data_nef_c19947_2mop 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 19963 PDB 2MOP stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 5 CYS SG 1 24 CYS SG 1 16 CYS SG 1 34 CYS SG 1 18 CYS SG 1 29 CYS SG 1 28 CYS SG 1 51 CYS SG 1 42 CYS SG 1 48 CYS SG 1 47 CYS SG 1 72 CYS SG 1 60 CYS SG 1 79 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 1 1 SER start . . 2 1 2 PRO middle . false 3 1 3 PRO middle . false 4 1 4 VAL middle . . 5 1 5 CYS middle -HG . 6 1 6 GLY middle . false 7 1 7 ASN middle . . 8 1 8 LYS middle . . 9 1 9 ILE middle . . 10 1 10 LEU middle . . 11 1 11 GLU middle . . 12 1 12 GLN middle . . 13 1 13 GLY middle . false 14 1 14 GLU middle . . 15 1 15 ASP middle . . 16 1 16 CYS middle -HG . 17 1 17 ASP middle . . 18 1 18 CYS middle -HG . 19 1 19 GLY middle . false 20 1 20 SER middle . . 21 1 21 PRO middle . false 22 1 22 ALA middle . . 23 1 23 ASN middle . . 24 1 24 CYS middle -HG . 25 1 25 GLN middle . . 26 1 26 ASP middle . . 27 1 27 ARG middle . . 28 1 28 CYS middle -HG . 29 1 29 CYS middle -HG . 30 1 30 ASN middle . . 31 1 31 ALA middle . . 32 1 32 ALA middle . . 33 1 33 THR middle . . 34 1 34 CYS middle -HG . 35 1 35 LYS middle . . 36 1 36 LEU middle . . 37 1 37 THR middle . . 38 1 38 PRO middle . false 39 1 39 GLY middle . false 40 1 40 SER middle . . 41 1 41 GLN middle . . 42 1 42 CYS middle -HG . 43 1 43 ASN middle . . 44 1 44 TYR middle . . 45 1 45 GLY middle . false 46 1 46 GLU middle . . 47 1 47 CYS middle -HG . 48 1 48 CYS middle -HG . 49 1 49 ASP middle . . 50 1 50 GLN middle . . 51 1 51 CYS middle -HG . 52 1 52 ARG middle . . 53 1 53 PHE middle . . 54 1 54 LYS middle . . 55 1 55 LYS middle . . 56 1 56 ALA middle . . 57 1 57 GLY middle . false 58 1 58 THR middle . . 59 1 59 VAL middle . . 60 1 60 CYS middle -HG . 61 1 61 ARG middle . . 62 1 62 ILE middle . . 63 1 63 ALA middle . . 64 1 64 ARG middle . . 65 1 65 GLY middle . false 66 1 66 ASP middle . . 67 1 67 TRP middle . . 68 1 68 ASN middle . . 69 1 69 ASP middle . . 70 1 70 ASP middle . . 71 1 71 TYR middle . . 72 1 72 CYS middle -HG . 73 1 73 THR middle . . 74 1 74 GLY middle . false 75 1 75 LYS middle . . 76 1 76 SER middle . . 77 1 77 SER middle . . 78 1 78 ASP middle . . 79 1 79 CYS middle -HG . 80 1 80 PRO middle . false 81 1 81 TRP middle . . 82 1 82 ASN middle . . 83 1 83 HIS 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 1 1 SER HA H 1 4.49 0.01 1 1 SER HBx H 1 3.95 0.01 1 1 SER HBy H 1 4.09 0.01 1 1 SER CA C 13 56.7 0.1 1 1 SER CB C 13 61.4 0.1 1 2 PRO HA H 1 4.82 0.01 1 2 PRO HBx H 1 1.94 0.01 1 2 PRO HBy H 1 2.47 0.01 1 2 PRO HDx H 1 3.69 0.01 1 2 PRO HDy H 1 3.82 0.01 1 2 PRO HGx H 1 2.06 0.01 1 2 PRO HGy H 1 2.12 0.01 1 2 PRO CA C 13 61.9 0.1 1 2 PRO CB C 13 30.7 0.1 1 2 PRO CD C 13 50.6 0.1 1 2 PRO CG C 13 27.5 0.1 1 3 PRO HA H 1 4.54 0.01 1 3 PRO HBx H 1 1.95 0.01 1 3 PRO HBy H 1 2.34 0.01 1 3 PRO HDx H 1 3.71 0.01 1 3 PRO HDy H 1 3.87 0.01 1 3 PRO HG2 H 1 2.08 0.01 1 3 PRO HG3 H 1 2.08 0.01 1 3 PRO CA C 13 62.9 0.1 1 3 PRO CB C 13 32.1 0.1 1 3 PRO CD C 13 50.5 0.1 1 3 PRO CG C 13 27.5 0.1 1 4 VAL H H 1 8.33 0.01 1 4 VAL HA H 1 4.20 0.01 1 4 VAL HB H 1 2.14 0.01 1 4 VAL HG1% H 1 1.00 0.01 1 4 VAL HG2% H 1 1.00 0.01 1 4 VAL CA C 13 62.3 0.1 1 4 VAL CB C 13 32.8 0.1 1 4 VAL CGx C 13 20.6 0.1 1 4 VAL CGy C 13 21.5 0.1 1 4 VAL N N 15 121.9 0.1 1 5 CYS H H 1 8.50 0.01 1 5 CYS HA H 1 4.70 0.01 1 5 CYS HBx H 1 3.05 0.01 1 5 CYS HBy H 1 3.31 0.01 1 5 CYS CA C 13 53.6 0.1 1 5 CYS N N 15 120.9 0.1 1 6 GLY H H 1 8.49 0.01 1 6 GLY HAx H 1 3.88 0.01 1 6 GLY HAy H 1 3.92 0.01 1 6 GLY CA C 13 46.3 0.1 1 6 GLY N N 15 110.2 0.1 1 7 ASN H H 1 8.32 0.01 1 7 ASN HA H 1 4.73 0.01 1 7 ASN HBx H 1 2.84 0.01 1 7 ASN HBy H 1 2.89 0.01 1 7 ASN HD2x H 1 6.96 0.01 1 7 ASN HD2y H 1 7.65 0.01 1 7 ASN CA C 13 53.2 0.1 1 7 ASN CB C 13 38.7 0.1 1 7 ASN N N 15 120.1 0.1 1 7 ASN ND2 N 15 112.6 0.1 1 8 LYS H H 1 8.26 0.01 1 8 LYS HA H 1 4.34 0.01 1 8 LYS HBx H 1 1.82 0.01 1 8 LYS HBy H 1 1.88 0.01 1 8 LYS HD2 H 1 1.73 0.01 1 8 LYS HD3 H 1 1.73 0.01 1 8 LYS HE2 H 1 3.05 0.01 1 8 LYS HE3 H 1 3.05 0.01 1 8 LYS HGx H 1 1.43 0.01 1 8 LYS HGy H 1 1.49 0.01 1 8 LYS CA C 13 56.6 0.1 1 8 LYS CB C 13 32.9 0.1 1 8 LYS CD C 13 29.0 0.1 1 8 LYS CE C 13 41.9 0.1 1 8 LYS CG C 13 24.8 0.1 1 8 LYS N N 15 121.3 0.1 1 9 ILE H H 1 8.15 0.01 1 9 ILE HA H 1 4.14 0.01 1 9 ILE HB H 1 1.92 0.01 1 9 ILE HD1% H 1 0.88 0.01 1 9 ILE HG1x H 1 1.22 0.01 1 9 ILE HG1y H 1 1.51 0.01 1 9 ILE HG2% H 1 0.93 0.01 1 9 ILE CA C 13 61.3 0.1 1 9 ILE CB C 13 38.2 0.1 1 9 ILE CD1 C 13 12.6 0.1 1 9 ILE CG1 C 13 27.4 0.1 1 9 ILE CG2 C 13 17.6 0.1 1 9 ILE N N 15 136.6 0.1 1 10 LEU H H 1 8.23 0.01 1 10 LEU HA H 1 4.42 0.01 1 10 LEU HBx H 1 1.64 0.01 1 10 LEU HBy H 1 1.73 0.01 1 10 LEU HDx% H 1 0.89 0.01 1 10 LEU HDy% H 1 0.97 0.01 1 10 LEU HG H 1 1.64 0.01 1 10 LEU CA C 13 55.2 0.1 1 10 LEU CB C 13 42.3 0.1 1 10 LEU CDx C 13 23.4 0.1 1 10 LEU CDy C 13 25.0 0.1 1 10 LEU CG C 13 27.0 0.1 1 10 LEU N N 15 125.7 0.1 1 11 GLU H H 1 8.25 0.01 1 11 GLU HA H 1 4.47 0.01 1 11 GLU HBx H 1 2.02 0.01 1 11 GLU HBy H 1 2.17 0.01 1 11 GLU HG2 H 1 2.50 0.01 1 11 GLU HG3 H 1 2.50 0.01 1 11 GLU CA C 13 55.5 0.1 1 11 GLU CB C 13 28.9 0.1 1 11 GLU CG C 13 32.9 0.1 1 11 GLU N N 15 120.6 0.1 1 12 