 A 78 MET H A 78 MET HG2 1.0 2.7 4.8 67 49 A 78 MET H A 78 MET HG3 1.0 2.7 4.8 68 50 A 124 PHE H A 124 PHE HB2 1.0 0.0 4.0 69 50 A 124 PHE H A 124 PHE HB3 1.0 0.0 4.0 70 51 A 37 LYS H A 37 LYS HGy 1.0 0.0 4.8 71 51 A 37 LYS H A 37 LYS HGx 1.0 0.0 4.8 72 52 A 128 ILE H A 128 ILE HA 1.0 0.0 4.0 73 53 A 71 THR H A 71 THR HG2% 1.0 0.0 4.8 74 54 A 109 GLN H A 109 GLN HA 1.0 0.0 3.2 75 55 A 49 ILE H A 49 ILE HG1x 1.0 0.0 4.8 76 55 A 49 ILE H A 49 ILE HG1y 1.0 0.0 4.8 77 56 A 129 ARG H A 129 ARG HBy 1.0 0.0 4.8 78 56 A 129 ARG H A 129 ARG HBx 1.0 0.0 4.8 79 57 A 98 THR H A 98 THR HB 1.0 0.0 3.2 80 58 A 95 LEU H A 95 LEU HB2 1.0 0.0 3.5 81 58 A 95 LEU H A 95 LEU HB3 1.0 0.0 3.5 82 59 A 88 LYS H A 88 LYS HG2 1.0 0.0 4.8 83 59 A 88 LYS H A 88 LYS HG3 1.0 0.0 4.8 84 60 A 49 ILE H A 49 ILE HD1% 1.0 0.0 4.8 85 61 A 77 CYS H A 77 CYS HA 1.0 2.7 4.0 86 62 A 81 GLU H A 81 GLU HBy 1.0 0.0 4.0 87 62 A 81 GLU H A 81 GLU HBx 1.0 0.0 4.0 88 63 A 96 ARG H A 96 ARG HB2 1.0 0.0 3.5 89 63 A 96 ARG H A 96 ARG HB3 1.0 0.0 3.5 90 64 A 47 ASP H A 47 ASP HB3 1.0 0.0 2.7 91 65 A 90 SER H A 90 SER HB2 1.0 0.0 3.5 92 65 A 90 SER H A 90 SER HB3 1.0 0.0 3.5 93 66 A 99 ILE H A 99 ILE HG2% 1.0 0.0 4.0 94 67 A 93 ALA H A 93 ALA HB% 1.0 0.0 3.5 95 68 A 71 THR H A 71 THR HA 1.0 0.0 4.0 96 69 A 127 SER H A 127 SER HB2 1.0 0.0 4.0 97 69 A 127 SER H A 127 SER HB3 1.0 0.0 4.0 98 70 A 36 LEU H A 36 LEU HA 1.0 0.0 3.2 99 71 A 106 LEU H A 106 LEU HA 1.0 0.0 2.7 100 72 A 128 ILE H A 128 ILE HB 1.0 0.0 3.2 101 73 A 86 GLN H A 86 GLN HB2 1.0 0.0 3.2 102 74 A 128 ILE H A 128 ILE HG1y 1.0 0.0 4.8 103 74 A 128 ILE H A 128 ILE HG1x 1.0 0.0 4.8 104 75 A 118 VAL H A 118 VAL HA 1.0 0.0 4.0 105 76 A 55 THR H A 55 THR HB 1.0 0.0 5.0 106 77 A 81 GLU H A 81 GLU HA 1.0 0.0 3.2 107 78 A 62 ILE H A 62 ILE HA 1.0 0.0 4.0 108 79 A 52 THR H A 52 THR HB 1.0 0.0 4.0 109 80 A 72 THR H A 72 THR HA 1.0 0.0 4.0 110 81 A 54 ILE H A 54 ILE HA 1.0 2.7 4.0 111 82 A 129 ARG H A 129 ARG HG2 1.0 0.0 5.8 112 82 A 129 ARG H A 129 ARG HG3 1.0 0.0 5.8 113 83 A 50 ASN HA A 50 ASN H 1.0 0.0 2.7 114 84 A 75 SER H A 75 SER HB3 1.0 0.0 5.0 115 85 A 39 TYR H A 39 TYR HB2 1.0 0.0 3.2 116 86 A 59 CYS H A 59 CYS HA 1.0 0.0 4.0 117 87 A 39 TYR H A 39 TYR HB3 1.0 0.0 3.2 118 88 A 60 PHE H A 60 PHE HBy 1.0 0.0 4.0 119 88 A 60 PHE H A 60 PHE HBx 1.0 0.0 4.0 120 89 A 97 ARG H A 97 ARG HD2 1.0 0.0 5.8 121 89 A 97 ARG H A 97 ARG HD3 1.0 0.0 5.8 122 90 A 84 ASP H A 84 ASP HBy 1.0 0.0 3.5 123 90 A 84 ASP H A 84 ASP HBx 1.0 0.0 3.5 124 91 A 67 ASP H A 67 ASP HA 1.0 0.0 3.2 125 92 A 80 TYR H A 80 TYR HA 1.0 0.0 3.2 126 93 A 101 CYS H A 101 CYS HA 1.0 0.0 5.0 127 94 A 78 MET H A 78 MET HB2 1.0 0.0 3.2 128 95 A 32 THR H A 32 THR HA 1.0 0.0 3.2 129 96 A 102 CYS H A 102 CYS HA 1.0 0.0 4.0 130 97 A 101 CYS H A 101 CYS HB2 1.0 0.0 4.0 131 97 A 101 CYS H A 101 CYS HB3 1.0 0.0 4.0 132 98 A 55 THR H A 55 THR HA 1.0 0.0 4.0 133 99 A 98 THR H A 98 THR HA 1.0 0.0 4.0 134 100 A 109 GLN H A 109 GLN HB3 1.0 0.0 2.7 135 101 A 97 ARG H A 97 ARG HA 1.0 0.0 5.0 136 102 A 97 ARG H A 97 ARG HG2 1.0 2.7 4.8 137 102 A 97 ARG H A 97 ARG HG3 1.0 2.7 4.8 138 103 A 37 LYS H A 37 LYS HA 1.0 0.0 4.0 139 104 A 86 GLN H A 86 GLN HB3 1.0 0.0 4.0 140 105 A 85 PHE H A 85 PHE HA 1.0 0.0 3.2 141 106 A 79 LYS H A 79 LYS HE2 1.0 5.0 7.7 142 106 A 79 LYS H A 79 LYS HE3 1.0 5.0 7.7 143 107 A 112 GLN H A 112 GLN HB3 1.0 0.0 4.0 144 108 A 100 GLU H A 100 GLU HA 1.0 0.0 4.0 145 109 A 126 GLY H A 126 GLY HAx 1.0 0.0 3.5 146 109 A 126 GLY H A 126 GLY HAy 1.0 0.0 3.5 147 110 A 70 GLU H A 70 GLU HGy 1.0 0.0 4.0 148 110 A 70 GLU H A 70 GLU HGx 1.0 0.0 4.0 149 111 A 99 ILE H A 99 ILE HB 1.0 0.0 3.2 150 112 A 123 PHE H A 123 PHE HA 1.0 0.0 3.2 151 113 A 83 SER H A 83 SER HB2 1.0 0.0 4.0 152 113 A 83 SER H A 83 SER HB3 1.0 0.0 4.0 153 114 A 71 THR H A 71 THR HB 1.0 0.0 4.0 154 115 A 89 ASP H A 89 ASP HA 1.0 0.0 3.2 155 116 A 109 GLN H A 109 GLN HB2 1.0 0.0 2.7 156 117 A 59 CYS H A 59 CYS HB2 1.0 2.5 7.5 157 118 A 103 ARG H A 103 ARG HE 1.0 5.0 10.0 158 119 A 58 HIS H A 58 HIS HA 1.0 0.0 3.2 159 120 A 103 ARG H A 103 ARG HG2 1.0 2.7 7.7 160 121 A 70 GLU H A 70 GLU HBy 1.0 0.0 3.5 161 121 A 70 GLU H A 70 GLU HBx 1.0 0.0 3.5 162 122 A 41 SER H A 41 SER HB2 1.0 0.0 4.0 163 122 A 41 SER H A 41 SER HB3 1.0 0.0 4.0 164 123 A 47 ASP H A 47 ASP HA 1.0 0.0 3.2 165 124 A 86 GLN H A 86 GLN HG2 1.0 0.0 4.0 166 124 A 86 GLN H A 86 GLN HG3 1.0 0.0 4.0 167 125 A 88 LYS H A 88 LYS HA 1.0 0.0 3.2 168 126 A 35 PHE H A 35 PHE HD1 1.0 2.7 3.5 169 127 A 52 THR H A 52 THR HG2% 1.0 0.0 4.0 170 128 A 53 CYS H A 53 CYS HB2 1.0 0.0 5.0 171 129 A 57 GLY H A 57 GLY HA3 1.0 0.0 3.5 172 129 A 57 GLY H A 57 GLY HA2 1.0 0.0 3.5 173 130 A 87 CYS H A 87 CYS HBy 1.0 0.0 4.0 174 130 A 87 CYS H A 87 CYS HBx 1.0 0.0 4.0 175 131 A 70 GLU H A 70 GLU HA 1.0 0.0 3.2 176 132 A 78 MET H A 78 MET HA 1.0 0.0 3.2 177 133 A 52 THR H A 52 THR HA 1.0 0.0 3.2 178 134 A 114 THR H A 114 THR HA 1.0 0.0 4.0 179 135 A 100 GLU H A 100 GLU HG2 1.0 0.0 4.8 180 135 A 100 GLU H A 100 GLU HG3 1.0 0.0 4.8 181 136 A 78 MET H A 78 MET HB3 1.0 0.0 4.0 182 137 A 56 ASN H A 56 ASN HB2 1.0 0.0 4.0 183 138 A 121 GLY H A 121 GLY HAy 1.0 0.0 4.0 184 138 A 121 GLY H A 121 GLY HAx 1.0 0.0 4.0 185 139 A 88 LYS H A 88 LYS HBy 1.0 0.0 3.5 186 139 A 88 LYS H A 88 LYS HBx 1.0 0.0 3.5 187 140 A 102 CYS H A 102 CYS HB3 1.0 0.0 4.8 188 140 A 102 CYS H A 102 CYS HB2 1.0 0.0 4.8 189 141 A 125 ASP H A 125 ASP HBx 1.0 0.0 4.0 190 141 A 125 ASP H A 125 ASP HBy 1.0 0.0 4.0 191 142 A 56 ASN H A 56 ASN HD2y 1.0 3.5 8.5 192 142 A 56 ASN H A 56 ASN HD2x 1.0 3.5 8.5 193 143 A 81 GLU H A 81 GLU HGx 1.0 0.0 4.0 194 143 A 81 GLU H A 81 GLU HGy 1.0 0.0 4.0 195 144 A 103 ARG H A 103 ARG HG3 1.0 2.7 7.7 196 145 A 37 LYS H A 37 LYS HB3 1.0 0.0 4.0 197 145 A 37 LYS H A 37 LYS HB2 1.0 0.0 4.0 198 146 A 92 LYS H A 92 LYS HBy 1.0 0.0 4.0 199 146 A 92 LYS H A 92 LYS HBx 1.0 0.0 4.0 200 147 A 103 ARG H A 103 ARG HDy 1.0 4.0 9.0 201 147 A 103 ARG H A 103 ARG HDx 1.0 4.0 9.0 202 148 A 33 LEU H A 33 LEU HA 1.0 0.0 4.0 203 149 A 107 CYS H A 107 CYS HB3 1.0 0.0 2.7 204 150 A 56 ASN H A 56 ASN HB3 1.0 0.0 4.0 205 151 