GLN H H 1 8.46 0.01 1 12 GLN HA H 1 4.35 0.01 1 12 GLN HBx H 1 2.10 0.01 1 12 GLN HBy H 1 2.20 0.01 1 12 GLN HE2x H 1 6.93 0.01 1 12 GLN HE2y H 1 7.61 0.01 1 12 GLN HG2 H 1 2.45 0.01 1 12 GLN HG3 H 1 2.45 0.01 1 12 GLN CA C 13 56.6 0.1 1 12 GLN CB C 13 29.2 0.1 1 12 GLN CG C 13 33.7 0.1 1 12 GLN N N 15 121.6 0.1 1 12 GLN NE2 N 15 112.3 0.1 1 13 GLY H H 1 8.66 0.01 1 13 GLY HAx H 1 3.85 0.01 1 13 GLY HAy H 1 4.16 0.01 1 13 GLY CA C 13 45.7 0.1 1 13 GLY N N 15 110.7 0.1 1 14 GLU H H 1 8.23 0.01 1 14 GLU HA H 1 4.53 0.01 1 14 GLU HBx H 1 2.07 0.01 1 14 GLU HBy H 1 2.26 0.01 1 14 GLU HG2 H 1 2.50 0.01 1 14 GLU HG3 H 1 2.50 0.01 1 14 GLU CA C 13 55.6 0.1 1 14 GLU CB C 13 29.7 0.1 1 14 GLU CG C 13 33.1 0.1 1 14 GLU N N 15 118.9 0.1 1 15 ASP H H 1 8.33 0.01 1 15 ASP HA H 1 4.99 0.01 1 15 ASP HBx H 1 2.88 0.01 1 15 ASP HBy H 1 2.99 0.01 1 15 ASP CA C 13 53.5 0.1 1 15 ASP CB C 13 39.7 0.1 1 15 ASP N N 15 118.4 0.1 1 16 CYS H H 1 8.51 0.01 1 16 CYS HA H 1 4.34 0.01 1 16 CYS HBx H 1 2.88 0.01 1 16 CYS HBy H 1 3.05 0.01 1 17 ASP H H 1 8.18 0.01 1 17 ASP HA H 1 4.74 0.01 1 17 ASP HB2 H 1 3.12 0.01 1 17 ASP HB3 H 1 3.12 0.01 1 17 ASP CA C 13 53.1 0.1 1 17 ASP CB C 13 38.6 0.1 1 17 ASP N N 15 116.7 0.1 1 18 CYS HA H 1 4.73 0.01 1 18 CYS HBx H 1 3.13 0.01 1 18 CYS HBy H 1 3.35 0.01 1 18 CYS CB C 13 41.9 0.1 1 19 GLY H H 1 8.22 0.01 1 19 GLY HAx H 1 3.85 0.01 1 19 GLY HAy H 1 4.01 0.01 1 20 SER H H 1 7.83 0.01 1 20 SER HA H 1 4.92 0.01 1 20 SER HB2 H 1 4.08 0.01 1 20 SER HB3 H 1 4.08 0.01 1 20 SER CA C 13 55.7 0.1 1 20 SER CB C 13 63.5 0.1 1 21 PRO HA H 1 4.24 0.01 1 21 PRO HBx H 1 2.01 0.01 1 21 PRO HBy H 1 2.43 0.01 1 21 PRO HD2 H 1 3.87 0.01 1 21 PRO HD3 H 1 3.87 0.01 1 21 PRO HG2 H 1 2.15 0.01 1 21 PRO HG3 H 1 2.15 0.01 1 21 PRO CA C 13 63.4 0.1 1 21 PRO CB C 13 31.8 0.1 1 21 PRO CD C 13 50.6 0.1 1 21 PRO CG C 13 28.0 0.1 1 22 ALA H H 1 8.18 0.01 1 22 ALA HA H 1 4.22 0.01 1 22 ALA HB% H 1 1.41 0.01 1 22 ALA CA C 13 54.2 0.1 1 22 ALA CB C 13 18.5 0.1 1 22 ALA N N 15 119.9 0.1 1 23 ASN H H 1 7.96 0.01 1 23 ASN HA H 1 4.67 0.01 1 23 ASN HB2 H 1 2.89 0.01 1 23 ASN HB3 H 1 2.89 0.01 1 23 ASN HD2x H 1 6.91 0.01 1 23 ASN HD2y H 1 7.68 0.01 1 23 ASN CA C 13 53.2 0.1 1 23 ASN CB C 13 39.3 0.1 1 23 ASN N N 15 116.3 0.1 1 23 ASN ND2 N 15 111.8 0.1 1 24 CYS H H 1 8.51 0.01 1 24 CYS HA H 1 4.72 0.01 1 25 GLN H H 1 8.32 0.01 1 25 GLN HA H 1 4.46 0.01 1 25 GLN HE2x H 1 6.75 0.01 1 25 GLN HE2y H 1 7.51 0.01 1 25 GLN HGx H 1 2.44 0.01 1 25 GLN HGy H 1 2.47 0.01 1 25 GLN CG C 13 33.6 0.1 1 25 GLN NE2 N 15 111.8 0.1 1 26 ASP H H 1 8.58 0.01 1 26 ASP HA H 1 4.74 0.01 1 26 ASP HBx H 1 2.73 0.01 1 26 ASP HBy H 1 2.82 0.01 1 27 ARG H H 1 8.55 0.01 1 27 ARG HA H 1 4.68 0.01 1 27 ARG HBx H 1 1.91 0.01 1 27 ARG HBy H 1 2.03 0.01 1 27 ARG HD2 H 1 3.27 0.01 1 27 ARG HD3 H 1 3.27 0.01 1 27 ARG HE H 1 7.26 0.01 1 27 ARG HGx H 1 1.75 0.01 1 27 ARG HGy H 1 1.78 0.01 1 27 ARG CA C 13 54.7 0.1 1 27 ARG CD C 13 43.2 0.1 1 27 ARG CG C 13 27.1 0.1 1 28 CYS H H 1 8.91 0.01 1 28 CYS HA H 1 4.12 0.01 1 28 CYS HB2 H 1 1.47 0.01 1 28 CYS HB3 H 1 1.47 0.01 1 28 CYS CA C 13 54.4 0.1 1 28 CYS CB C 13 19.0 0.1 1 29 CYS H H 1 7.73 0.01 1 29 CYS HA H 1 5.01 0.01 1 29 CYS HBx H 1 2.70 0.01 1 29 CYS HBy H 1 2.88 0.01 1 29 CYS CA C 13 54.3 0.1 1 29 CYS N N 15 113.3 0.1 1 30 ASN H H 1 8.87 0.01 1 30 ASN HA H 1 4.73 0.01 1 30 ASN HBx H 1 2.52 0.01 1 30 ASN HBy H 1 3.42 0.01 1 30 ASN HD2x H 1 7.20 0.01 1 30 ASN HD2y H 1 7.67 0.01 1 30 ASN CB C 13 38.7 0.1 1 30 ASN ND2 N 15 112.8 0.1 1 31 ALA H H 1 8.89 0.01 1 31 ALA HA H 1 4.12 0.01 1 31 ALA HB% H 1 1.47 0.01 1 31 ALA CA C 13 54.4 0.1 1 31 ALA CB C 13 19.0 0.1 1 31 ALA N N 15 129.4 0.1 1 32 ALA H H 1 8.25 0.01 1 32 ALA HA H 1 4.34 0.01 1 32 ALA HB% H 1 1.55 0.01 1 32 ALA CA C 13 53.8 0.1 1 32 ALA CB C 13 19.1 0.1 1 32 ALA N N 15 116.4 0.1 1 33 THR H H 1 7.32 0.01 1 33 THR HA H 1 4.43 0.01 1 33 THR HB H 1 4.35 0.01 1 33 THR HG2% H 1 1.14 0.01 1 33 THR CA C 13 60.5 0.1 1 33 THR CB C 13 70.6 0.1 1 33 THR CG2 C 13 21.5 0.1 1 33 THR N N 15 104.3 0.1 1 34 CYS H H 1 8.71 0.01 1 34 CYS HA H 1 4.17 0.01 1 34 CYS HBx H 1 3.30 0.01 1 34 CYS HBy H 1 3.70 0.01 1 34 CYS CA C 13 56.5 0.1 1 34 CYS N N 15 123.4 0.1 1 35 LYS H H 1 7.45 0.01 1 35 LYS HA H 1 4.96 0.01 1 35 LYS HBx H 1 1.66 0.01 1 35 LYS HBy H 1 1.91 0.01 1 35 LYS HDx H 1 1.63 0.01 1 35 LYS HDy H 1 1.76 0.01 1 35 LYS HE2 H 1 3.04 0.01 1 35 LYS HE3 H 1 3.04 0.01 1 35 LYS HGx H 1 1.45 0.01 1 35 LYS HGy H 1 1.50 0.01 1 35 LYS HZ1 H 1 7.58 0.01 1 35 LYS HZ2 H 1 7.58 0.01 1 35 LYS HZ3 H 1 7.58 0.01 1 35 LYS CA C 13 53.9 0.1 1 35 LYS CB C 13 35.9 0.1 1 35 LYS CD C 13 28.9 0.1 1 35 LYS CE C 13 42.3 0.1 1 35 LYS CG C 13 24.8 0.1 1 35 LYS N N 15 116.9 0.1 1 36 LEU H H 1 8.29 0.01 1 36 LEU HA H 1 4.80 0.01 1 36 LEU HBx H 1 1.43 0.01 1 36 LEU HBy H 1 1.65 0.01 1 36 LEU HDx% H 1 0.61 0.01 1 36 LEU HDy% H 1 0.68 0.01 1 36 LEU HG H 1 1.51 0.01 1 36 LEU CB C 13 42.4 0.1 1 36 LEU CDy C 13 25.8 0.1 1 36 LEU CDx C 13 23.2 0.1 1 36 LEU CG C 13 27.1 0.1 1 36 LEU N N 15 119.3 0.1 1 37 THR H H 1 8.38 0.01 1 37 THR HA H 1 4.34 0.01 1 37 THR HB H 1 4.49 0.01 1 37 THR HG2% H 1 1.19 0.01 1 37 THR CA C 13 60.2 0.1 1 37 THR CB C 13 67.7 0.1 1 37 THR CG2 C 13 22.9 0.1 1 38 PRO HA H 1 4.38 0.01 1 38 PRO HBx H 1 1.95 0.01 1 38 PRO HBy H 1 2.38 0.01 1 38 PRO HDx H 1 3.70 0.01 1 38 PRO HDy H 1 3.93 0.01 1 38 PRO HGx H 1 2.08 0.01 1 38 PRO HGy H 1 2.21 0.01 1 38 PRO CA C 13 64.8 0.1 1 38 PRO CB C 13 31.5 0.1 1 38 PRO CD C 13 50.7 0.1 1 38 PRO CG C 13 28.0 0.1 1 39 GLY H H 1 8.83 0.01 1 39 GLY HAx H 1 3.67 0.01 1 39 GLY HAy H 1 4.29 0.01 1 39 GLY CA C 13 45.1 0.1 1 39 GLY N N 15 113.3 0.1 1 40 SER H H 1 8.28 0.01 1 40 SER HA H 1 4.61 0.01 1 40 SER HBx H 1 3.92 0.01 1 40 SER HBy H 1 4.36 0.01 1 40 SER CA C 13 58.8 0.1 1 40 SER CB C 13 63.8 0.1 1 40 SER N N 15 116.7 0.1 1 41 GLN H H 1 9.19 0.01 1 41 GLN HA H 1 4.11 0.01 1 41 GLN HBx H 1 0.57 0.01 1 41 GLN HBy H 1 1.01 0.01 1 41 GLN HE2x H 1 7.07 0.01 1 41 GLN HE2y H 1 7.78 0.01 1 41 GLN HG2 H 1 2.11 0.01 1 41 GLN HG3 H 1 2.11 0.01 1 41 GLN CA C 13 55.2 0.1 1 41 GLN CB C 13 31.1 0.1 1 41 GLN CG C 13 34.1 0.1 1 41 GLN N N 15 120.6 0.1 1 41 GLN NE2 N 15 114.2 0.1 1 42 CYS H H 1 7.71 0.01 1 42 CYS HA H 1 4.63 0.01 1 42 CYS HBx H 1 3.26 0.01 1 42 CYS HBy H 1 3.89 0.01 1 42 CYS CA C 13 53.7 0.1 1 42 CYS CB C 13 45.5 0.1 1 42 CYS N N 15 113.2 0.1 1 43 ASN H H 1 8.87 0.01 1 43 ASN HA H 1 4.94 0.01 1 43 ASN HB2 H 1 2.61 0.01 1 43 ASN HB3 H 1 2.61 0.01 1 43 ASN HD2x H 1 7.28 0.01 1 43 ASN HD2y H 1 8.06 0.01 1 43 ASN CA C 13 53.0 0.1 1 43 ASN CB C 13 39.3 0.1 1 43 ASN N N 15 114.2 0.1 1 44 TYR H H 1 7.84 0.01 1 44 TYR HA H 1 4.85 0.01 1 44 TYR HBx H 1 3.04 0.01 1 44 TYR HBy H 1 3.17 0.01 1 44 TYR HD1 H 1 7.15 0.01 1 44 TYR HD2 H 1 7.15 0.01 1 44 TYR HE1 H 1 6.93 0.01 1 44 TYR HE2 H 1 6.93 0.01 1 44 TYR CA C 13 55.3 0.1 1 44 TYR CB C 13 40.7 0.1 1 44 TYR N N 15 118.4 0.1 1 45 GLY H H 1 7.96 0.01 1 45 GLY HAx H 1 3.71 0.01 1 45 GLY HAy H 1 4.76 0.01 1 45 GLY CA C 13 44.0 0.1 1 45 GLY N N 15 110.6 0.1 1 46 GLU H H 1 9.16 0.01 1 46 GLU HA H 1 4.28 0.01 1 46 GLU HBx H 1 2.06 0.01 1 46 GLU HBy H 1 2.24 0.01 1 46 GLU HG2 H 1 2.72 0.01 1 46 GLU HG3 H 1 2.72 0.01 1 46 GLU CA C 13 58.5 0.1 1 46 GLU CB C 13 29.3 0.1 1 46 GLU CG C 13 34.7 0.1 1 46 GLU N N 15 120.7 0.1 1 47 CYS H H 1 8.51 0.01 1 47 CYS HA H 1 4.85 0.01 1 47 CYS HBx H 1 2.43 0.01 1 47 CYS HBy H 1 3.88 0.01 1 47 CYS CA C 13 57.1 0.1 1 47 CYS CB C 13 41.2 0.1 1 47 CYS N N 15 112.4 0.1 1 48 CYS H H 1 7.81 0.01 1 48 CYS HA H 1 5.16 0.01 1 48 CYS HBx H 1 2.49 0.01 1 48 CYS HBy H 1 3.03 0.01 1 48 CYS CA C 13 54.7 0.1 1 48 CYS CB C 13 45.7 0.1 1 48 CYS N N 15 123.2 0.1 1 49 ASP H H 1 9.67 0.01 1 49 ASP HA H 1 4.89 0.01 1 49 ASP HBx H 1 2.53 0.01 1 49 ASP HBy H 1 2.74 0.01 1 49 ASP CA C 13 53.5 0.1 1 49 ASP CB C 13 42.4 0.1 1 49 ASP N N 15 127.4 0.1 1 50 GLN H H 1 9.45 0.01 1 50 GLN HA H 1 3.94 0.01 1 50 GLN HBx H 1 2.05 0.01 1 50 GLN HBy H 1 2.20 0.01 1 50 GLN HE2x H 1 6.87 0.01 1 50 GLN HE2y H 1 7.58 0.01 1 50 GLN HGx H 1 2.31 0.01 1 50 GLN HGy H 1 2.43 0.01 1 50 GLN CA C 13 56.8 0.1 1 50 GLN CB C 13 26.5 0.1 1 50 GLN CG C 13 33.9 0.1 1 50 GLN N N 15 127.0 0.1 1 50 GLN NE2 N 15 112.5 0.1 1 51 CYS H H 1 8.70 0.01 1 51 CYS HA H 1 4.76 0.01 1 51 CYS HBx H 1 3.41 0.01 1 51 CYS HBy H 1 3.77 0.01 1 51 CYS CB C 13 43.2 0.1 1 51 CYS N N 15 106.1 0.1 1 52 ARG H H 1 7.96 0.01 1 52 ARG HA H 1 4.69 0.01 1 52 ARG HBx H 1 1.74 0.01 1 52 ARG HBy H 1 1.94 0.01 1 52 ARG HDx H 1 3.19 0.01 1 52 ARG HDy H 1 3.24 0.01 1 52 ARG HE H 1 7.14 0.01 1 52 ARG HGx H 1 1.69 0.01 1 52 ARG HGy H 1 1.74 0.01 1 52 ARG HH11 H 1 6.59 0.01 1 52 ARG HH12 H 1 6.59 0.01 1 52 ARG HH21 H 1 6.59 0.01 1 52 ARG HH22 H 1 6.59 0.01 1 52 ARG CA C 13 55.4 0.1 1 52 ARG CB C 13 33.1 0.1 1 52 ARG CD C 13 42.5 0.1 1 52 ARG CG C 13 26.8 0.1 1 52 ARG N N 15 121.0 0.1 1 53 PHE H H 1 8.40 0.01 1 53 PHE HA H 1 5.05 0.01 1 53 PHE HBx H 1 2.66 0.01 1 53 PHE HBy H 1 3.05 0.01 1 53 PHE HD1 H 1 6.96 0.01 1 53 PHE HD2 H 1 6.96 0.01 1 53 PHE HE1 H 1 7.21 0.01 1 53 PHE HE2 H 1 7.21 0.01 1 53 PHE CA C 13 56.1 0.1 1 53 PHE CB C 13 38.2 0.1 1 53 PHE N N 15 120.3 0.1 1 54 LYS H H 1 8.54 0.01 1 54 LYS HA H 1 4.25 0.01 1 54 LYS HB2 H 1 1.88 0.01 1 54 LYS HB3 H 1 1.88 0.01 1 54 LYS HDx H 1 1.97 0.01 1 54 LYS HDy H 1 2.01 0.01 1 54 LYS HEx H 1 2.90 0.01 1 54 LYS HEy H 1 3.06 0.01 1 54 LYS HGx H 1 1.15 0.01 1 54 LYS HGy H 1 1.63 0.01 1 54 LYS HZ1 H 1 7.68 0.01 1 54 LYS HZ2 H 1 7.68 0.01 1 54 LYS HZ3 H 1 7.68 0.01 1 54 LYS CA C 13 57.5 0.1 1 54 LYS CB C 13 34.3 0.1 1 54 LYS CD C 13 30.7 0.1 1 54 LYS CE C 13 42.2 0.1 1 54 LYS CG C 13 27.9 0.1 1 54 LYS N N 15 123.3 0.1 1 55 LYS H H 1 8.44 0.01 1 55 LYS HA H 1 4.11 0.01 1 55 LYS HBx H 1 1.76 0.01 1 55 LYS HBy H 1 1.79 0.01 1 55 LYS HD2 H 1 1.75 0.01 1 55 LYS HD3 H 1 1.75 0.01 1 55 LYS HE2 H 1 3.08 0.01 1 55 LYS HE3 H 1 3.08 0.01 1 55 LYS HGx H 1 1.56 0.01 1 55 LYS HGy H 1 1.63 0.01 1 55 LYS CA C 13 56.5 0.1 1 55 LYS CB C 13 33.4 0.1 1 55 LYS CD C 13 29.2 0.1 1 55 LYS CE C 13 41.8 0.1 1 55 LYS CG C 13 24.6 0.1 1 55 LYS N N 15 119.4 0.1 1 56 ALA H H 1 8.93 0.01 1 56 ALA HA H 1 3.92 0.01 1 56 ALA HB% H 1 1.31 0.01 1 56 ALA CA C 13 52.9 0.1 1 56 ALA CB C 13 18.1 0.1 1 56 ALA N N 15 126.7 0.1 1 57 GLY H H 1 8.46 0.01 1 57 GLY HAx H 1 3.48 0.01 1 57 GLY HAy H 1 4.32 0.01 1 57 GLY CA C 13 45.1 0.1 1 57 GLY N N 15 109.3 0.1 1 58 THR H H 1 7.66 0.01 1 58 THR HA H 1 4.26 0.01 1 58 THR HB H 1 3.78 0.01 1 58 THR HG2% H 1 1.37 0.01 1 58 THR CA C 13 63.3 0.1 1 58 THR CB