A 46 ASP H A 46 ASP HBy 1.0 0.0 3.5 206 151 A 46 ASP H A 46 ASP HBx 1.0 0.0 3.5 207 152 A 35 PHE H A 35 PHE HA 1.0 0.0 3.2 208 153 A 99 ILE H A 99 ILE HD1% 1.0 0.0 5.8 209 154 A 73 LEU H A 73 LEU HA 1.0 0.0 4.0 210 155 A 94 GLN H A 94 GLN HG2 1.0 0.0 4.8 211 155 A 94 GLN H A 94 GLN HG3 1.0 0.0 4.8 212 156 A 115 LEU H A 115 LEU HB2 1.0 0.0 2.7 213 157 A 46 ASP H A 46 ASP HA 1.0 0.0 3.2 214 158 A 31 ASP H A 31 ASP HA 1.0 0.0 3.2 215 159 A 68 GLN H A 68 GLN HA 1.0 0.0 3.2 216 160 A 115 LEU H A 115 LEU HD1% 1.0 0.0 4.0 217 161 A 60 PHE H A 60 PHE HD1 1.0 2.7 5.9 218 162 A 103 ARG H A 103 ARG HBy 1.0 0.0 4.0 219 162 A 103 ARG H A 103 ARG HBx 1.0 0.0 4.0 220 163 A 61 ALA H A 61 ALA HA 1.0 0.0 4.0 221 164 A 69 GLY H A 69 GLY HA2 1.0 0.0 2.7 222 165 A 38 CYS H A 38 CYS HBy 1.0 0.0 4.8 223 165 A 38 CYS H A 38 CYS HBx 1.0 0.0 4.8 224 166 A 64 GLU H A 64 GLU HA 1.0 0.0 4.0 225 167 A 84 ASP H A 84 ASP HA 1.0 0.0 3.2 226 168 A 90 SER H A 89 ASP HB2 1.0 0.0 4.0 227 168 A 89 ASP HB3 A 90 SER H 1.0 0.0 4.0 228 169 A 112 GLN HA A 113 PRO HDy 1.0 0.0 2.7 229 170 A 81 GLU H A 80 TYR HA 1.0 0.0 2.7 230 171 A 66 ASP H A 65 GLU HG2 1.0 2.7 6.7 231 171 A 65 GLU HG3 A 66 ASP H 1.0 2.7 6.7 232 172 A 98 THR HB A 99 ILE H 1.0 0.0 5.0 233 173 A 68 GLN H A 69 GLY H 1.0 0.0 2.7 234 174 A 101 CYS H A 100 GLU HA 1.0 0.0 2.7 235 175 A 61 ALA H A 60 PHE HA 1.0 0.0 2.7 236 176 A 109 GLN H A 108 ASN H 1.0 0.0 2.7 237 177 A 101 CYS H A 100 GLU HB3 1.0 0.0 4.0 238 178 A 77 CYS H A 76 GLY HA3 1.0 0.0 3.5 239 178 A 76 GLY HA2 A 77 CYS H 1.0 0.0 3.5 240 179 A 55 THR H A 54 ILE HA 1.0 0.0 2.7 241 180 A 114 THR H A 113 PRO HA 1.0 0.0 2.7 242 181 A 35 PHE H A 34 PRO HB3 1.0 0.0 4.0 243 182 A 46 ASP H A 45 PRO HB2 1.0 0.0 4.0 244 183 A 119 VAL H A 118 VAL HB 1.0 0.0 3.5 245 184 A 94 GLN H A 93 ALA HA 1.0 0.0 2.7 246 185 A 68 GLN H A 67 ASP HA 1.0 2.7 3.5 247 186 A 114 THR HB A 115 LEU H 1.0 0.0 4.0 248 187 A 110 TYR H A 109 GLN HB3 1.0 2.2 2.7 249 188 A 107 CYS H A 106 LEU HBy 1.0 0.0 4.8 250 188 A 107 CYS H A 106 LEU HBx 1.0 0.0 4.8 251 189 A 79 LYS HA A 80 TYR H 1.0 0.0 2.7 252 190 A 60 PHE H A 59 CYS HB3 1.0 0.0 3.2 253 191 A 98 THR H A 97 ARG HG2 1.0 2.7 4.0 254 191 A 98 THR H A 97 ARG HG3 1.0 2.7 4.0 255 192 A 114 THR H A 113 PRO HB2 1.0 0.0 4.0 256 193 A 38 CYS H A 37 LYS HD2 1.0 3.2 8.2 257 193 A 38 CYS H A 37 LYS HD3 1.0 3.2 8.2 258 194 A 71 THR H A 70 GLU HA 1.0 0.0 2.7 259 195 A 69 GLY H A 70 GLU HBy 1.0 0.0 5.8 260 195 A 69 GLY H A 70 GLU HBx 1.0 0.0 5.8 261 196 A 99 ILE H A 98 THR HA 1.0 0.0 2.7 262 197 A 78 MET H A 77 CYS HB3 1.0 0.0 4.0 263 198 A 53 CYS HA A 54 ILE H 1.0 0.0 2.7 264 199 A 30 GLU H A 29 PRO HA 1.0 0.0 2.7 265 200 A 33 LEU H A 34 PRO HD3 1.0 0.0 5.0 266 201 A 98 THR HG2% A 99 ILE H 1.0 0.0 4.0 267 202 A 95 LEU H A 96 ARG H 1.0 0.0 5.0 268 203 A 76 GLY H A 75 SER HB2 1.0 0.0 3.2 269 204 A 87 CYS H A 86 GLN HB2 1.0 0.0 4.8 270 204 A 87 CYS H A 86 GLN HB3 1.0 0.0 4.8 271 205 A 47 ASP H A 48 ALA H 1.0 0.0 4.0 272 206 A 129 ARG H A 128 ILE HG2% 1.0 0.0 5.8 273 207 A 53 CYS H A 54 ILE H 1.0 0.0 5.0 274 208 A 37 LYS H A 36 LEU HB2 1.0 0.0 4.5 275 209 A 106 LEU H A 107 CYS H 1.0 0.0 3.2 276 210 A 58 HIS HB3 A 59 CYS H 1.0 0.0 3.2 277 211 A 96 ARG H A 95 LEU HB2 1.0 0.0 4.0 278 211 A 96 ARG H A 95 LEU HB3 1.0 0.0 4.0 279 212 A 110 TYR H A 111 LEU H 1.0 0.0 2.7 280 213 A 102 CYS H A 101 CYS HB2 1.0 0.0 4.0 281 213 A 102 CYS H A 101 CYS HB3 1.0 0.0 4.0 282 214 A 105 ASN HA A 106 LEU H 1.0 0.0 2.7 283 215 A 87 CYS H A 86 GLN HA 1.0 0.0 2.7 284 216 A 105 ASN H A 104 THR HB 1.0 2.8 3.2 285 217 A 96 ARG H A 95 LEU HDx% 1.0 0.0 6.5 286 217 A 96 ARG H A 95 LEU HDy% 1.0 0.0 6.5 287 218 A 90 SER H A 91 PRO HD3 1.0 0.0 5.0 288 219 A 35 PHE HD2 A 36 LEU HB2 1.0 3.2 5.0 289 220 A 89 ASP H A 90 SER HA 1.0 0.0 5.0 290 221 A 104 THR H A 103 ARG HA 1.0 0.0 2.7 291 222 A 69 GLY H A 68 GLN HB2 1.0 0.0 5.0 292 223 A 95 LEU H A 94 GLN HG2 1.0 0.0 5.8 293 223 A 95 LEU H A 94 GLN HG3 1.0 0.0 5.8 294 224 A 89 ASP H A 88 LYS HD2 1.0 0.0 5.8 295 224 A 89 ASP H A 88 LYS HD3 1.0 0.0 5.8 296 225 A 109 GLN H A 108 ASN HA 1.0 0.0 3.5 297 226 A 53 CYS H A 52 THR HB 1.0 0.0 4.0 298 227 A 38 CYS H A 37 LYS HA 1.0 0.0 2.7 299 228 A 73 LEU H A 72 THR HG2% 1.0 0.0 4.8 300 229 A 69 GLY H A 68 GLN HG2 1.0 0.0 5.8 301 229 A 68 GLN HG3 A 69 GLY H 1.0 0.0 5.8 302 230 A 85 PHE H A 84 ASP HA 1.0 2.7 7.7 303 231 A 68 GLN H A 69 GLY HA3 1.0 0.0 5.8 304 231 A 68 GLN H A 69 GLY HA2 1.0 0.0 5.8 305 232 A 54 ILE H A 53 CYS HB2 1.0 0.0 3.2 306 233 A 98 THR H A 97 ARG HA 1.0 0.0 2.7 307 234 A 75 SER HA A 76 GLY H 1.0 0.0 2.7 308 235 A 31 ASP H A 30 GLU H 1.0 0.0 3.2 309 236 A 121 GLY H A 120 ILE HA 1.0 0.0 2.7 310 237 A 46 ASP H A 45 PRO HA 1.0 0.0 2.7 311 238 A 92 LYS H A 93 ALA H 1.0 0.0 4.0 312 239 A 47 ASP H A 48 ALA HB% 1.0 0.0 4.8 313 240 A 79 LYS H A 78 MET HG2 1.0 0.0 4.8 314 240 A 79 LYS H A 78 MET HG3 1.0 0.0 4.8 315 241 A 105 ASN H A 104 THR HA 1.0 0.0 2.3 316 242 A 86 GLN H A 87 CYS H 1.0 0.0 4.0 317 243 A 78 MET H A 77 CYS HA 1.0 0.0 2.7 318 244 A 85 PHE H A 84 ASP HBy 1.0 0.0 4.8 319 244 A 85 PHE H A 84 ASP HBx 1.0 0.0 4.8 320 245 A 110 TYR H A 109 GLN H 1.0 0.0 3.2 321 246 A 62 ILE H A 61 ALA HB% 1.0 0.0 4.0 322 247 A 120 ILE H A 119 VAL HA 1.0 0.0 2.7 323 248 A 73 LEU H A 72 THR HB 1.0 0.0 4.0 324 249 A 71 THR HA A 72 THR H 1.0 0.0 2.7 325 250 A 60 PHE H A 59 CYS HA 1.0 0.0 2.7 326 251 A 66 ASP H A 65 GLU HB2 1.0 0.0 4.5 327 252 A 64 GLU H A 63 ILE HA 1.0 0.0 2.7 328 253 A 100 GLU H A 99 ILE HA 1.0 0.0 2.7 329 254 A 80 TYR H A 79 LYS HD2 1.0 0.0 4.8 330 254 A 80 TYR H A 79 LYS HD3 1.0 0.0 4.8 331 255 A 94 GLN H A 95 LEU H 1.0 3.2 5.0 332 256 A 72 THR HA A 73 LEU H 1.0 0.0 2.7 333 257 A 104 THR H A 103 ARG HG3 1.0 4.0 7.0 334 257 A 104 THR H A 103 ARG HG2 1.0 4.0 7.0 335 258 A 80 TYR H A 79 LYS HB2 1.0 0.0 4.0 336 258 A 80 TYR H A 79 LYS HB3 1.0 0.0 4.0 337 259 A 39 TYR H A 38 CYS HBy 1.0 0.0 4.0 338 259 A 39 TYR H A 38 CYS HBx 1.0 0.0 4.0 339 260 A 41 SER H A 40 CYS HB2 1.0 0.0 4.0 340 260 A 41 SER H A 40 CYS HB3 1.0 0.0 4.0 341 261 A 125 ASP H A 124 PHE HA 1.0 0.0 2.7 342 262 A 104 THR H A 103 ARG HBy 1.0 0.0 4.8 343 262 A 103 ARG HBx A 104 THR H 1.0 0.0 4.8 344 263 A 38 CYS H A 37 LYS HB3 1.0 0.0 4.8 345 263 A 38 CYS H A 37 LYS HB2 1.0 0.0 4.8 346 264 A 103 ARG H A 104 THR H 1.0 0.0 3.2 347 265 A 118 VAL H A 117 PRO HA 1.0 0.0 2.7 348 266 A 94 GLN HB3 A 95 LEU H 1.0 0.0 5.0 349 267 A 90 SER H A 89 ASP HA 1.0 0.0 2.7 350 268 A 85 PHE H A 86 GLN HA 1.0 0.0 5.0 351 269 A 81 GLU H A 80 TYR HD% 1.0 0.0 4.8 352 270 A 103 ARG H A 104 THR HG2% 1.0 0.0 5.0 353 271 A 81 GLU H A 80 TYR HB2 1.0 0.0 4.0 354 271 A 80 TYR HB3 A 81 GLU H 1.0 0.0 4.0 355 272 A 61 ALA H A 60 PHE HD2 1.0 0.0 4.0 356 273 A 31 ASP H A 30 GLU HBy 1.0 0.0 5.8 357 273 A 31 ASP H A 30 GLU HBx 1.0 0.0 5.8 358 274 A 107 CYS H A 108 ASN H 1.0 0.0 3.2 359 275 A 89 ASP H A 88 LYS HBy 1.0 0.0 4.8 360 275 A 89 ASP H A 88 LYS HBx 1.0 0.0 4.8 361 276 A 123 PHE H A 122 PRO HA 1.0 0.0 2.7 362 277 A 105 ASN H A 106 LEU H 1.0 0.0 5.0 363 278 A 33 LEU H A 32 THR H 1.0 3.2 4.1 364 279 A 64 GLU H A 63 ILE HB 1.0 0.0 4.5 365 280 A 53 CYS H A 52 THR HA 1.0 0.0 2.7 366 281 A 89 ASP H A 88 LYS H 1.0 0.0 5.0 367 282 A 69 GLY H A 70 GLU H 1.0 0.0 2.7 368 283 A 37 LYS H A 36 LEU HG 1.0 0.0 4.0 369 284 A 35 PHE H A 36 LEU H 1.0 2.7 7.7 370 285 A 43 HIS HA A 44 CYS H 1.0 0.0 2.7 371 286 A 106 LEU HA A 107 CYS H 1.0 0.0 3.2 372 287 A 95 LEU H A 94 GLN HB2 1.0 0.0 5.0 373 288 A 32 THR H A 31 ASP HB2 1.0 0.0 4.8 374 288 A 31 ASP HB3 A 32 THR H 1.0 0.0 4.8 375 289 A 80 TYR H A 79 LYS HE2 1.0 0.0 5.8 376 289 A 80 TYR H A 79 LYS HE3 1.0 0.0 5.8 377 290 A 93 ALA H A 92 LYS HA 1.0 0.0 2.7 378 291 A 128 ILE H A 127 SER HA 1.0 0.0 2.7 379 292 A 124 PHE H A 123 PHE HA 1.0 0.0 2.7 380 293 A 63 ILE H A 62 ILE HA 1.0 0.0 2.7 381 294 A 57 GLY H A 56 ASN HA 1.0 0.0 3.2 382 295 A 94 GLN H A 93 ALA HB% 1.0 0.0 4.0 383 296 A 101 CYS HA A 102 CYS H 1.0 0.0 2.7 384 297 A 114 THR HA A 115 LEU H 1.0 0.0 2.7 385 298 A 35 PHE H A 34 PRO HA 1.0 0.0 2.7 386 299 A 87 CYS H A 86 GLN HG2 1.0 0.0 5.8 387 299 A 86 GLN HG3 A 87 CYS H 1.0 0.0 5.8 388 300 A 81 GLU H A 82 GLY HAy 1.0 0.0 5.8 389 300 A 81 GLU H A 82 GLY HAx 1.0 0.0 5.8 390 301 A 49 ILE H A 48 ALA HB% 1.0 0.0 4.0 391 302 A 55 THR H A 54 ILE HG2% 1.0 0.0 4.0 392 303 A 93 ALA H A 92 LYS HG2 1.0 0.0 4.8 393 303 A 92 LYS HG3 A 93 ALA H 1.0 0.0 4.8 394 304 A 100 GLU H A 99 ILE HD1% 1.0 0.0 5.8 395 305 A 79 LYS H A 78 MET H 1.0 0.0 5.0 396 306 A 123 PHE H A 122 PRO HB3 1.0 0.0 5.0 397 307 A 67 ASP H A 66 ASP HA 1.0 0.0 2.7 398 308 A 59 CYS HA A 60 PHE HD1 1.0 0.0 5.0 399 309 A 38 CYS H A 37 LYS HGy 1.0 0.0 4.8 400 309 A 38 CYS H A 37 LYS HGx 1.0 0.0 4.8 401 310 A 78 MET H A 77 CYS H 1.0 0.0 5.0 402 311 A 39 TYR HA A 40 CYS H 1.0 0.0 2.7 403 312 A 83 SER H A 82 GLY H 1.0 0.0 4.0 404 313 A 63 ILE H A 62 ILE HG1y 1.0 0.0 4.0 405 313 A 63 ILE H A 62 ILE HG1x 1.0 0.0 4.0 406 314 A 112 GLN H A 111 LEU HA 1.0 0.0 2.7 407 315 A 129 ARG H A 128 ILE HA 1.0 0.0 2.7 408 316 A 50 ASN HA A 51 ASN H 1.0 0.0 3.2 409 317 A 127 SER H A 126 GLY HAx 1.0 0.0 3.5 410 317 A 127 SER H A 126 GLY HAy 1.0 0.0 3.5 411 318 A 109 GLN H A 108 ASN HB3 1.0 0.0 5.0 412 319 A 73 LEU HA A 74 ALA H 1.0 0.0 2.7 413 320 A 80 TYR H A 79 LYS HG2 1.0 0.0 4.8 414 320 A 80 TYR H A 79 LYS HG3 1.0 0.0 4.8 415 321 A 36 LEU H A 35 PHE HA 1.0 0.0 2.7 416 322 A 114 THR H A 113 PRO HB3 1.0 0.0 4.0 417 323 A 118 VAL H A 117 PRO HB3 1.0 0.0 4.0 418 324 A 75 SER H A 74 ALA HA 1.0 0.0 2.7 419 325 A 120 ILE H A 119 VAL HGx% 1.0 0.0 5.5 420 325 A 120 ILE H A 119 VAL HGy% 1.0 0.0 5.5 421 326 A 55 THR H A 54 ILE H 1.0 0.0 5.0 422 327 A 69 GLY H A 68 GLN HA 1.0 0.0 4.0 423 328 A 71 THR H A 70 GLU H 1.0 0.0 5.0 424 329 A 93 ALA H A 92 LYS HBy 1.0 0.0 4.8 425 329 A 93 ALA H A 92 LYS HBx 1.0 0.0 4.8 426 330 A 55 THR HA A 56 ASN H 1.0 0.0 2.7 427 331 A 68 GLN H A 67 ASP H 1.0 0.0 3.2 428 332 A 49 ILE H A 48 ALA HA 1.0 0.0 2.7 429 333 A 83 SER H A 82 GLY HAy 1.0 0.0 3.5 430 333 A 83 SER H A 82 GLY HAx 1.0 0.0 3.5 431 334 A 37 LYS H A 36 LEU HA 1.0 0.0 2.7 432 335 A 70 GLU H A 69 GLY HA3 1.0 0.0 4.0 433 336 A 55 THR HB A 56 ASN H 1.0 0.0 5.0 434 337 A 128 ILE H A 127 SER HB2 1.0 0.0 4.8 435 337 A 128 ILE H A 127 SER HB3 1.0 0.0 4.8 436 338 A 57 GLY H A 56 ASN H 1.0 0.0 2.7 437 339 A 57 GLY H A 56 ASN HB3 1.0 0.0 5.0 438 340 A 85 PHE H A 86 GLN H 1.0 0.0 3.2 439 341 A 92 LYS H A 91 PRO HD3 1.0 0.0 5.0 440 342 A 52 THR H A 51 ASN HA 1.0 2.9 3.5 441 343 A 71 THR H A 70 GLU HBy 1.0 0.0 4.0 442 343 A 71 THR H A 70 GLU HBx 1.0 0.0 4.0 443 344 A 98 THR H A 97 ARG HB2 1.0 0.0 4.0 444 344 A 98 THR H A 97 ARG HB3 1.0 0.0 4.0 445 345 A 66 ASP H A 65 GLU HA 1.0 0.0 2.7 446 346 A 84 ASP H A 83 SER HB2 1.0 0.0 4.0 447 346 A 84 ASP H A 83 SER HB3 1.0 0.0 4.0 448 347 A 89 ASP H A 88 LYS HG2 1.0 0.0 5.8 449 347 A 89 ASP H A 88 LYS HG3 1.0 0.0 5.8 450 348 A 106 LEU H A 105 ASN HB3 1.0 0.0 5.0 451 349 A 32 THR H A 31 ASP HA 1.0 0.0 2.7 452 350 A 103 ARG H A 102 CYS HB3 1.0 0.0 4.0 453 350 A 103 ARG H A 102 CYS HB2 1.0 0.0 4.0 454 351 A 62 ILE H A 61 ALA HA 1.0 0.0 2.7 455 352 A 92 LYS H A 91 PRO HA 1.0 0.0 2.7 456 353 A 69 GLY H A 68 GLN HB3 1.0 0.0 4.0 457 354 A 67 ASP H A 68 GLN HG2 1.0 0.0 5.8 458 354 A 68 GLN HG3 A 67 ASP H 1.0 0.0 5.8 459 355 A 101 CYS H A 100 GLU HG2 1.0 0.0 5.8 460 355 A 101 CYS H A 100 GLU HG3 1.0 0.0 5.8 461 356 A 95 LEU H A 94 GLN HA 1.0 0.0 2.7 462 357 A 123 PHE H A 122 PRO HB2 1.0 0.0 5.0 463 358 A 37 LYS H A 36 LEU HD1% 1.0 0.0 4.0 464 359 A 55 THR HG2% A 56 ASN H 1.0 0.0 4.8 465 360 A 121 GLY H A 120 ILE HB 1.0 0.0 5.0 466 361 A 38 CYS H A 37 LYS H 1.0 0.0 5.0 467 362 A 71 THR H A 70 GLU HGy 1.0 0.0 5.8 468 362 A 71 THR H A 70 GLU HGx 1.0 0.0 5.8 469 363 A 89 ASP H A 88 LYS HA 1.0 0.0 2.7 470 364 A 38 CYS HA A 39 TYR H 1.0 0.0 2.7 471 365 A 83 SER HA A 84 ASP H 1.0 0.0 3.2 472 366 A 85 PHE H A 84 ASP H 1.0 0.0 3.2 473 367 A 47 ASP H A 46 ASP HBy 1.0 0.0 3.5 474 367 A 47 ASP H A 46 ASP HBx 1.0 0.0 3.5 475 368 A 47 ASP H A 46 ASP H 1.0 2.7 4.0 476 369 A 75 SER H A 74 ALA HB% 1.0 0.0 3.5 477 370 A 88 LYS H A 87 CYS HA 1.0 0.0 3.2 478 371 A 35 PHE H A 36 LEU HB3 1.0 0.0 5.8 479 371 A 35 PHE H A 36 LEU HB2 1.0 0.0 5.8 480 372 A 41 SER H A 40 CYS HA 1.0 0.0 