C 13 69.6 0.1 1 58 THR CG2 C 13 21.7 0.1 1 58 THR N N 15 117.2 0.1 1 59 VAL H H 1 9.19 0.01 1 59 VAL HA H 1 3.90 0.01 1 59 VAL HB H 1 2.06 0.01 1 59 VAL HGx% H 1 0.86 0.01 1 59 VAL HGy% H 1 1.05 0.01 1 59 VAL CA C 13 64.4 0.1 1 59 VAL CB C 13 31.9 0.1 1 59 VAL CGx C 13 20.8 0.1 1 59 VAL CGy C 13 22.6 0.1 1 59 VAL N N 15 130.4 0.1 1 60 CYS H H 1 9.13 0.01 1 60 CYS HA H 1 5.05 0.01 1 60 CYS HBx H 1 3.01 0.01 1 60 CYS HBy H 1 3.13 0.01 1 60 CYS CA C 13 54.4 0.1 1 60 CYS CB C 13 43.0 0.1 1 60 CYS N N 15 121.8 0.1 1 61 ARG H H 1 7.58 0.01 1 61 ARG HA H 1 4.36 0.01 1 61 ARG HBx H 1 1.65 0.01 1 61 ARG HBy H 1 1.80 0.01 1 61 ARG HDx H 1 2.75 0.01 1 61 ARG HDy H 1 3.05 0.01 1 61 ARG HE H 1 6.75 0.01 1 61 ARG HGx H 1 1.38 0.01 1 61 ARG HGy H 1 1.52 0.01 1 61 ARG HH11 H 1 5.98 0.01 1 61 ARG HH12 H 1 5.98 0.01 1 61 ARG HH21 H 1 5.98 0.01 1 61 ARG HH22 H 1 5.98 0.01 1 61 ARG CA C 13 56.8 0.1 1 61 ARG CB C 13 32.8 0.1 1 61 ARG CD C 13 42.7 0.1 1 61 ARG CG C 13 28.2 0.1 1 61 ARG N N 15 124.1 0.1 1 62 ILE H H 1 8.49 0.01 1 62 ILE HA H 1 4.09 0.01 1 62 ILE HB H 1 1.74 0.01 1 62 ILE HD1% H 1 0.81 0.01 1 62 ILE HG1x H 1 1.08 0.01 1 62 ILE HG1y H 1 1.38 0.01 1 62 ILE HG2% H 1 0.89 0.01 1 62 ILE CA C 13 60.3 0.1 1 62 ILE CB C 13 38.7 0.1 1 62 ILE CD1 C 13 12.8 0.1 1 62 ILE CG1 C 13 27.4 0.1 1 62 ILE CG2 C 13 17.4 0.1 1 62 ILE N N 15 126.2 0.1 1 63 ALA H H 1 8.10 0.01 1 63 ALA HA H 1 4.31 0.01 1 63 ALA HB% H 1 1.29 0.01 1 63 ALA CA C 13 51.9 0.1 1 63 ALA CB C 13 20.6 0.1 1 63 ALA N N 15 129.4 0.1 1 64 ARG H H 1 8.14 0.01 1 64 ARG HA H 1 4.29 0.01 1 64 ARG HBx H 1 1.80 0.01 1 64 ARG HBy H 1 1.89 0.01 1 64 ARG HD2 H 1 3.24 0.01 1 64 ARG HD3 H 1 3.24 0.01 1 64 ARG HE H 1 7.23 0.01 1 64 ARG HGx H 1 1.65 0.01 1 64 ARG HGy H 1 1.70 0.01 1 64 ARG CA C 13 56.2 0.1 1 64 ARG CB C 13 30.5 0.1 1 64 ARG CD C 13 43.2 0.1 1 64 ARG CG C 13 27.0 0.1 1 64 ARG N N 15 120.5 0.1 1 65 GLY H H 1 8.04 0.01 1 65 GLY HAx H 1 3.56 0.01 1 65 GLY HAy H 1 3.71 0.01 1 65 GLY CA C 13 45.1 0.1 1 65 GLY N N 15 110.5 0.1 1 66 ASP H H 1 8.38 0.01 1 66 ASP HA H 1 4.61 0.01 1 66 ASP HBx H 1 2.76 0.01 1 66 ASP HBy H 1 2.84 0.01 1 66 ASP CA C 13 53.3 0.1 1 66 ASP CB C 13 37.6 0.1 1 66 ASP N N 15 120.7 0.1 1 67 TRP H H 1 7.95 0.01 1 67 TRP HA H 1 4.76 0.01 1 67 TRP HBx H 1 3.35 0.01 1 67 TRP HBy H 1 3.44 0.01 1 67 TRP HD1 H 1 7.31 0.01 1 67 TRP HE1 H 1 10.18 0.01 1 67 TRP HE3 H 1 7.70 0.01 1 67 TRP HH2 H 1 7.28 0.01 1 67 TRP HZ2 H 1 7.51 0.01 1 67 TRP HZ3 H 1 7.21 0.01 1 67 TRP CA C 13 57.2 0.1 1 67 TRP CB C 13 29.1 0.1 1 67 TRP N N 15 120.1 0.1 1 67 TRP NE1 N 15 129.6 0.1 1 68 ASN H H 1 8.18 0.01 1 68 ASN HA H 1 4.79 0.01 1 68 ASN HBx H 1 2.63 0.01 1 68 ASN HBy H 1 2.88 0.01 1 68 ASN HD2x H 1 6.95 0.01 1 68 ASN HD2y H 1 7.59 0.01 1 68 ASN CA C 13 52.8 0.1 1 68 ASN CB C 13 39.3 0.1 1 68 ASN N N 15 118.4 0.1 1 68 ASN ND2 N 15 112.8 0.1 1 69 ASP H H 1 8.13 0.01 1 69 ASP HA H 1 4.62 0.01 1 69 ASP HBx H 1 2.56 0.01 1 69 ASP HBy H 1 2.68 0.01 1 69 ASP CA C 13 53.2 0.1 1 69 ASP CB C 13 38.0 0.1 1 69 ASP N N 15 118.5 0.1 1 70 ASP H H 1 8.14 0.01 1 70 ASP HA H 1 5.10 0.01 1 70 ASP HBx H 1 2.36 0.01 1 70 ASP HBy H 1 2.90 0.01 1 70 ASP CA C 13 52.5 0.1 1 70 ASP CB C 13 42.6 0.1 1 70 ASP N N 15 120.5 0.1 1 71 TYR H H 1 8.45 0.01 1 71 TYR HA H 1 5.21 0.01 1 71 TYR HB2 H 1 2.66 0.01 1 71 TYR HB3 H 1 2.66 0.01 1 71 TYR HD1 H 1 6.96 0.01 1 71 TYR HD2 H 1 6.96 0.01 1 71 TYR HE1 H 1 6.79 0.01 1 71 TYR HE2 H 1 6.79 0.01 1 71 TYR CA C 13 56.3 0.1 1 71 TYR CB C 13 42.2 0.1 1 71 TYR N N 15 118.9 0.1 1 72 CYS H H 1 9.33 0.01 1 72 CYS HA H 1 4.90 0.01 1 72 CYS HBx H 1 2.53 0.01 1 72 CYS HBy H 1 3.98 0.01 1 72 CYS CA C 13 53.4 0.1 1 72 CYS CB C 13 37.2 0.1 1 72 CYS N N 15 119.8 0.1 1 73 THR H H 1 9.98 0.01 1 73 THR HA H 1 4.43 0.01 1 73 THR HB H 1 4.47 0.01 1 73 THR HG2% H 1 1.42 0.01 1 73 THR CA C 13 62.3 0.1 1 73 THR CB C 13 71.3 0.1 1 73 THR CG2 C 13 21.2 0.1 1 73 THR N N 15 112.7 0.1 1 74 GLY H H 1 8.58 0.01 1 74 GLY HAx H 1 4.32 0.01 1 74 GLY HAy H 1 4.44 0.01 1 74 GLY CA C 13 45.3 0.1 1 74 GLY N N 15 111.5 0.1 1 75 LYS H H 1 7.90 0.01 1 75 LYS HA H 1 4.14 0.01 1 75 LYS HBx H 1 1.46 0.01 1 75 LYS HBy H 1 1.89 0.01 1 75 LYS HDx H 1 1.65 0.01 1 75 LYS HDy H 1 1.71 0.01 1 75 LYS HE2 H 1 3.01 0.01 1 75 LYS HE3 H 1 3.01 0.01 1 75 LYS HG2 H 1 1.25 0.01 1 75 LYS HG3 H 1 1.25 0.01 1 75 LYS HZ1 H 1 7.58 0.01 1 75 LYS HZ2 H 1 7.58 0.01 1 75 LYS HZ3 H 1 7.58 0.01 1 75 LYS CA C 13 54.8 0.1 1 75 LYS CB C 13 34.2 0.1 1 75 LYS CD C 13 29.1 0.1 1 75 LYS CE C 13 41.9 0.1 1 75 LYS CG C 13 24.3 0.1 1 75 LYS N N 15 115.9 0.1 1 76 SER H H 1 6.52 0.01 1 76 SER HA H 1 4.16 0.01 1 76 SER HBx H 1 3.64 0.01 1 76 SER HBy H 1 3.95 0.01 1 76 SER CA C 13 61.4 0.1 1 76 SER CB C 13 64.3 0.1 1 76 SER N N 15 111.0 0.1 1 77 SER H H 1 9.03 0.01 1 77 SER HA H 1 4.22 0.01 1 77 SER HBx H 1 3.89 0.01 1 77 SER HBy H 1 4.52 0.01 1 77 SER CA C 13 59.8 0.1 1 77 SER CB C 13 64.4 0.1 1 77 SER N N 15 117.1 0.1 1 78 ASP H H 1 8.34 0.01 1 78 ASP HA H 1 4.93 0.01 1 78 ASP HBx H 1 2.64 0.01 1 78 ASP HBy H 1 2.77 0.01 1 78 ASP CA C 13 52.4 0.1 1 78 ASP CB C 13 40.8 0.1 1 78 ASP N N 15 122.1 0.1 1 79 CYS H H 1 8.96 0.01 1 79 CYS HA H 1 5.32 0.01 1 79 CYS HBx H 1 2.63 0.01 1 79 CYS HBy H 1 2.94 0.01 1 79 CYS CA C 13 52.0 0.1 1 79 CYS CB C 