2.7 481 373 A 38 CYS H A 39 TYR H 1.0 0.0 5.0 482 374 A 88 LYS H A 87 CYS H 1.0 0.0 4.0 483 375 A 67 ASP H A 68 GLN HB2 1.0 0.0 5.0 484 376 A 106 LEU H A 105 ASN HB2 1.0 0.0 4.0 485 377 A 94 GLN H A 93 ALA H 1.0 0.0 5.0 486 378 A 65 GLU H A 64 GLU HB3 1.0 0.0 3.2 487 379 A 59 CYS H A 58 HIS HA 1.0 0.0 2.7 488 380 A 102 CYS HA A 103 ARG H 1.0 0.0 2.7 489 381 A 114 THR H A 115 LEU H 1.0 0.0 5.0 490 382 A 86 GLN H A 85 PHE HB2 1.0 0.0 4.8 491 382 A 85 PHE HB3 A 86 GLN H 1.0 0.0 4.8 492 383 A 57 GLY H A 56 ASN HB2 1.0 0.0 5.0 493 384 A 112 GLN H A 111 LEU HBy 1.0 0.0 4.8 494 384 A 112 GLN H A 111 LEU HBx 1.0 0.0 4.8 495 385 A 66 ASP HB2 A 67 ASP H 1.0 0.0 2.7 496 386 A 98 THR H A 97 ARG H 1.0 0.0 5.0 497 387 A 96 ARG H A 95 LEU HA 1.0 0.0 2.7 498 388 A 100 GLU H A 99 ILE HG1y 1.0 0.0 4.0 499 388 A 100 GLU H A 99 ILE HG1x 1.0 0.0 4.0 500 389 A 105 ASN H A 104 THR H 1.0 3.2 8.2 501 390 A 86 GLN H A 85 PHE HA 1.0 0.0 3.2 502 391 A 95 LEU HG A 96 ARG H 1.0 0.0 3.2 503 392 A 96 ARG HA A 97 ARG H 1.0 0.0 2.7 504 393 A 79 LYS H A 78 MET HA 1.0 0.0 2.7 505 394 A 125 ASP H A 124 PHE HB2 1.0 0.0 4.8 506 394 A 124 PHE HB3 A 125 ASP H 1.0 0.0 4.8 507 395 A 55 THR H A 56 ASN H 1.0 0.0 5.0 508 396 A 64 GLU H A 63 ILE HG12 1.0 0.0 4.0 509 396 A 64 GLU H A 63 ILE HG13 1.0 0.0 4.0 510 397 A 56 ASN H A 57 GLY HA3 1.0 0.0 5.8 511 397 A 57 GLY HA2 A 56 ASN H 1.0 0.0 5.8 512 398 A 61 ALA H A 60 PHE HBy 1.0 0.0 3.5 513 398 A 61 ALA H A 60 PHE HBx 1.0 0.0 3.5 514 399 A 33 LEU H A 32 THR HA 1.0 0.0 2.7 515 400 A 86 GLN H A 85 PHE HD% 1.0 0.0 5.8 516 401 A 47 ASP H A 46 ASP HA 1.0 2.7 7.7 517 402 A 65 GLU H A 64 GLU HA 1.0 0.0 2.7 518 403 A 118 VAL HA A 119 VAL H 1.0 2.5 7.5 519 404 A 46 ASP H A 45 PRO HB3 1.0 0.0 4.0 520 405 A 92 LYS H A 91 PRO HB3 1.0 0.0 5.0 521 406 A 88 LYS H A 87 CYS HBy 1.0 0.0 5.8 522 406 A 88 LYS H A 87 CYS HBx 1.0 0.0 5.8 523 407 A 31 ASP H A 30 GLU HA 1.0 0.0 2.7 524 408 A 58 HIS H A 57 GLY HA3 1.0 0.0 3.5 525 408 A 58 HIS H A 57 GLY HA2 1.0 0.0 3.5 526 409 A 70 GLU H A 69 GLY HA2 1.0 0.0 4.0 527 410 A 68 GLN H A 67 ASP HB2 1.0 0.0 4.8 528 410 A 68 GLN H A 67 ASP HB3 1.0 0.0 4.8 529 411 A 58 HIS HA A 57 GLY H 1.0 0.0 5.0 530 412 A 49 ILE HG2% A 50 ASN H 1.0 0.0 4.8 531 413 A 52 THR H A 51 ASN H 1.0 0.0 3.2 532 414 A 74 ALA H A 73 LEU HB3 1.0 0.0 4.0 533 415 A 115 LEU HA A 116 PRO HDx 1.0 0.0 2.7 534 416 A 115 LEU HA A 116 PRO HDy 1.0 0.0 3.2 535 417 A 106 LEU H A 108 ASN H 1.0 0.0 5.0 536 418 A 55 THR HA A 57 GLY H 1.0 0.0 3.8 537 419 A 68 GLN H A 66 ASP HB2 1.0 0.0 4.0 538 420 A 85 PHE H A 83 SER HB2 1.0 0.0 5.8 539 420 A 85 PHE H A 83 SER HB3 1.0 0.0 5.8 540 421 A 30 GLU H A 28 GLY HAx 1.0 0.0 5.8 541 421 A 30 GLU H A 28 GLY HAy 1.0 0.0 5.8 542 422 A 52 THR H A 48 ALA HB% 1.0 2.7 3.7 543 423 A 90 SER H A 88 LYS HBy 1.0 0.0 5.8 544 423 A 90 SER H A 88 LYS HBx 1.0 0.0 5.8 545 424 A 47 ASP H A 45 PRO HB2 1.0 0.0 3.2 546 425 A 65 GLU HG3 A 69 GLY HA2 1.0 0.0 2.7 547 425 A 69 GLY HA2 A 65 GLU HG2 1.0 0.0 2.7 548 426 A 69 GLY H A 67 ASP HA 1.0 0.0 4.0 549 427 A 55 THR HB A 57 GLY H 1.0 0.0 5.0 550 428 A 69 GLY H A 67 ASP H 1.0 0.0 5.0 551 429 A 111 LEU HDx% A 113 PRO HDx 1.0 0.0 5.5 552 429 A 111 LEU HDy% A 113 PRO HDx 1.0 0.0 5.5 553 430 A 109 GLN H A 111 LEU H 1.0 0.0 5.0 554 431 A 93 ALA H A 90 SER HB2 1.0 0.0 5.8 555 431 A 90 SER HB3 A 93 ALA H 1.0 0.0 5.8 556 432 A 66 ASP HB2 A 70 GLU H 1.0 0.0 5.0 557 433 A 48 ALA HB% A 45 PRO HDx 1.0 0.0 3.2 558 434 A 48 ALA HB% A 45 PRO HGx 1.0 0.0 4.8 559 435 A 48 ALA HB% A 44 CYS HBx 1.0 0.0 4.3 560 435 A 48 ALA HB% A 44 CYS HBy 1.0 0.0 4.3 561 436 A 68 GLN H A 70 GLU H 1.0 0.0 4.0 562 437 A 95 LEU H A 93 ALA HB% 1.0 4.0 9.0 563 438 A 69 GLY H A 67 ASP HB2 1.0 0.0 5.8 564 438 A 69 GLY H A 67 ASP HB3 1.0 0.0 5.8 565 439 A 83 SER HA A 86 GLN HB2 1.0 0.0 5.0 566 440 A 32 THR H A 30 GLU HA 1.0 0.0 5.0 567 441 A 107 CYS HB3 A 104 THR H 1.0 3.2 4.0 568 442 A 107 CYS H A 104 THR H 1.0 0.0 5.0 569 443 A 36 LEU H A 34 PRO HA 1.0 4.0 5.0 570 444 A 106 LEU HA A 108 ASN H 1.0 0.0 3.2 571 445 A 62 ILE HG2% A 60 PHE HE2 1.0 0.0 4.0 572 446 A 83 SER HA A 86 GLN H 1.0 0.0 5.0 573 447 A 121 GLY H A 119 VAL HGx% 1.0 0.0 5.5 574 447 A 121 GLY H A 119 VAL HGy% 1.0 0.0 5.5 575 448 A 66 ASP H A 69 GLY H 1.0 0.0 5.0 576 449 A 66 ASP H A 69 GLY HA3 1.0 0.0 5.8 577 449 A 66 ASP H A 69 GLY HA2 1.0 0.0 5.8 578 450 A 102 CYS HA A 104 THR H 1.0 0.0 4.5 579 451 A 102 CYS HB2 A 104 THR H 1.0 3.2 4.0 580 452 A 69 GLY H A 66 ASP HB3 1.0 0.0 5.0 581 453 A 90 SER H A 93 ALA HB% 1.0 0.0 5.8 582 454 A 66 ASP H A 70 GLU HBy 1.0 0.0 5.0 583 454 A 66 ASP H A 70 GLU HBx 1.0 0.0 5.0 584 455 A 109 GLN H A 106 LEU HA 1.0 0.0 5.0 585 456 A 55 THR HG2% A 58 HIS H 1.0 0.0 4.0 586 457 A 49 ILE HA A 52 THR H 1.0 0.0 4.5 587 458 A 53 CYS HA A 49 ILE H 1.0 4.0 5.0 588 459 A 111 LEU HG A 113 PRO HDx 1.0 0.0 4.0 589 460 A 66 ASP HB3 A 70 GLU H 1.0 0.0 5.0 590 461 A 47 ASP H A 45 PRO HGy 1.0 0.0 4.8 591 461 A 47 ASP H A 45 PRO HGx 1.0 0.0 4.8 592 462 A 32 THR H A 30 GLU HBy 1.0 0.0 5.0 593 463 A 108 ASN HA A 111 LEU HBy 1.0 0.0 4.0 594 463 A 108 ASN HA A 111 LEU HBx 1.0 0.0 4.0 595 464 A 105 ASN HA A 107 CYS H 1.0 0.0 3.4 596 465 A 109 GLN H A 107 CYS H 1.0 0.0 5.0 597 466 A 68 GLN H A 66 ASP HA 1.0 0.0 5.0 598 467 A 55 THR HG2% A 57 GLY H 1.0 2.8 3.5 599 468 A 49 ILE H A 52 THR H 1.0 0.0 4.0 600 469 A 36 LEU H A 34 PRO HB3 1.0 4.2 9.2 601 470 A 84 ASP H A 82 GLY HAy 1.0 0.0 5.8 602 470 A 84 ASP H A 82 GLY HAx 1.0 0.0 5.8 603 471 A 30 GLU HBx A 32 THR H 1.0 0.0 5.0 604 472 A 70 GLU H A 68 GLN HB2 1.0 0.0 3.2 605 473 A 108 ASN HA A 111 LEU HDy% 1.0 0.0 4.0 606 474 A 102 CYS H A 58 HIS HA 1.0 0.0 5.0 607 475 A 115 LEU H A 63 ILE HD1% 1.0 0.0 5.8 608 476 A 97 ARG HA A 64 GLU HA 1.0 0.0 3.2 609 477 A 38 CYS HA A 106 LEU HD2% 1.0 0.0 4.0 610 478 A 61 ALA HB% A 75 SER HB2 1.0 0.0 5.8 611 479 A 106 LEU HA A 39 TYR H 1.0 2.7 7.7 612 480 A 72 THR H A 65 GLU HA 1.0 0.0 4.0 613 481 A 61 ALA HB% A 100 GLU HB2 1.0 0.0 3.5 614 482 A 56 ASN HA A 34 PRO HA 1.0 3.2 4.0 615 483 A 53 CYS H A 38 CYS HBy 1.0 0.0 5.8 616 483 A 53 CYS H A 38 CYS HBx 1.0 0.0 5.8 617 484 A 57 GLY H A 36 LEU HD2% 1.0 4.2 9.2 618 485 A 59 CYS H A 36 LEU HD2% 1.0 3.5 4.0 619 486 A 56 ASN H A 34 PRO HA 1.0 3.2 8.2 620 487 A 105 ASN H A 36 LEU HD1% 1.0 0.0 4.8 621 488 A 54 ILE H A 45 PRO HGy 1.0 0.0 5.8 622 488 A 54 ILE H A 45 PRO HGx 1.0 0.0 5.8 623 489 A 66 ASP H A 71 THR HA 1.0 3.2 7.7 624 490 A 56 ASN H A 34 PRO HB3 1.0 4.0 5.0 625 491 A 77 CYS HA A 59 CYS HA 1.0 0.0 3.2 626 492 A 61 ALA H A 111 LEU HDy% 1.0 0.0 5.8 627 493 A 79 LYS HA A 56 ASN H 1.0 0.0 4.0 628 494 A 111 LEU HDx% A 100 GLU HB3 1.0 0.0 4.7 629 494 A 100 GLU HB3 A 111 LEU HDy% 1.0 0.0 4.7 630 495 A 52 THR HG2% A 39 TYR HA 1.0 0.0 4.0 631 496 A 60 PHE HA A 102 CYS H 1.0 0.0 4.0 632 497 A 61 ALA HB% A 100 GLU H 1.0 0.0 5.8 633 498 A 60 PHE H A 75 SER HB2 1.0 0.0 5.0 634 499 A 36 LEU H A 54 ILE HG2% 1.0 4.0 9.0 635 500 A 61 ALA HB% A 113 PRO HDx 1.0 0.0 4.8 636 500 A 61 ALA HB% A 113 PRO HDy 1.0 0.0 4.8 637 501 A 52 THR HA A 40 CYS H 1.0 0.0 4.0 638 502 A 58 HIS H A 78 MET HE% 1.0 5.0 10.0 639 503 A 70 GLU H A 65 GLU HA 1.0 0.0 5.0 640 504 A 55 THR H A 36 LEU H 1.0 0.0 4.0 641 505 A 99 ILE HD1% A 78 MET HE% 1.0 0.0 5.6 642 506 A 80 TYR HA A 57 GLY H 1.0 0.0 5.0 643 507 A 63 ILE HG2% A 98 THR HB 1.0 0.0 3.2 644 508 A 37 LYS HGx A 52 THR HB 1.0 0.0 4.0 645 509 A 55 THR HG2% A 35 PHE H 1.0 0.0 5.8 646 510 A 98 THR HG2% A 114 THR H 1.0 3.2 4.8 647 511 A 39 TYR H A 108 ASN H 1.0 0.0 4.0 648 512 A 59 CYS H A 102 CYS H 1.0 0.0 3.2 649 513 A 109 GLN HA A 39 TYR HD1 1.0 0.0 3.2 650 514 A 35 PHE H A 54 ILE HG2% 1.0 0.0 6.5 651 515 A 55 THR H A 36 LEU HA 1.0 0.0 5.0 652 516 A 66 ASP H A 71 THR HG2% 1.0 0.0 5.8 653 517 A 114 THR H A 63 ILE HG2% 1.0 0.0 5.8 654 518 A 109 GLN H A 39 TYR HB3 1.0 3.5 5.0 655 519 A 72 THR H A 64 GLU HB2 1.0 0.0 5.8 656 519 A 72 THR H A 64 GLU HB3 1.0 0.0 5.8 657 520 A 75 SER H A 41 SER HB2 1.0 0.0 4.8 658 520 A 75 SER H A 41 SER HB3 1.0 0.0 4.8 659 521 A 108 ASN H A 59 CYS HB3 1.0 0.0 4.0 660 522 A 63 ILE HG2% A 113 PRO HB2 1.0 0.0 4.0 661 523 A 98 THR H A 115 LEU HD2% 1.0 0.0 5.0 662 524 A 64 GLU HA A 97 ARG HG2 1.0 2.7 7.7 663 524 A 97 ARG HG3 A 64 GLU HA 1.0 2.7 7.7 664 525 A 71 THR HG2% A 64 GLU H 1.0 0.0 4.8 665 526 A 33 LEU H A 56 ASN HB3 1.0 0.0 5.0 666 527 A 67 ASP H A 95 LEU HDx% 1.0 0.0 6.5 667 527 A 67 ASP H A 95 LEU HDy% 1.0 0.0 6.5 668 528 A 63 ILE H A 99 ILE HA 1.0 0.0 3.5 669 529 A 65 GLU H A 97 ARG HA 1.0 0.0 4.0 670 530 A 109 GLN H A 39 TYR HB2 1.0 3.5 5.0 671 531 A 60 PHE H A 77 CYS HA 1.0 0.0 4.0 672 532 A 38 CYS HA A 108 ASN H 1.0 0.0 5.0 673 533 A 53 CYS H A 39 TYR HA 1.0 0.0 5.0 674 534 A 62 ILE HA A 100 GLU H 1.0 0.0 3.5 675 535 A 38 CYS H A 54 ILE H 1.0 0.0 5.0 676 536 A 97 ARG HA A 115 LEU HD2% 1.0 0.0 4.0 677 537 A 71 THR H A 65 GLU HA 1.0 0.0 5.0 678 538 A 60 PHE HA A 100 GLU H 1.0 0.0 5.0 679 539 A 106 LEU H A 39 TYR H 1.0 0.0 5.0 680 540 A 53 CYS HA A 48 ALA HA 1.0 4.0 5.0 681 541 A 53 CYS HA A 48 ALA HB% 1.0 4.0 5.8 682 542 A 78 MET H A 57 GLY HA3 1.0 0.0 5.0 683 543 A 97 ARG H A 115 LEU HD2% 1.0 3.2 5.8 684 544 A 104 THR HA A 36 LEU HD1% 1.0 0.0 3.5 685 545 A 55 THR H A 35 PHE H 1.0 0.0 5.0 686 546 A 60 PHE HA A 101 CYS HA 1.0 0.0 2.7 687 547 A 65 GLU H A 115 LEU HD2% 1.0 3.2 7.2 688 548 A 114 THR H A 98 THR HB 1.0 0.0 5.0 689 549 A 78 MET HB2 A 60 PHE HD1 1.0 0.0 3.2 690 550 A 78 MET HE% A 60 PHE HBy 1.0 0.0 4.8 691 550 A 60 PHE HBx A 78 MET HE% 1.0 0.0 4.8 692 551 A 98 THR HA A 115 LEU HA 1.0 0.0 5.0 693 552 A 78 MET H A 59 CYS HA 1.0 0.0 5.0 694 553 A 104 THR H A 36 LEU HD2% 1.0 4.5 9.5 695 554 A 57 GLY H A 80 TYR HB2 1.0 4.5 5.8 696 554 A 80 TYR HB3 A 57 GLY H 1.0 4.5 5.8 697 555 A 53 CYS H A 37 LYS HGy 1.0 0.0 5.8 698 555 A 53 CYS H A 37 LYS HGx 1.0 0.0 5.8 699 556 A 55 THR HG2% A 78 MET H 1.0 0.0 4.0 700 557 A 52 THR HB A 37 LYS HD2 1.0 2.7 7.7 701 557 A 52 THR HB A 37 LYS HD3 1.0 2.7 7.7 702 558 A 61 ALA H A 100 GLU H 1.0 0.0 3.5 703 559 A 59 CYS H A 36 LEU HG 1.0 0.0 5.0 704 560 A 75 SER H A 41 SER H 1.0 0.0 3.2 705 561 A 58 HIS H A 78 MET HB3 1.0 0.0 3.2 706 562 A 115 LEU HD1% A 65 GLU HB2 1.0 0.0 3.5 707 563 A 37 LYS H A 105 ASN HB2 1.0 3.5 8.5 708 563 A 37 LYS H A 105 ASN HB3 1.0 3.5 8.5 709 564 A 72 THR H A 63 ILE HG12 1.0 0.0 5.8 710 564 A 72 THR H A 63 ILE HG13 1.0 0.0 5.8 711 565 A 63 ILE HG2% A 113 PRO HB3 1.0 0.0 5.8 712 566 A 61 ALA HB% A 75 SER HB3 1.0 0.0 5.8 713 567 A 35 PHE H A 56 ASN HB2 1.0 0.0 5.0 714 568 A 58 HIS H A 36 LEU HD2% 1.0 4.2 5.8 715 569 A 98 THR H A 63 ILE HG2% 1.0 0.0 3.5 716 570 A 76 GLY HA2 A 40 CYS HB3 1.0 0.0 3.5 717 570 A 76 GLY HA2 A 40 CYS HB2 1.0 0.0 3.5 718 571 A 53 CYS H A 38 CYS H 1.0 0.0 4.0 719 572 A 53 CYS HB3 A 48 ALA HB% 1.0 0.0 4.0 720 573 A 52 THR HB A 37 LYS HGy 1.0 0.0 4.0 721 574 A 75 SER HA A 61 ALA HA 1.0 0.0 2.7 722 575 A 54 ILE H A 77 CYS HB2 1.0 0.0 5.0 723 576 A 38 CYS H A 54 ILE HG12 1.0 0.0 5.8 724 576 A 38 CYS H A 54 ILE HG13 1.0 0.0 5.8 725 577 A 80 TYR HA A 57 GLY HA3 1.0 0.0 3.5 726 577 A 80 TYR HA A 57 GLY HA2 1.0 0.0 3.5 727 578 A 39 TYR H A 106 LEU HD2% 1.0 4.0 9.0 728 579 A 62 ILE HA A 99 ILE HA 1.0 0.0 2.7 729 580 A 61 ALA H A 101 CYS HA 1.0 0.0 4.0 730 581 A 77 CYS H A 60 PHE HE1 1.0 0.0 4.0 731 582 A 104 THR H A 36 LEU HD1% 1.0 2.9 3.7 732 583 A 79 LYS HA A 57 GLY H 1.0 3.5 8.5 733 584 A 80 TYR H A 57 GLY HA3 1.0 0.0 5.0 734 585 A 76 GLY H A 61 ALA HA 1.0 0.0 4.0 735 586 A 112 GLN HA A 73 LEU HD11 1.0 0.0 5.5 736 586 A 112 GLN HA A 73 LEU HDy% 1.0 0.0 5.5 737 587 A 65 GLU H A 95 LEU HG 1.0 0.0 5.0 738 588 A 71 THR HA A 65 GLU HA 1.0 0.0 2.7 739 589 A 65 GLU H A 96 ARG HB2 1.0 0.0 4.8 740 589 A 65 GLU H A 96 ARG HB3 1.0 0.0 4.8 741 590 A 61 ALA HB% A 111 LEU HDy% 1.0 0.0 5.0 742 590 A 61 ALA HB% A 111 LEU HDx% 1.0 0.0 5.0 743 591 A 55 THR H A 34 PRO HB3 1.0 3.5 5.0 744 592 A 111 LEU HDx% A 100 GLU HB2 1.0 0.0 4.7 745 592 A 100 GLU HB2 A 111 LEU HDy% 1.0 0.0 4.7 746 593 A 71 THR HG2% A 65 GLU HB2 1.0 0.0 4.0 747 594 A 62 ILE H A 75 SER HA 1.0 0.0 4.0 748 595 A 52 THR HA A 39 TYR HA 1.0 0.0 2.7 749 596 A 60 PHE HE1 A 76 GLY HA3 1.0 0.0 4.0 750 597 A 58 HIS HB3 A 102 CYS H 1.0 0.0 4.1 751 598 A 38 CYS HA A 106 LEU HA 1.0 0.0 3.2 752 599 A 71 THR HG2% A 115 LEU HD1% 1.0 0.0 4.3 