13 39.3 0.1 1 79 CYS N N 15 122.2 0.1 1 80 PRO HA H 1 4.41 0.01 1 80 PRO HBx H 1 2.02 0.01 1 80 PRO HBy H 1 2.28 0.01 1 80 PRO HDx H 1 3.59 0.01 1 80 PRO HDy H 1 4.00 0.01 1 80 PRO HGx H 1 2.04 0.01 1 80 PRO HGy H 1 2.17 0.01 1 80 PRO CA C 13 63.5 0.1 1 80 PRO CB C 13 32.4 0.1 1 80 PRO CD C 13 51.9 0.1 1 80 PRO CG C 13 27.6 0.1 1 81 TRP H H 1 8.40 0.01 1 81 TRP HA H 1 4.55 0.01 1 81 TRP HBx H 1 3.04 0.01 1 81 TRP HBy H 1 3.27 0.01 1 81 TRP HD1 H 1 7.24 0.01 1 81 TRP HE1 H 1 10.00 0.01 1 81 TRP HE3 H 1 7.60 0.01 1 81 TRP HH2 H 1 7.17 0.01 1 81 TRP HZ2 H 1 7.43 0.01 1 81 TRP HZ3 H 1 7.08 0.01 1 81 TRP CA C 13 56.4 0.1 1 81 TRP CB C 13 29.5 0.1 1 81 TRP N N 15 120.5 0.1 1 81 TRP NE1 N 15 129.1 0.1 1 82 ASN H H 1 8.04 0.01 1 82 ASN HA H 1 4.75 0.01 1 82 ASN HB2 H 1 2.74 0.01 1 82 ASN HB3 H 1 2.74 0.01 1 82 ASN HD2x H 1 6.97 0.01 1 82 ASN HD2y H 1 7.66 0.01 1 82 ASN CA C 13 53.1 0.1 1 82 ASN CB C 13 39.0 0.1 1 82 ASN N N 15 120.4 0.1 1 82 ASN ND2 N 15 113.4 0.1 1 83 HIS H H 1 8.10 0.01 1 83 HIS HA H 1 4.52 0.01 1 83 HIS HBx H 1 3.02 0.01 1 83 HIS HBy H 1 3.18 0.01 1 83 HIS HD2 H 1 7.06 0.01 1 83 HIS HE1 H 1 8.39 0.01 1 83 HIS CA C 13 56.0 0.1 1 83 HIS CB C 13 29.2 0.1 1 83 HIS N N 15 122.2 0.1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 1 1 SER HA 1 2 PRO HDx 1.0 0.0 4.0 2 1 1 1 SER HA 1 2 PRO HDy 1.0 0.0 4.0 3 2 1 1 SER HBy 1 2 PRO HBx 1.0 0.0 6.0 4 2 1 1 SER HBx 1 2 PRO HBx 1.0 0.0 6.0 5 2 1 2 PRO HBy 1 1 SER HBx 1.0 0.0 6.0 6 2 1 1 SER HBy 1 2 PRO HBy 1.0 0.0 6.0 7 3 1 1 SER HBy 1 2 PRO HGx 1.0 0.0 6.0 8 3 1 1 SER HBx 1 2 PRO HGx 1.0 0.0 6.0 9 3 1 2 PRO HGy 1 1 SER HBx 1.0 0.0 6.0 10 3 1 1 SER HBy 1 2 PRO HGy 1.0 0.0 6.0 11 4 1 1 SER HBy 1 2 PRO HDx 1.0 0.0 5.0 12 4 1 1 SER HBx 1 2 PRO HDx 1.0 0.0 5.0 13 4 1 2 PRO HDy 1 1 SER HBx 1.0 0.0 5.0 14 4 1 2 PRO HDy 1 1 SER HBy 1.0 0.0 5.0 15 5 1 2 PRO HA 1 3 PRO HBx 1.0 0.0 6.0 16 5 1 2 PRO HA 1 3 PRO HBy 1.0 0.0 6.0 17 6 1 2 PRO HA 1 3 PRO HDx 1.0 0.0 4.0 18 6 1 2 PRO HA 1 3 PRO HDy 1.0 0.0 4.0 19 7 1 2 PRO HBx 1 3 PRO HDx 1.0 0.0 5.0 20 7 1 2 PRO HBy 1 3 PRO HDx 1.0 0.0 5.0 21 7 1 3 PRO HDy 1 2 PRO HBx 1.0 0.0 5.0 22 7 1 2 PRO HBy 1 3 PRO HDy 1.0 0.0 5.0 23 8 1 2 PRO HBy 1 4 VAL HG1% 1.0 0.0 6.0 24 8 1 2 PRO HBx 1 4 VAL HG1% 1.0 0.0 6.0 25 8 1 4 VAL HG2% 1 2 PRO HBx 1.0 0.0 6.0 26 8 1 2 PRO HBy 1 4 VAL HG2% 1.0 0.0 6.0 27 9 1 2 PRO HDy 1 4 VAL HG1% 1.0 0.0 6.0 28 9 1 2 PRO HDx 1 4 VAL HG1% 1.0 0.0 6.0 29 9 1 4 VAL HG2% 1 2 PRO HDx 1.0 0.0 6.0 30 9 1 2 PRO HDy 1 4 VAL HG2% 1.0 0.0 6.0 31 10 1 3 PRO HA 1 4 VAL H 1.0 0.0 4.0 32 11 1 3 PRO HA 1 4 VAL HB 1.0 0.0 5.0 33 12 1 3 PRO HA 1 4 VAL HG1% 1.0 0.0 5.0 34 12 1 4 VAL HG2% 1 3 PRO HA 1.0 0.0 5.0 35 13 1 4 VAL H 1 3 PRO HBx 1.0 0.0 5.0 36 13 1 3 PRO HBy 1 4 VAL H 1.0 0.0 5.0 37 14 1 3 PRO HBy 1 4 VAL HG1% 1.0 0.0 6.0 38 14 1 3 PRO HBx 1 4 VAL HG1% 1.0 0.0 6.0 39 14 1 4 VAL HG2% 1 3 PRO HBx 1.0 0.0 6.0 40 14 1 3 PRO HBy 1 4 VAL HG2% 1.0 0.0 6.0 41 15 1 4 VAL H 1 3 PRO HG2 1.0 0.0 5.0 42 15 1 4 VAL H 1 3 PRO HG3 1.0 0.0 5.0 43 16 1 3 PRO HDy 1 4 VAL HG1% 1.0 0.0 6.0 44 16 1 3 PRO HDx 1 4 VAL HG1% 1.0 0.0 6.0 45 16 1 4 VAL HG2% 1 3 PRO HDx 1.0 0.0 6.0 46 16 1 3 PRO HDy 1 4 VAL HG2% 1.0 0.0 6.0 47 17 1 3 PRO HA 1 5 CYS H 1.0 0.0 5.0 48 18 1 5 CYS H 1 3 PRO HBx 1.0 0.0 5.0 49 18 1 3 PRO HBy 1 5 CYS H 1.0 0.0 5.0 50 19 1 4 VAL H 1 4 VAL HA 1.0 0.0 5.0 51 20 1 4 VAL H 1 4 VAL HB 1.0 0.0 5.0 52 21 1 4 VAL H 1 4 VAL HG1% 1.0 0.0 5.0 53 21 1 4 VAL HG2% 1 4 VAL H 1.0 0.0 5.0 54 22 1 4 VAL H 1 5 CYS H 1.0 0.0 5.0 55 23 1 5 CYS H 1 4 VAL HA 1.0 0.0 5.0 56 24 1 4 VAL HA 1 5 CYS HBx 1.0 0.0 5.0 57 24 1 4 VAL HA 1 5 CYS HBy 1.0 0.0 5.0 58 25 1 4 VAL HB 1 5 CYS H 1.0 0.0 5.0 59 26 1 5 CYS H 1 4 VAL HG1% 1.0 0.0 5.0 60 26 1 4 VAL HG2% 1 5 CYS H 1.0 0.0 5.0 61 27 1 4 VAL HG1% 1 5 CYS HBx 1.0 0.0 5.0 62 27 1 4 VAL HG2% 1 5 CYS HBx 1.0 0.0 5.0 63 27 1 5 CYS HBy 1 4 VAL HG1% 1.0 0.0 5.0 64 27 1 4 VAL HG2% 1 5 CYS HBy 1.0 0.0 5.0 65 28 1 6 GLY H 1 4 VAL HG1% 1.0 0.0 5.0 66 28 1 4 VAL HG2% 1 6 GLY H 1.0 0.0 5.0 67 29 1 4 VAL H 1 7 ASN HA 1.0 0.0 5.0 68 30 1 7 ASN H 1 4 VAL HG1% 1.0 0.0 5.0 69 30 1 4 VAL HG2% 1 7 ASN H 1.0 0.0 5.0 70 31 1 4 VAL HG1% 1 7 ASN HBx 1.0 0.0 6.0 71 31 1 4 VAL HG2% 1 7 ASN HBx 1.0 0.0 6.0 72 31 1 7 ASN HBy 1 4 VAL HG1% 1.0 0.0 6.0 73 31 1 4 VAL HG2% 1 7 ASN HBy 1.0 0.0 6.0 74 32 1 4 VAL HG1% 1 7 ASN HD2y 1.0 0.0 6.0 75 32 1 4 VAL HG2% 1 7 ASN HD2y 1.0 0.0 6.0 76 32 1 7 ASN HD2x 1 4 VAL HG1% 1.0 0.0 6.0 77 32 1 4 VAL HG2% 1 7 ASN HD2x 1.0 0.0 6.0 78 33 1 8 LYS H 1 4 VAL HG1% 1.0 0.0 6.0 79 33 1 4 VAL HG2% 1 8 LYS H 1.0 0.0 6.0 80 34 1 8 LYS HA 1 4 VAL HG1% 1.0 0.0 6.0 81 34 1 4 VAL HG2% 1 8 LYS HA 1.0 0.0 6.0 82 35 1 4 VAL HG1% 1 18 CYS HBx 1.0 0.0 6.0 83 35 1 4 VAL HG2% 1 18 CYS HBx 1.0 0.0 6.0 84 35 1 18 CYS HBy 1 4 VAL HG1% 1.0 0.0 6.0 85 35 1 4 VAL HG2% 1 18 CYS HBy 1.0 0.0 6.0 86 36 1 4 VAL H 1 19 GLY HAx 1.0 0.0 5.0 87 36 1 4 VAL H 1 19 GLY HAy 1.0 0.0 5.0 88 37 1 4 VAL H 1 20 SER HB2 1.0 0.0 6.0 89 37 1 4 VAL H 1 20 SER HB3 1.0 0.0 6.0 90 38 1 20 SER HA 1 4 VAL HG1% 1.0 0.0 6.0 91 38 1 4 VAL HG2% 1 20 SER HA 1.0 0.0 6.0 92 39 1 4 VAL HG2% 1 20 SER HB2 1.0 0.0 6.0 93 39 1 4 VAL HG1% 1 20 SER HB2 1.0 0.0 6.0 94 39 1 20 SER HB3 1 4 VAL HG1% 1.0 0.0 6.0 95 39 1 4 VAL HG2% 1 20 SER HB3 1.0 0.0 6.0 96 40 1 