753 600 A 60 PHE H A 78 MET H 1.0 0.0 4.0 754 601 A 58 HIS H A 78 MET H 1.0 0.0 4.0 755 602 A 114 THR HA A 63 ILE HD1% 1.0 0.0 5.8 756 603 A 62 ILE HG2% A 74 ALA HB% 1.0 0.0 4.3 757 604 A 76 GLY H A 60 PHE H 1.0 0.0 3.2 758 605 A 102 CYS H A 59 CYS HB2 1.0 0.0 4.0 759 606 A 98 THR H A 63 ILE HG12 1.0 0.0 4.2 760 607 A 52 THR HG2% A 39 TYR HD2 1.0 0.0 4.0 761 608 A 54 ILE HA A 37 LYS HA 1.0 0.0 2.7 762 609 A 58 HIS H A 78 MET HG2 1.0 2.7 5.8 763 609 A 58 HIS H A 78 MET HG3 1.0 2.7 5.8 764 610 A 54 ILE HG2% A 34 PRO HB3 1.0 2.7 7.7 765 610 A 54 ILE HG2% A 34 PRO HB2 1.0 2.7 7.7 766 611 A 72 THR H A 64 GLU H 1.0 0.0 3.5 767 612 A 36 LEU H A 56 ASN HA 1.0 0.0 5.0 768 613 A 58 HIS H A 78 MET HB2 1.0 0.0 4.0 769 614 A 80 TYR H A 56 ASN HD2y 1.0 0.0 4.8 770 614 A 80 TYR H A 56 ASN HD2x 1.0 0.0 4.8 771 615 A 66 ASP H A 72 THR H 1.0 0.0 5.0 772 616 A 62 ILE H A 74 ALA H 1.0 0.0 4.0 773 617 A 57 GLY HA3 A 80 TYR HB2 1.0 0.0 5.0 774 617 A 57 GLY HA2 A 80 TYR HB2 1.0 0.0 5.0 775 617 A 80 TYR HB3 A 57 GLY HA3 1.0 0.0 5.0 776 617 A 80 TYR HB3 A 57 GLY HA2 1.0 0.0 5.0 777 618 A 102 CYS H A 58 HIS HB2 1.0 0.0 4.0 778 619 A 55 THR H A 36 LEU HB3 1.0 0.0 4.0 779 620 A 78 MET H A 60 PHE HD1 1.0 2.7 4.0 780 621 A 56 ASN H A 80 TYR HB2 1.0 3.5 8.5 781 621 A 80 TYR HB3 A 56 ASN H 1.0 3.5 8.5 782 622 A 35 PHE H A 56 ASN HA 1.0 3.2 5.0 783 623 A 38 CYS HA A 106 LEU H 1.0 2.7 3.5 784 624 A 38 CYS H A 52 THR HG2% 1.0 0.0 5.8 785 625 A 56 ASN HA A 36 LEU HB3 1.0 0.0 4.0 786 626 A 58 HIS HA A 36 LEU HD2% 1.0 0.0 3.5 787 627 A 103 ARG HA A 36 LEU HD2% 1.0 0.0 3.5 788 628 A 105 ASN HA A 36 LEU HD1% 1.0 0.0 3.5 789 629 A 54 ILE HG2% A 34 PRO HB2 1.0 0.0 4.0 790 630 A 105 ASN HA A 37 LYS H 1.0 0.0 4.0 791 631 A 37 LYS H A 106 LEU H 1.0 0.0 5.0 792 632 A 106 LEU HD2% A 37 LYS HB3 1.0 0.0 4.8 793 633 A 38 CYS H A 52 THR HB 1.0 0.0 5.0 794 634 A 39 TYR H A 109 GLN HB2 1.0 0.0 5.0 795 635 A 52 THR HB A 39 TYR HA 1.0 0.0 5.0 796 636 A 41 SER H A 74 ALA HA 1.0 0.0 4.0 797 637 A 53 CYS HB3 A 45 PRO HGy 1.0 0.0 4.0 798 637 A 53 CYS HB3 A 45 PRO HGx 1.0 0.0 4.0 799 638 A 53 CYS HB2 A 45 PRO HGy 1.0 0.0 4.0 800 638 A 53 CYS HB2 A 45 PRO HGx 1.0 0.0 4.0 801 639 A 77 CYS HA A 55 THR HB 1.0 0.0 4.0 802 640 A 55 THR HB A 77 CYS HB3 1.0 0.0 2.7 803 641 A 78 MET HE% A 60 PHE HBy 1.0 0.0 4.0 804 642 A 61 ALA H A 100 GLU HB2 1.0 0.0 4.0 805 643 A 75 SER HB3 A 61 ALA HA 1.0 0.0 3.2 806 644 A 61 ALA HA A 75 SER HB2 1.0 0.0 4.0 807 645 A 99 ILE HA A 62 ILE HB 1.0 0.0 5.0 808 646 A 71 THR HB A 64 GLU H 1.0 0.0 5.0 809 647 A 62 ILE HG2% A 74 ALA H 1.0 0.0 5.0 810 648 A 63 ILE HG2% A 98 THR HB 1.0 0.0 3.5 811 649 A 100 GLU HB3 A 111 LEU HDy% 1.0 0.0 4.3 812 649 A 100 GLU HB2 A 111 LEU HDy% 1.0 0.0 4.3 813 650 A 60 PHE HD1 A 78 MET HE% 1.0 0.0 4.0 814 651 A 55 THR HG2% A 77 CYS HA 1.0 0.0 4.0 815 652 A 98 THR HB A 113 PRO HB2 1.0 0.0 3.2 816 653 A 59 CYS HB3 A 108 ASN HB2 1.0 0.0 3.2 817 654 A 75 SER HB2 A 108 ASN HB3 1.0 0.0 4.0 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 53 CYS SG A 77 CYS SG 1.0 1.92 2.12 2 2 A 38 CYS SG A 59 CYS SG 1.0 1.92 2.12 3 3 A 102 CYS SG A 107 CYS SG 1.0 1.92 2.12 4 4 A 87 CYS SG A 101 CYS SG 1.0 1.92 2.12 5 5 A 40 CYS SG A 44 CYS SG 1.0 1.92 2.12 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 48 ALA H A 45 PRO O 1.0 1.7 2.5 2 2 A 49 ILE H A 52 THR O 1.0 1.7 2.5 3 3 A 38 CYS H A 53 CYS O 1.0 1.7 2.5 4 4 A 52 THR H A 49 ILE O 1.0 1.7 2.5 5 5 A 63 ILE H A 38 CYS O 1.0 1.7 2.5 6 6 A 55 THR H A 36 LEU O 1.0 1.7 2.5 7 7 A 59 CYS H A 102 CYS O 1.0 1.7 2.5 8 8 A 60 PHE H A 76 GLY O 1.0 1.7 2.5 9 9 A 61 ALA H A 100 GLU O 1.0 1.7 2.5 10 10 A 62 ILE H A 74 ALA O 1.0 1.7 2.5 11 11 A 63 ILE H A 98 THR O 1.0 1.7 2.5 12 12 A 66 ASP H A 70 GLU O 1.0 1.7 2.5 13 13 A 69 GLY H A 66 ASP O 1.0 1.7 2.5 14 14 A 72 THR H A 64 GLU O 1.0 1.7 2.5 15 15 A 74 ALA H A 62 ILE O 1.0 1.7 2.5 16 16 A 76 GLY H A 60 PHE O 1.0 1.7 2.5 17 17 A 78 MET H A 58 HIS O 1.0 1.7 2.5 18 18 A 98 THR H A 63 ILE O 1.0 1.7 2.5 19 19 A 100 GLU H A 61 ALA O 1.0 1.7 2.5 20 20 A 102 CYS H A 59 CYS O 1.0 1.7 2.5 21 21 A 106 LEU H A 37 LYS O 1.0 1.7 2.5 22 22 A 107 CYS H A 104 THR O 1.0 1.7 2.5 23 23 A 48 ALA H A 45 PRO O 1.0 2.6 3.5 24 24 A 49 ILE H A 52 THR O 1.0 2.6 3.5 25 25 A 38 CYS H A 53 CYS O 1.0 2.6 3.5 26 26 A 52 THR H A 49 ILE O 1.0 2.6 3.5 27 27 A 63 ILE H A 38 CYS O 1.0 2.6 3.5 28 28 A 55 THR H A 36 LEU O 1.0 2.6 3.5 29 29 A 59 CYS H A 102 CYS O 1.0 2.6 3.5 30 30 A 60 PHE H A 76 GLY O 1.0 2.6 3.5 31 31 A 61 ALA H A 100 GLU O 1.0 2.6 3.5 32 32 A 62 ILE H A 74 ALA O 1.0 2.6 3.5 33 33 A 63 ILE H A 98 THR O 1.0 2.6 3.5 34 34 A 66 ASP H A 70 GLU O 1.0 2.6 3.5 35 35 A 69 GLY H A 66 ASP O 1.0 2.6 3.5 36 36 A 72 THR H A 64 GLU O 1.0 2.6 3.5 37 37 A 74 ALA H A 62 ILE O 1.0 2.6 3.5 38 38 A 76 GLY H A 60 PHE O 1.0 2.6 3.5 39 39 A 78 MET H A 58 HIS O 1.0 2.6 3.5 40 40 A 98 THR H A 63 ILE O 1.0 2.6 3.5 41 41 A 100 GLU H A 61 ALA O 1.0 2.6 3.5 42 42 A 102 CYS H A 59 CYS O 1.0 2.6 3.5 43 43 A 106 LEU H A 37 LYS O 1.0 2.6 3.5 44 44 A 107 CYS H A 104 THR O 1.0 2.6 3.5 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 32 THR N A 32 THR CA A 32 THR CB A 32 THR OG1 1.0 -90.0 -30.0 CHI1 2 2 A 33 LEU N A 33 LEU CA A 33 LEU CB A 33 LEU CG 1.0 -90.0 -30.0 CHI1 3 3 A 35 PHE N A 35 PHE CA A 35 PHE CB A 35 PHE CG 1.0 30.0 90.0 CHI1 4 4 A 36 LEU N A 36 LEU CA A 36 LEU CB A 36 LEU CG 1.0 150.0 210.0 CHI1 5 5 A 39 TYR N A 39 TYR CA A 39 TYR CB A 39 TYR CG 1.0 150.0 210.0 CHI1 6 6 A 44 CYS N A 44 CYS CA A 44 CYS CB A 44 CYS SG 1.0 150.0 210.0 CHI1 7 7 A 47 ASP N A 47 ASP CA A 47 ASP CB A 47 ASP CG 1.0 30.0 90.0 CHI1 8 8 A 49 ILE N A 49 ILE CA A 49 ILE CB A 49 ILE CG1 1.0 -90.0 -30.0 CHI1 9 9 A 50 ASN N A 50 ASN CA A 50 ASN CB A 50 ASN CG 1.0 30.0 90.0 CHI1 10 10 A 52 THR N A 52 THR CA A 52 THR CB A 52 THR OG1 1.0 30.0 90.0 CHI1 11 11 A 53 CYS N A 53 CYS CA A 53 CYS CB A 53 CYS SG 1.0 30.0 90.0 CHI1 12 12 A 54 ILE N A 54 ILE CA A 54 ILE CB A 54 ILE CG1 1.0 -90.0 -30.0 CHI1 13 13 A 55 THR N A 55 THR CA A 55 THR CB A 55 THR OG1 1.0 150.0 210.0 CHI1 14 14 A 56 ASN N A 56 ASN CA A 56 ASN CB A 56 ASN CG 1.0 30.0 90.0 CHI1 15 15 A 58 HIS N A 58 HIS CA A 58 HIS CB A 58 HIS CG 1.0 -90.0 -30.0 CHI1 16 16 A 59 CYS N A 59 CYS CA A 59 CYS CB A 59 CYS SG 1.0 -180.0 0.0 CHI1 17 17 A 62 ILE N A 62 ILE CA A 62 ILE CB A 62 ILE CG1 1.0 150.0 210.0 CHI1 18 18 A 63 ILE N A 63 ILE CA A 63 ILE CB A 63 ILE CG1 1.0 150.0 210.0 CHI1 19 19 A 64 GLU N A 64 GLU CA A 64 GLU CB A 64 GLU CG 1.0 -90.0 -30.0 CHI1 20 20 A 65 GLU N A 65 GLU CA A 65 GLU CB A 65 GLU CG 1.0 150.0 210.0 CHI1 21 21 A 66 ASP N A 66 ASP CA A 66 ASP CB A 66 ASP CG 1.0 30.0 90.0 CHI1 22 22 A 68 GLN N A 68 GLN CA A 68 GLN CB A 68 GLN CG 1.0 -90.0 -30.0 CHI1 23 23 A 71 THR N A 71 THR CA A 71 THR CB A 71 THR OG1 1.0 30.0 210.0 CHI1 24 24 A 72 THR N A 72 THR CA A 72 THR CB A 72 THR OG1 1.0 30.0 90.0 CHI1 25 25 A 73 LEU N A 73 LEU CA A 73 LEU CB A 73 LEU CG 1.0 -90.0 -30.0 CHI1 26 26 A 75 SER N A 75 SER CA A 75 SER CB A 75 SER OG 1.0 30.0 90.0 CHI1 27 27 A 77 CYS N A 77 CYS CA A 77 CYS CB A 77 CYS SG 1.0 -90.0 -30.0 CHI1 28 28 A 78 MET N A 78 MET CA A 78 MET CB A 78 MET CG 1.0 150.0 210.0 CHI1 29 29 A 79 LYS N A 79 LYS CA A 79 LYS CB A 79 LYS CG 1.0 30.0 90.0 CHI1 30 30 A 86 GLN N A 86 GLN CA A 86 GLN CB A 86 GLN CG 1.0 -90.0 -30.0 CHI1 31 31 A 98 THR N A 98 THR CA A 98 THR CB A 98 THR OG1 1.0 -90.0 -30.0 CHI1 32 32 A 99 ILE N A 99 ILE CA A 99 ILE CB A 99 ILE CG1 1.0 150.0 210.0 CHI1 33 33 A 100 GLU N A 100 GLU CA A 100 GLU CB A 100 GLU CG 1.0 -90.0 -30.0 CHI1 34 34 A 102 CYS N A 102 CYS CA A 102 CYS CB A 102 CYS SG 1.0 30.0 90.0 CHI1 35 35 A 104 THR N A 104 THR CA A 104 THR CB A 104 THR OG1 1.0 50.0 70.0 CHI1 36 36 A 105 ASN N A 105 ASN CA A 105 ASN CB A 105 ASN CG 1.0 30.0 90.0 CHI1 37 37 A 106 LEU N A 106 LEU CA A 106 LEU CB A 106 LEU CG 1.0 -90.0 -30.0 CHI1 38 38 A 107 CYS N A 107 CYS CA A 107 CYS CB A 107 CYS SG 1.0 30.0 90.0 CHI1 39 39 A 108 ASN N A 108 ASN CA A 108 ASN CB A 108 ASN CG 1.0 -90.0 -30.0 CHI1 40 40 A 109 GLN N A 109 GLN CA A 109 GLN CB A 109 GLN CG 1.0 150.0 210.0 CHI1 41 41 A 110 TYR N A 110 TYR CA A 110 TYR CB A 110 TYR CG 1.0 -90.0 -30.0 CHI1 42 42 A 112 GLN N A 112 GLN CA A 112 GLN CB A 112 GLN CG 1.0 150.0 210.0 CHI1 43 43 A 114 THR N A 114 THR CA A 114 THR CB A 114 THR OG1 1.0 30.0 90.0 CHI1 44 44 A 115 LEU N A 115 LEU CA A 115 LEU CB A 115 LEU CG 1.0 -90.0 -30.0 CHI1 45 45 A 118 VAL N A 118 VAL CA A 118 VAL CB A 118 VAL CG1 1.0 150.0 210.0 CHI1 46 46 A 128 ILE N A 128 ILE CA A 128 ILE CB A 128 ILE CG1 1.0 -90.0 -30.0 CHI1 47 47 A 129 ARG N A 129 ARG CA A 129 ARG CB A 129 ARG CG 1.0 150.0 210.0 CHI1 48 48 A 78 MET CA A 78 MET CB A 78 MET CG A 78 MET SD 1.0 150.0 210.0 CHI2 49 49 A 79 LYS CA A 79 LYS CB A 79 LYS CG A 79 LYS CD 1.0 150.0 210.0 CHI2 50 50 A 65 GLU CA A 65 GLU CB A 65 GLU CG A 65 GLU CD 1.0 -90.0 -30.0 CHI2 51 51 A 49 ILE CA A 49 ILE CB A 49 ILE CG1 A 49 ILE CD1 1.0 150.0 210.0 CHI2 52 52 A 54 ILE CA A 54 ILE CB A 54 ILE CG1 A 54 ILE CD1 1.0 150.0 210.0 CHI2 53 53 A 62 ILE CA A 62 ILE CB A 62 ILE CG1 A 62 ILE CD1 1.0 150.0 210.0 CHI2 54 54 A 63 ILE CA A 63 ILE CB A 63 ILE CG1 A 63 ILE CD1 1.0 150.0 210.0 CHI2 55 55 A 99 ILE CA A 99 ILE CB A 99 ILE CG1 A 99 ILE CD1 1.0 150.0 210.0 CHI2 56 56 A 33 LEU CA A 33 LEU CB A 33 LEU CG A 33 LEU CD1 1.0 150.0 210.0 CHI2 57 57 A 36 LEU CA A 36 LEU CB A 36 LEU CG A 36 LEU CD1 1.0 30.0 90.0 CHI2 58 58 A 106 LEU CA A 106 LEU CB A 106 LEU CG A 106 LEU CD1 1.0 150.0 210.0 CHI2 59 59 A 115 LEU CA A 115 LEU CB A 115 LEU CG A 115 LEU CD1 1.0 150.0 210.0 CHI2 60 60 A 29 PRO CA A 29 PRO CB A 29 PRO CG A 29 PRO CD 1.0 40.0 50.0 CHI2 61 61 A 34 PRO CA A 34 PRO CB A 34 PRO CG A 34 PRO CD 1.0 40.0 50.0 CHI2 62 62 A 91 PRO CA A 91 PRO CB A 91 PRO CG A 91 PRO CD 1.0 -50.0 -40.0 CHI2 63 63 A 122 PRO CA A 122 PRO CB A 122 PRO CG A 122 PRO CD 1.0 40.0 50.0 CHI2 64 64 A 32 THR C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -142.0 -64.0 PHI 65 65 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 PRO N 1.0 119.0 151.0 PSI 66 66 A 36 LEU C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -146.0 -100.0 PHI 67 67 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 CYS N 1.0 115.0 159.0 PSI 68 68 A 37 LYS C A 38 CYS N A 38 CYS CA A 38 CYS C 1.0 -121.0 -75.0 PHI 69 69 A 38 CYS N A 38 CYS CA A 38 CYS C A 39 TYR N 1.0 102.0 140.0 PSI 70 70 A 38 CYS C A 39 TYR N A 39 TYR CA A 39 TYR C 1.0 -129.0 -69.0 PHI 71 71 A 39 TYR N A 39 TYR CA A 39 TYR C A 40 CYS N 1.0 127.0 173.0 PSI 72 72 A 39 TYR C A 40 CYS N A 40 CYS CA A 40 CYS C 1.0 -161.0 -103.0 PHI 73 73 A 40 CYS N A 40 CYS CA A 40 CYS C A 41 SER N 1.0 137.0 173.0 PSI 74 74 A 40 CYS C A 41 SER N A 41 SER CA A 41 SER C 1.0 -123.0 -53.0 PHI 75 75 A 41 SER N A 41 SER CA A 41 SER C A 42 GLY N 1.0 116.0 162.0 PSI 76 76 A 42 GLY C A 43 HIS N A 43 HIS CA A 43 HIS C 1.0 -124.0 -74.0 PHI 77 77 A 43 HIS N A 43 HIS CA A 43 HIS C A 44 CYS N 1.0 112.0 150.0 PSI 78 78 A 43 HIS C A 44 CYS N A 44 CYS CA A 44 CYS C 1.0 -138.0 -68.0 PHI 79 79 A 44 CYS N A 44 CYS CA A 44 CYS C A 45 PRO N 1.0 87.0 165.0 PSI 80 80 A 44 CYS C A 45 PRO N A 45 PRO CA A 45 PRO C 1.0 -71.0 -47.0 PHI 81 81 A 45 PRO N A 45 PRO CA A 45 PRO C A 46 ASP N 1.0 126.0 156.0 PSI 82 82 A 45 PRO C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -74.0 -44.0 PHI 83 83 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 ASP N 1.0 -46.0 -4.0 PSI 84 84 A 46 ASP C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -108.0 -72.0 PHI 85 85 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 ALA N 1.0 -12.0 14.0 PSI 86 86 A 47 ASP C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -86.0 -60.0 PHI 87 87 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 ILE N 1.0 110.0 162.0 PSI 88 88 A 48 ALA C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -126.0 -90.0 PHI 89 89 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 ASN N 1.0 116.0 152.0 PSI 90 90 A 50 ASN C A 51 ASN N A 51 ASN CA A 51 ASN C 1.0 42.0 64.0 PHI 91 91 A 51 ASN N A 51 ASN CA A 51 ASN C A 52 THR N 1.0 26.0 64.0 PSI 92 92 A 51 ASN C A 52 THR N A 52 THR CA A 52 THR C 1.0 -155.0 -109.0 PHI 93 93 A 52 THR N A 52 THR CA A 52 THR C A 53 CYS N 1.0 139.0 179.0 PSI 94 94 A 52 THR C A 53 CYS N A 53 CYS CA A 53 CYS C 1.0 -154.0 -116.0 PHI 95 95 A 53 CYS N A 53 CYS CA A 53 CYS C A 54 ILE N 1.0 119.0 165.0 PSI 96 96 A 53 CYS C A 54 ILE N A 54 ILE CA A 54 ILE C 1.0 -141.0 -95.0 PHI 97 97 A 54 ILE N A 54 ILE CA A 54 ILE C A 55 THR N 1.0 112.0 150.0 PSI 98 98 A 54 ILE C A 55 THR N A 55 THR CA A 55 THR C 1.0 -166.0 -106.0 PHI 99 99 A 55 THR N A 55 THR CA A 55 THR C A 56 ASN N 1.0 121.0 175.0 PSI 100 100 A 57 GLY C A 58 HIS N A 58 HIS CA A 58 HIS C 1.0 -153.0 -77.0 PHI 101 101 A 58 HIS N A 58 HIS CA A 58 HIS C A 59 CYS N 1.0 134.0 172.0 PSI 102 102 A 58 HIS C A 59 CYS N A 59 CYS CA A 59 CYS C 1.0 -118.0 -84.0 PHI 103 103 A 59 CYS N A 59 CYS CA A 59 CYS C A 60 PHE N 1.0 111.0 139.0 PSI 104 104 A 59 CYS C A 60 PHE N A 60 PHE CA A 60 PHE C 1.0 -158.0 -118.0 PHI 105 105 A 60 PHE N A 60 PHE CA A 60 PHE C A 61 ALA N 1.0 136.0 178.0 PSI 106 106 A 60 PHE C A 61 ALA N A 61 ALA CA A 61 ALA C 1.0 -158.0 -124.0 PHI 107 107 A 61 ALA N A 61 ALA CA A 61 ALA C A 62 ILE N 1.0 110.0 154.0 PSI 108 108 A 61 ALA C A 62 ILE N A 62 ILE CA A 62 ILE C 1.0 -147.0 -115.0 PHI 109 109 A 62 ILE N A 62 ILE CA A 62 ILE C A 63 ILE N 1.0 123.0 149.0 PSI 110 110 A 62 ILE C A 63 ILE N A 63 ILE CA A 63 ILE C 1.0 -149.0 -107.0 PHI 111 111 A 63 ILE N A 63 ILE CA A 63 ILE C A 64 GLU N 1.0 119.0 145.0 PSI 112 112 A 63 ILE C A 64 GLU N A 64 GLU CA A 64 GLU C 1.0 -150.0 -102.0 PHI 113 113 A 64 GLU N A 64 GLU CA A 64 GLU C A 65 GLU N 1.0 117.0 149.0 PSI 114 114 A 64 GLU C A 65 GLU N A 65 GLU CA A 65 GLU C 1.0 -152.0 -102.0 PHI 115 115 A 65 GLU N A 65 GLU CA A 65 GLU C A 66 ASP N 1.0 115.0 153.0 PSI 116 116 A 65 GLU C A 66 ASP N A 66 ASP CA A 66 ASP C 1.0 -91.0 -65.0 PHI 117 117 A 66 ASP N A 66 ASP CA A 66 ASP C A 67 ASP N 1.0 125.0 175.0 PSI 118 118 A 66 ASP C A 67 ASP N A 67 ASP CA A 67 ASP C 1.0 -81.0 -47.0 PHI 119 119 A 67 ASP N A 67 ASP CA A 67 ASP C A 68 GLN N 1.0 -50.0 12.0 PSI 120 120 A 67 ASP C A 68 GLN N A 68 GLN CA A 68 GLN C 1.0 -109.0 -77.0 PHI 121 121 A 68 GLN N A 68 GLN CA A 68 GLN C A 69 GLY N 1.0 -23.0 13.0 PSI 122 122 A 68 GLN C A 69 GLY N A 69 GLY CA A 69 GLY C 1.0 73.0 101.0 PHI 123 123 A 69 GLY N A 69 GLY CA A 69 GLY C A 70 GLU N 1.0 -1.0 21.0 PSI 124 124 A 69 GLY C A 70 GLU N A 70 GLU CA A 70 GLU C 1.0 -102.0 -60.0 PHI 125 125 A 70 GLU N A 70 GLU CA A 70 GLU C A 71 THR N 1.0 123.0 157.0 PSI 126 126 A 70 GLU C A 71 THR N A 71 THR CA A 71 THR C 1.0 -143.0 -95.0 PHI 127 127 A 71 THR N A 71 THR CA A 71 THR C A 72 THR N 1.0 121.0 157.0 PSI 128 128 A 71 THR C A 72 THR N A 72 THR CA A 72 THR C 1.0 -144.0 -98.0 PHI 129 129 A 72 THR N A 72 THR CA A 72 THR C A 73 LEU N 1.0 113.0 149.0 PSI 130 130 A 72 THR C A 73 LEU N A 73 LEU CA A 73 LEU C 1.0 -151.0 -91.0 PHI 131 131 A 73 LEU N A 73 LEU CA A 73 LEU C A 74 ALA N 1.0 122.0 160.0 PSI 132 132 A 73 LEU C A 74 ALA N A 74 ALA CA A 74 ALA C 1.0 -168.0 -112.0 PHI 133 133 A 74 ALA N A 74 ALA CA A 74 ALA C A 75 SER N 1.0 135.0 169.0 PSI 134 134 A 74 ALA C A 75 SER N A 75 SER CA A 75 SER C 1.0 -143.0 -81.0 PHI 135 135 A 75 SER N A 75 SER CA A 75 SER C A 76 GLY N 1.0 125.0 167.0 PSI 136 136 A 76 GLY C A 77 CYS N A 77 CYS CA A 77 CYS C 1.0 -113.0 -53.0 PHI 137 137 A 77 CYS N A 77 CYS CA A 77 CYS C A 78 MET N 1.0 116.0 148.0 PSI 138 138 A 77 CYS C A 78 MET N A 78 MET CA A 78 MET C 1.0 -145.0 -93.0 PHI 139 139 A 78 MET N A 78 MET CA A 78 MET C A 79 LYS N 1.0 122.0 164.0 PSI 140 140 A 78 MET C A 79 LYS N A 79 LYS CA A 79 LYS C 1.0 -97.0 -61.0 PHI 141 141 A 79 LYS N A 79 LYS CA A 79 LYS C A 80 TYR N 1.0 112.0 172.0 PSI 142 142 A 95 LEU C A 96 ARG N A 96 ARG CA A 96 ARG C 1.0 -131.0 -69.0 PHI 143 143 A 96 ARG N A 96 ARG CA A 96 ARG C A 97 ARG N 1.0 112.0 172.0 PSI 144 144 A 96 ARG C A 97 ARG N A 97 ARG CA A 97 ARG C 1.0 -161.0 -101.0 PHI 145 145 A 97 ARG N A 97 ARG CA A 97 ARG C A 98 THR N 1.0 123.0 165.0 PSI 146 146 A 97 ARG C A 98 THR N A 98 THR CA A 98 THR C 1.0 -134.0 -96.0 PHI 147 147 A 98 THR N A 98 THR CA A 98 THR C A 99 ILE N 1.0 117.0 149.0 PSI 148 148 A 98 THR C A 99 ILE N A 99 ILE CA A 99 ILE C 1.0 -143.0 -107.0 PHI 149 149 A 99 ILE N A 99 ILE CA A 99 ILE C A 100 GLU N 1.0 118.0 156.0 PSI 150 150 A 99 ILE C A 100 GLU N A 100 GLU CA A 100 GLU C 1.0 -160.0 -106.0 PHI 151 151 A 100 GLU N A 100 GLU CA A 100 GLU C A 101 CYS N 1.0 126.0 162.0 PSI 152 152 A 100 GLU C A 101 CYS N A 101 CYS CA A 101 CYS C 1.0 -143.0 -97.0 PHI 153 153 A 101 CYS N A 101 CYS CA A 101 CYS C A 102 CYS N 1.0 117.0 163.0 PSI 154 154 A 101 CYS C A 102 CYS N A 102 CYS CA A 102 CYS C 1.0 -157.0 -103.0 PHI 155 155 A 102 CYS N A 102 CYS CA A 102 CYS C A 103 ARG N 1.0 126.0 164.0 PSI 156 156 A 106 LEU C A 107 CYS N A 107 CYS CA A 107 CYS C 1.0 -88.0 -56.0 PHI 157 157 A 107 CYS N A 107 CYS CA A 107 CYS C A 108 ASN N 1.0 -50.0 -22.0 PSI 158 158 A 107 CYS C A 108 ASN N A 108 ASN CA A 108 ASN C 1.0 -96.0 -56.0 PHI 159 159 A 108 ASN N A 108 ASN CA A 108 ASN C A 109 GLN N 1.0 -59.0 -23.0 PSI 160 160 A 109 GLN C A 110 TYR N A 110 TYR CA A 110 TYR C 1.0 -129.0 -83.0 PHI 161 161 A 110 TYR N A 110 TYR CA A 110 TYR C A 111 LEU N 1.0 -4.0 16.0 PSI 162 162 A 110 TYR C A 111 LEU N A 111 LEU CA A 111 LEU C 1.0 -144.0 -82.0 PHI 163 163 A 111 LEU N A 111 LEU CA A 111 LEU C A 112 GLN N 1.0 109.0 129.0 PSI 164 164 A 111 LEU C A 112 GLN N A 112 GLN CA A 112 GLN C 1.0 -118.0 -70.0 PHI 165 165 A 112 GLN N A 112 GLN CA A 112 GLN C A 113 PRO N 1.0 121.0 161.0 PSI 166 166 A 112 GLN C A 113 PRO N A 113 PRO CA A 113 PRO C 1.0 -76.0 -52.0 PHI 167 167 A 113 PRO N A 113 PRO CA A 113 PRO C A 114 THR N 1.0 134.0 164.0 PSI 168 168 A 113 PRO C A 114 THR N A 114 THR CA A 114 THR C 1.0 -139.0 -85.0 PHI 169 169 A 114 THR N A 114 THR CA A 114 THR C A 115 LEU N 1.0 104.0 150.0 PSI 170 170 A 114 THR C A 115 LEU N A 115 LEU CA A 115 LEU C 1.0 -134.0 -70.0 PHI 171 171 A 115 LEU N A 115 LEU CA A 115 LEU C A 116 PRO N 1.0 109.0 155.0 PSI 172 172 A 115 LEU C A 116 PRO N A 116 PRO CA A 116 PRO C 1.0 -76.0 -50.0 PHI 173 173 A 116 PRO N A 116 PRO CA A 116 PRO C A 117 PRO N 1.0 133.0 163.0 PSI 174 174 A 116 PRO C A 117 PRO N A 117 PRO CA A 117 PRO C 1.0 -113.0 -47.0 PHI 175 175 A 117 PRO N A 117 PRO CA A 117 PRO C A 118 VAL N 1.0 122.0 170.0 PSI stop_ save_