4 VAL HG2% 1 21 PRO HBx 1.0 0.0 5.0 97 40 1 4 VAL HG1% 1 21 PRO HBx 1.0 0.0 5.0 98 40 1 21 PRO HBy 1 4 VAL HG1% 1.0 0.0 5.0 99 40 1 4 VAL HG2% 1 21 PRO HBy 1.0 0.0 5.0 100 41 1 4 VAL HG2% 1 21 PRO HG2 1.0 0.0 6.0 101 41 1 4 VAL HG1% 1 21 PRO HG2 1.0 0.0 6.0 102 41 1 21 PRO HG3 1 4 VAL HG1% 1.0 0.0 6.0 103 41 1 4 VAL HG2% 1 21 PRO HG3 1.0 0.0 6.0 104 42 1 4 VAL HG1% 1 21 PRO HD2 1.0 0.0 5.0 105 42 1 4 VAL HG2% 1 21 PRO HD2 1.0 0.0 5.0 106 42 1 21 PRO HD3 1 4 VAL HG1% 1.0 0.0 5.0 107 42 1 4 VAL HG2% 1 21 PRO HD3 1.0 0.0 5.0 108 43 1 24 CYS H 1 4 VAL HG1% 1.0 0.0 6.0 109 43 1 4 VAL HG2% 1 24 CYS H 1.0 0.0 6.0 110 44 1 31 ALA HB% 1 4 VAL HG1% 1.0 0.0 6.0 111 44 1 4 VAL HG2% 1 31 ALA HB% 1.0 0.0 6.0 112 45 1 32 ALA HB% 1 4 VAL HG1% 1.0 0.0 6.0 113 45 1 4 VAL HG2% 1 32 ALA HB% 1.0 0.0 6.0 114 46 1 5 CYS H 1 5 CYS HA 1.0 0.0 5.0 115 47 1 5 CYS H 1 5 CYS HBx 1.0 0.0 5.0 116 47 1 5 CYS H 1 5 CYS HBy 1.0 0.0 5.0 117 48 1 5 CYS H 1 6 GLY H 1.0 0.0 5.0 118 49 1 6 GLY H 1 5 CYS HA 1.0 0.0 5.0 119 50 1 6 GLY H 1 5 CYS HBx 1.0 0.0 5.0 120 50 1 5 CYS HBy 1 6 GLY H 1.0 0.0 5.0 121 51 1 7 ASN H 1 5 CYS HBx 1.0 0.0 6.0 122 51 1 5 CYS HBy 1 7 ASN H 1.0 0.0 6.0 123 52 1 5 CYS H 1 19 GLY H 1.0 0.0 6.0 124 53 1 5 CYS HA 1 19 GLY H 1.0 0.0 6.0 125 54 1 6 GLY H 1 6 GLY HAx 1.0 0.0 5.0 126 54 1 6 GLY H 1 6 GLY HAy 1.0 0.0 5.0 127 55 1 6 GLY H 1 7 ASN H 1.0 0.0 4.0 128 56 1 7 ASN H 1 6 GLY HAx 1.0 0.0 5.0 129 56 1 7 ASN H 1 6 GLY HAy 1.0 0.0 5.0 130 57 1 7 ASN HA 1 7 ASN H 1.0 0.0 5.0 131 58 1 7 ASN H 1 7 ASN HBx 1.0 0.0 5.0 132 58 1 7 ASN H 1 7 ASN HBy 1.0 0.0 5.0 133 59 1 7 ASN H 1 7 ASN HD2y 1.0 0.0 5.0 134 59 1 7 ASN H 1 7 ASN HD2x 1.0 0.0 5.0 135 60 1 7 ASN H 1 8 LYS H 1.0 0.0 5.0 136 61 1 7 ASN HA 1 8 LYS H 1.0 0.0 4.0 137 62 1 8 LYS H 1 7 ASN HBx 1.0 0.0 4.0 138 62 1 7 ASN HBy 1 8 LYS H 1.0 0.0 4.0 139 63 1 8 LYS HA 1 7 ASN HBx 1.0 0.0 5.0 140 63 1 7 ASN HBy 1 8 LYS HA 1.0 0.0 5.0 141 64 1 9 ILE HG2% 1 7 ASN HBx 1.0 0.0 5.0 142 64 1 7 ASN HBy 1 9 ILE HG2% 1.0 0.0 5.0 143 65 1 7 ASN HA 1 10 LEU HDx% 1.0 0.0 6.0 144 65 1 7 ASN HA 1 10 LEU HDy% 1.0 0.0 6.0 145 66 1 7 ASN HBx 1 10 LEU HBx 1.0 0.0 5.5 146 66 1 7 ASN HBy 1 10 LEU HBx 1.0 0.0 5.5 147 66 1 10 LEU HBy 1 7 ASN HBx 1.0 0.0 5.5 148 66 1 7 ASN HBy 1 10 LEU HBy 1.0 0.0 5.5 149 67 1 7 ASN HBx 1 10 LEU HDx% 1.0 0.0 6.0 150 67 1 7 ASN HBy 1 10 LEU HDx% 1.0 0.0 6.0 151 67 1 10 LEU HDy% 1 7 ASN HBx 1.0 0.0 6.0 152 67 1 7 ASN HBy 1 10 LEU HDy% 1.0 0.0 6.0 153 68 1 7 ASN HD2y 1 10 LEU HDx% 1.0 0.0 6.0 154 68 1 7 ASN HD2x 1 10 LEU HDx% 1.0 0.0 6.0 155 68 1 10 LEU HDy% 1 7 ASN HD2y 1.0 0.0 6.0 156 68 1 7 ASN HD2x 1 10 LEU HDy% 1.0 0.0 6.0 157 69 1 7 ASN HA 1 21 PRO HG2 1.0 0.0 6.0 158 69 1 7 ASN HA 1 21 PRO HG3 1.0 0.0 6.0 159 70 1 7 ASN HA 1 21 PRO HD2 1.0 0.0 6.0 160 70 1 7 ASN HA 1 21 PRO HD3 1.0 0.0 6.0 161 71 1 8 LYS H 1 8 LYS HA 1.0 0.0 5.0 162 72 1 8 LYS H 1 8 LYS HBx 1.0 0.0 5.0 163 72 1 8 LYS H 1 8 LYS HBy 1.0 0.0 5.0 164 73 1 8 LYS H 1 8 LYS HGx 1.0 0.0 5.0 165 73 1 8 LYS H 1 8 LYS HGy 1.0 0.0 5.0 166 74 1 8 LYS H 1 9 ILE H 1.0 0.0 5.0 167 75 1 8 LYS HA 1 9 ILE H 1.0 0.0 4.0 168 76 1 9 ILE H 1 8 LYS HBx 1.0 0.0 5.0 169 76 1 8 LYS HBy 1 9 ILE H 1.0 0.0 5.0 170 77 1 9 ILE H 1 8 LYS HGx 1.0 0.0 5.0 171 77 1 8 LYS HGy 1 9 ILE H 1.0 0.0 5.0 172 78 1 9 ILE H 1 9 ILE HA 1.0 0.0 5.0 173 79 1 9 ILE H 1 9 ILE HB 1.0 0.0 5.0 174 80 1 9 ILE H 1 9 ILE HG1x 1.0 0.0 5.0 175 80 1 9 ILE H 1 9 ILE HG1y 1.0 0.0 5.0 176 81 1 9 ILE HG2% 1 9 ILE H 1.0 0.0 5.0 177 82 1 9 ILE H 1 9 ILE HD1% 1.0 0.0 5.0 178 83 1 9 ILE H 1 10 LEU H 1.0 0.0 5.0 179 84 1 9 ILE HA 1 10 LEU H 1.0 0.0 3.0 180 85 1 9 ILE HA 1 10 LEU HA 1.0 0.0 5.0 181 86 1 9 ILE HA 1 10 LEU HBx 1.0 0.0 5.0 182 86 1 10 LEU HBy 1 9 ILE HA 1.0 0.0 5.0 183 87 1 9 ILE HA 1 10 LEU HDx% 1.0 0.0 5.0 184 87 1 10 LEU HDy% 1 9 ILE HA 1.0 0.0 5.0 185 88 1 9 ILE HB 1 10 LEU H 1.0 0.0 5.0 186 89 1 9 ILE HB 1 10 LEU HDx% 1.0 0.0 5.0 187 89 1 10 LEU HDy% 1 9 ILE HB 1.0 0.0 5.0 188 90 1 10 LEU H 1 9 ILE HG1x 1.0 0.0 5.0 189 90 1 9 ILE HG1y 1 10 LEU H 1.0 0.0 5.0 190 91 1 10 LEU HA 1 9 ILE HG1x 1.0 0.0 6.0 191 91 1 9 ILE HG1y 1 10 LEU HA 1.0 0.0 6.0 192 92 1 9 ILE HG2% 1 10 LEU H 1.0 0.0 5.0 193 93 1 9 ILE HG2% 1 10 LEU HA 1.0 0.0 6.0 194 94 1 9 ILE HA 1 11 GLU HG2 1.0 0.0 5.0 195 94 1 9 ILE HA 1 11 GLU HG3 1.0 0.0 5.0 196 95 1 9 ILE HG1x 1 11 GLU HG2 1.0 0.0 6.0 197 95 1 9 ILE HG1y 1 11 GLU HG2 1.0 0.0 6.0 198 95 1 11 GLU HG3 1 9 ILE HG1x 1.0 0.0 6.0 199 95 1 9 ILE HG1y 1 11 GLU HG3 1.0 0.0 6.0 200 96 1 9 ILE HG2% 1 11 GLU H 1.0 0.0 5.0 201 97 1 9 ILE HG2% 1 11 GLU HA 1.0 0.0 6.0 202 98 1 9 ILE HG2% 1 11 GLU HBx 1.0 0.0 6.0 203 98 1 9 ILE HG2% 1 11 GLU HBy 1.0 0.0 6.0 204 99 1 9 ILE HG2% 1 11 GLU HG2 1.0 0.0 5.0 205 99 1 9 ILE HG2% 1 11 GLU HG3 1.0 0.0 5.0 206 100 1 9 ILE HD1% 1 11 GLU HG2 1.0 0.0 6.0 207 100 1 9 ILE HD1% 1 11 GLU HG3 1.0 0.0 6.0 208 101 1 9 ILE H 1 12 GLN H 1.0 0.0 6.0 209 102 1 9 ILE HA 1 12 GLN HBx 1.0 0.0 6.0 210 102 1 9 ILE HA 1 12 GLN HBy 1.0 0.0 6.0 211 103 1 9 ILE HA 1 12 GLN HG2 1.0 0.0 5.0 212 103 1 9 ILE HA 1 12 GLN HG3 1.0 0.0 5.0 213 104 1 9 ILE HB 1 12 GLN HA 1.0 0.0 5.0 214 105 1 9 ILE HG1y 1 12 GLN HG2 1.0 0.0 6.0 215 105 1 12 GLN HG3 1 9 ILE HG1x 1.0 0.0 6.0 216 105 1 9 ILE HG1y 1 12 GLN HG3 1.0 0.0 6.0 217 105 1 9 ILE HG1x 1 12 GLN HG2 1.0 0.0 6.0 218 106 1 9 ILE HG2% 1 12 GLN H 1.0 0.0 6.0 219 107 1 9 ILE HG2% 1 12 GLN HBx 1.0 0.0 5.0 220 107 1 9 ILE HG2% 1 12 GLN HBy 1.0 0.0 5.0 221 108 1 9 ILE HG2% 1 12 GLN HG2 1.0 0.0 5.0 222 108 1 9 ILE HG2% 1 12 GLN HG3 1.0 0.0 5.0 223 109 1 9 ILE HG2% 1 12 GLN HE2x 1.0 0.0 6.0 224 109 1 9 ILE HG2% 1 12 GLN HE2y 1.0 0.0 6.0 225 110 1 9 ILE HD1% 1 12 GLN H 1.0 0.0 6.0 226 111 1 9 ILE HB 1 13 GLY HAx 1.0 0.0 5.0 227 111 1 9 ILE HB 1 13 GLY HAy 1.0 0.0 5.0 228 112 1 9 ILE HG2% 1 13 GLY H 1.0 0.0 6.0 229 113 1 15 ASP H 1 9 ILE HG1x 1.0 0.0 5.0 230 113 1 9 ILE HG1y 1 15 ASP H 1.0 0.0 5.0 231 114 1 9 ILE HG1x 1 15 ASP HBx 1.0 0.0 5.0 232 114 1 9 ILE HG1y 1 15 ASP HBx 1.0 0.0 5.0 233 114 1 15 ASP HBy 1 9 ILE HG1x 1.0 0.0 5.0 234 114 1 9 ILE HG1y 1 15 ASP HBy 1.0 0.0 5.0 235 115 1 9 ILE HG2% 1 15 ASP HBx 1.0 0.0 5.0 236 115 1 9 ILE HG2% 1 15 ASP HBy 1.0 0.0 5.0 237 116 1 9 ILE HD1% 1 15 ASP H 1.0 0.0 6.0 238 117 1 9 ILE HD1% 1 15 ASP HBx 1.0 0.0 5.0 239 117 1 9 ILE HD1% 1 15 ASP HBy 1.0 0.0 5.0 240 118 1 9 ILE H 1 21 PRO HD2 1.0 0.0 6.0 241 118 1 21 PRO HD3 1 9 ILE H 1.0 0.0 6.0 242 119 1 9 ILE HG2% 1 44 TYR HE% 1.0 0.0 6.0 243 120 1 10 LEU H 1 10 LEU HA 1.0 0.0 5.0 244 121 1 10 LEU H 1 10 LEU HBx 1.0 0.0 5.0 245 121 1 10 LEU HBy 1 10 LEU H 1.0 0.0 5.0 246 122 1 10 LEU H 1 10 LEU HDx% 1.0 0.0 5.0 247 122 1 10 LEU HDy% 1 10 LEU H 1.0 0.0 5.0 248 123 1 10 LEU H 1 11 GLU H 1.0 0.0 5.0 249 124 1 10 LEU HA 1 11 GLU H 1.0 0.0 3.0 250 125 1 10 LEU HA 1 11 GLU HG2 1.0 0.0 6.0 251 125 1 10 LEU HA 1 11 GLU HG3 1.0 0.0 6.0 252 126 1 11 GLU H 1 10 LEU HBx 1.0 0.0 5.0 253 126 1 10 LEU HBy 1 11 GLU H 1.0 0.0 5.0 254 127 1 10 LEU HBy 1 11 GLU HG2 1.0 0.0 5.0 255 127 1 10 LEU HBx 1 11 GLU HG2 1.0 0.0 5.0 256 127 1 11 GLU HG3 1 10 LEU HBx 1.0 0.0 5.0 257 127 1 10 LEU HBy 1 11 GLU HG3 1.0 0.0 5.0 258 128 1 11 GLU H 1 10 LEU HG 1.0 0.0 5.0 259 129 1 10 LEU HG 1 11 GLU HG2 1.0 0.0 6.0 260 129 1 11 GLU HG3 1 10 LEU HG 1.0 0.0 6.0 261 130 1 11 GLU H 1 10 LEU HDx% 1.0 0.0 5.0 262 130 1 10 LEU HDy% 1 11 GLU H 1.0 0.0 5.0 263 131 1 10 LEU HDx% 1 11 GLU HBx 1.0 0.0 5.0 264 131 1 10 LEU HDy% 1 11 GLU HBx 1.0 0.0 5.0 265 131 1 11 GLU HBy 1 10 LEU HDx% 1.0 0.0 5.0 266 131 1 10 LEU HDy% 1 11 GLU HBy 1.0 0.0 5.0 267 132 1 10 LEU HDx% 1 11 GLU HG2 1.0 0.0 5.0 268 132 1 10 LEU HDy% 1 11 GLU HG2 1.0 0.0 5.0 269 132 1 11 GLU HG3 1 10 LEU HDx% 1.0 0.0 5.0 270 132 1 10 LEU HDy% 1 11 GLU HG3 1.0 0.0 5.0 271 133 1 10 LEU H 1 12 GLN H 1.0 0.0 5.0 272 134 1 12 GLN H 1 10 LEU HDx% 1.0 0.0 6.0 273 134 1 10 LEU HDy% 1 12 GLN H 1.0 0.0 6.0 274 135 1 10 LEU HDx% 1 15 ASP HBx 1.0 0.0 6.0 275 135 1 10 LEU HDy% 1 15 ASP HBx 1.0 0.0 6.0 276 135 1 15 ASP HBy 1 10 LEU HDx% 1.0 0.0 6.0 277 135 1 10 LEU HDy% 1 15 ASP HBy 1.0 0.0 6.0 278 136 1 44 TYR HD% 1 10 LEU HDx% 1.0 0.0 6.0 279 136 1 10 LEU HDy% 1 44 TYR HD% 1.0 0.0 6.0 280 137 1 44 TYR HE% 1 10 LEU HDx% 1.0 0.0 6.0 281 137 1 10 LEU HDy% 1 44 TYR HE% 1.0 0.0 6.0 282 138 1 11 GLU H 1 11 GLU HA 1.0 0.0 5.0 283 139 1 11 GLU H 1 11 GLU HBx 1.0 0.0 5.0 284 139 1 11 GLU H 1 11 GLU HBy 1.0 0.0 5.0 285 140 1 11 GLU H 1 11 GLU HG2 1.0 0.0 5.0 286 140 1 11 GLU HG3 1 11 GLU H 1.0 0.0 5.0 287 141 1 11 GLU H 1 12 GLN H 1.0 0.0 4.0 288 142 1 11 GLU HA 1 12 GLN H 1.0 0.0 3.5 289 143 1 11 GLU HA 1 12 GLN HG2 1.0 0.0 5.0 290 143 1 11 GLU HA 1 12 GLN HG3 1.0 0.0 5.0 291 144 1 12 GLN H 1 11 GLU HBx 1.0 0.0 5.0 292 144 1 11 GLU HBy 1 12 GLN H 1.0 0.0 5.0 293 145 1 12 GLN H 1 11 GLU HG2 1.0 0.0 5.0 294 145 1 11 GLU HG3 1 12 GLN H 1.0 0.0 5.0 295 146 1 11 GLU HA 1 13 GLY H 1.0 0.0 6.0 296 147 1 44 TYR HD% 1 11 GLU HG2 1.0 0.0 6.0 297 147 1 11 GLU HG3 1 44 TYR HD% 1.0 0.0 6.0 298 148 1 44 TYR HE% 1 11 GLU HG2 1.0 0.0 6.0 299 148 1 11 GLU HG3 1 44 TYR HE% 1.0 0.0 6.0 300 149 1 12 GLN H 1 12 GLN HA 1.0 0.0 5.0 301 150 1 12 GLN H 1 12 GLN HBx 1.0 0.0 5.0 302 150 1 12 GLN H 1 12 GLN HBy 1.0 0.0 5.0 303 151 1 12 GLN H 1 12 GLN HG2 1.0 0.0 5.0 304 151 1 12 GLN H 1 12 GLN HG3 1.0 0.0 5.0 305 152 1 12 GLN H 1 13 GLY H 1.0 0.0 4.0 306 153 1 12 GLN HA 1 13 GLY H 1.0 0.0 3.5 307 154 1 13 GLY H 1 12 GLN HBx 1.0 0.0 4.0 308 154 1 12 GLN HBy 1 13 GLY H 1.0 0.0 4.0 309 155 1 13 GLY H 1 12 GLN HG2 1.0 0.0 5.0 310 155 1 12 GLN HG3 1 13 GLY H 1.0 0.0 5.0 311 156 1 12 GLN H 1 14 GLU H 1.0 0.0 5.0 312 157 1 12 GLN H 1 15 ASP HBx 1.0 0.0 5.0 313 157 1 12 GLN H 1 15 ASP HBy 1.0 0.0 5.0 314 158 1 17 ASP H 1 12 GLN HG2 1.0 0.0 5.0 315 158 1 12 GLN HG3 1 17 ASP H 1.0 0.0 5.0 316 159 1 44 TYR HD% 1 12 GLN HG2 1.0 0.0 6.0 317 159 1 12 GLN HG3 1 44 TYR HD% 1.0 0.0 6.0 318 160 1 44 TYR HE% 1 12 GLN HG2 1.0 0.0 6.0 319 160 1 12 GLN HG3 1 44 TYR HE% 1.0 0.0 6.0 320 161 1 13 GLY H 1 13 GLY HAx 1.0 0.0 5.0 321 161 1 13 GLY HAy 1 13 GLY H 1.0 0.0 5.0 322 162 1 13 GLY H 1 14 GLU H 1.0 0.0 4.0 323 163 1 13 GLY H 1 14 GLU HA 1.0 0.0 6.0 324 164 1 14 GLU H 1 13 GLY HAx 1.0 0.0 4.0 325 164 1 13 GLY HAy 1 14 GLU H 1.0 0.0 4.0 326 165 1 13 GLY H 1 14 GLU HG2 1.0 0.0 6.0 327 165 1 13 GLY H 1 14 GLU HG3 1.0 0.0 6.0 328 166 1 13 GLY HAx 1 14 GLU HG2 1.0 0.0 6.0 329 166 1 13 GLY HAy 1 14 GLU HG2 1.0 0.0 6.0 330 166 1 14 GLU HG3 1 13 GLY HAx 1.0 0.0 6.0 331 166 1 13 GLY HAy 1 14 GLU HG3 1.0 0.0 6.0 332 167 1 13 GLY H 1 44 TYR HD% 1.0 0.0 6.0 333 168 1 13 GLY H 1 44 TYR HE% 1.0 0.0 6.0 334 169 1 44 TYR HE% 1 13 GLY HAx 1.0 0.0 6.0 335 169 1 13 GLY HAy 1 44 TYR HE% 1.0 0.0 6.0 336 170 1 14 GLU H 1 14 GLU HA 1.0 0.0 5.0 337 171 1 14 GLU H 1 14 GLU HBx 1.0 0.0 5.0 338 171 1 14 GLU H 1 14 GLU HBy 1.0 0.0 5.0 339 172 1 14 GLU H 1 14 GLU HG2 1.0 0.0 5.0 340 172 1 14 GLU H 1 14 GLU HG3 1.0 0.0 5.0 341 173 1 15 ASP H 1 14 GLU H 1.0 0.0 4.0 342 174 1 15 ASP H 1 14 GLU HA 1.0 0.0 4.0 343 175 1 15 ASP H 1 14 GLU HBx 1.0 0.0 5.0 344 175 1 15 ASP H 1 14 GLU HBy 1.0 0.0 5.0 345 176 1 15 ASP H 1 14 GLU HG2 1.0 0.0 5.0 346 176 1 15 ASP H 1 14 GLU HG3 1.0 0.0 5.0 347 177 1 14 GLU H 1 16 CYS HBx 1.0 0.0 6.0 348 177 1 14 GLU H 1 16 CYS HBy 1.0 0.0 6.0 349 178 1 14 GLU HA 1 35 LYS HBx 1.0 0.0 6.0 350 178 1 14 GLU HA 1 35 LYS HBy 1.0 0.0 6.0 351 179 1 14 GLU HA 1 35 LYS HGx 1.0 0.0 6.0 352 179 1 14 GLU HA 1 35 LYS HGy 1.0 0.0 6.0 353 180 1 14 GLU HG3 1 35 LYS HGx 1.0 0.0 6.0 354 180 1 14 GLU HG2 1 35 LYS HGx 1.0 0.0 6.0 355 180 1 35 LYS HGy 1 14 GLU HG2 1.0 0.0 6.0 356 180 1 14 GLU HG3 1 35 LYS HGy 1.0 0.0 6.0 357 181 1 14 GLU H 1 36 LEU HDx% 1.0 0.0 6.0 358 181 1 14 GLU H 1 36 LEU HDy% 1.0 0.0 6.0 359 182 1 14 GLU HA 1 36 LEU HDx% 1.0 0.0 6.0 360 182 1 14 GLU HA 1 36 LEU HDy% 1.0 0.0 6.0 361 183 1 14 GLU HBx 1 36 LEU HDx% 1.0 0.0 6.0 362 183 1 14 GLU HBy 1 36 LEU HDx% 1.0 0.0 6.0 363 183 1 36 LEU HDy% 1 14 GLU HBx 1.0 0.0 6.0 364 183 1 14 GLU HBy 1 36 LEU HDy% 1.0 0.0 6.0 365 184 1 14 GLU HG2 1 36 LEU HDx% 1.0 0.0 6.0 366 184 1 14 GLU HG3 1 36 LEU HDx% 1.0 0.0 6.0 367 184 1 36 LEU HDy% 1 14 GLU HG2 1.0 0.0 6.0 368 184 1 14 GLU HG3 1 36 LEU HDy% 1.0 0.0 6.0 369 185 1 44 TYR HE% 1 14 GLU H 1.0 0.0 6.0 370 186 1 44 TYR HD% 1 14 GLU HA 1.0 0.0 6.0 371 187 1 44 TYR HE% 1 14 GLU HA 1.0 0.0 6.0 372 188 1 15 ASP H 1 15 ASP HA 1.0 0.0 5.0 373 189 1 15 ASP H 1 15 ASP HBx 1.0 0.0 5.0 374 189 1 15 ASP H 1 15 ASP HBy 1.0 0.0 5.0 375 190 1 15 ASP HA 1 16 CYS H 1.0 0.0 5.0 376 191 1 16 CYS H 1 15 ASP HBx 1.0 0.0 5.0 377 191 1 15 ASP HBy 1 16 CYS H 1.0 0.0 5.0 378 192 1 15 ASP HA 1 35 LYS HA 1.0 0.0 5.0 379 193 1 15 ASP HA 1 35 LYS HGx 1.0 0.0 5.0 380 193 1 35 LYS HGy 1 15 ASP HA 1.0 0.0 5.0 381 194 1 15 ASP HA 1 35 LYS HDx 1.0 0.0 5.0 382 194 1 15 ASP HA 1 35 LYS HDy 1.0 0.0 5.0 383 195 1 15 ASP H 1 36 LEU HBx 1.0 0.0 5.0 384 195 1 15 ASP H 1 36 LEU HBy 1.0 0.0 5.0 385 196 1 15 ASP H 1 36 LEU HDx% 1.0 0.0 6.0 386 196 1 15 ASP H 1 36 LEU HDy% 1.0 0.0 6.0 387 197 1 15 ASP HBy 1 36 LEU HDx% 1.0 0.0 5.0 388 197 1 15 ASP HBx 1 36 LEU HDx% 1.0 0.0 5.0 389 197 1 36 LEU HDy% 1 15 ASP HBx 1.0 0.0 5.0 390 197 1 15 ASP HBy 1 36 LEU HDy% 1.0 0.0 5.0 391 198 1 44 TYR HE% 1 15 ASP HA 1.0 0.0 6.0 392 199 1 15 ASP H 1 44 TYR HD% 1.0 0.0 6.0 393 200 1 44 TYR H 1 15 ASP HBx 1.0 0.0 6.0 394 200 1 15 ASP HBy 1 44 TYR H 1.0 0.0 6.0 395 201 1 44 TYR HD% 1 15 ASP HBx 1.0 0.0 6.0 396 201 1 15 ASP HBy 1 44 TYR HD% 1.0 0.0 6.0 397 202 1 44 TYR HE% 1 15 ASP HBx 1.0 0.0 6.0 398 202 1 15 ASP HBy 1 44 TYR HE% 1.0 0.0 6.0 399 203 1 16 CYS H 1 16 CYS HA 1.0 0.0 5.0 400 204 1 16 CYS H 1 16 CYS HBx 1.0 0.0 5.0 401 204 1 16 CYS HBy 1 16 CYS H 1.0 0.0 5.0 402 205 1 17 ASP H 1 16 CYS H 1.0 0.0 5.0 403 206 1 17 ASP H 1 16 CYS HA 1.0 0.0 3.5 404 207 1 17 ASP H 1 16 CYS HBx 1.0 0.0 5.0 405 207 1 17 ASP H 1 16 CYS HBy 1.0 0.0 5.0 406 208 1 34 CYS HA 1 16 CYS HBx 1.0 0.0 5.0 407 208 1 16 CYS HBy 1 34 CYS HA 1.0 0.0 5.0 408 209 1 16 CYS HBx 1 34 CYS HBx 1.0 0.0 6.0 409 209 1 16 CYS HBy 1 34 CYS HBx 1.0 0.0 6.0 410 209 1 34 CYS HBy 1 16 CYS HBx 1.0 0.0 6.0 411 209 1 16 CYS HBy 1 34 CYS HBy 1.0 0.0 6.0 412 210 1 35 LYS H 1 16 CYS HBx 1.0 0.0 6.0 413 210 1 16 CYS HBy 1 35 LYS H 1.0 0.0 6.0 414 211 1 16 CYS HA 1 36 LEU HDx% 1.0 0.0 6.0 415 211 1 36 LEU HDy% 1 16 CYS HA 1.0 0.0 6.0 416 212 1 36 LEU H 1 16 CYS HBx 1.0 0.0 5.0 417 212 1 16 CYS HBy 1 36 LEU H 1.0 0.0 5.0 418 213 1 16 CYS HBx 1 36 LEU HDx% 1.0 0.0 5.0 419 213 1 16 CYS HBy 1 36 LEU HDx% 1.0 0.0 5.0 420 213 1 36 LEU HDy% 1 16 CYS HBx 1.0 0.0 5.0 421 213 1 16 CYS HBy 1 36 LEU HDy% 1.0 0.0 5.0 422 214 1 17 ASP H 1 17 ASP HA 1.0 0.0 5.0 423 215 1 17 ASP H 1 17 ASP HB2 1.0 0.0 5.0 424 215 1 17 ASP H 1 17 ASP HB3 1.0 0.0 5.0 425 216 1 17 ASP H 1 18 CYS H 1.0 0.0 5.0 426 217 1 17 ASP HA 1 18 CYS H 1.0 0.0 5.0 427 218 1 18 CYS H 1 17 ASP HB2 1.0 0.0 5.0 428 218 1 17 ASP HB3 1 18 CYS H 1.0 0.0 5.0 429 219 1 18 CYS H 1 18 CYS HA 1.0 0.0 5.0 430 220 1 18 CYS H 1 18 CYS HBx 1.0 0.0 5.0 431 220 1 18 CYS HBy 1 18 CYS H 1.0 0.0 5.0 432 221 1 19 GLY H 1 18 CYS H 1.0 0.0 5.0 433 222 1 19 GLY H 1 18 CYS HA 1.0 0.0 5.0 434 223 1 19 GLY H 1 18 CYS HBx 1.0 0.0 5.0 435 223 1 18 CYS HBy 1 19 GLY H 1.0 0.0 5.0 436 224 1 21 PRO HA 1 18 CYS HBx 1.0 0.0 5.0 437 224 1 18 CYS HBy 1 21 PRO HA 1.0 0.0 5.0 438 225 1 18 CYS HBx 1 21 PRO HBx 1.0 0.0 6.0 439 225 1 18 CYS HBy 1 21 PRO HBx 1.0 0.0 6.0 440 225 1 21 PRO HBy 1 18 CYS HBx 1.0 0.0 6.0 441 225 1 18 CYS HBy 1 21 PRO HBy 1.0 0.0 6.0 442 226 1 23 ASN H 1 18 CYS HBx 1.0 0.0 5.0 443 226 1 18 CYS HBy 1 23 ASN H 1.0 0.0 5.0 444 227 1 25 GLN H 1 18 CYS HBx 1.0 0.0 5.0 445 227 1 18 CYS HBy 1 25 GLN H 1.0 0.0 5.0 446 228 1 18 CYS HBy 1 25 GLN HGx 1.0 0.0 6.0 447 228 1 25 GLN HGy 1 18 CYS HBx 1.0 0.0 6.0 448 228 1 18 CYS HBy 1 25 GLN HGy 1.0 0.0 6.0 449 228 1 18 CYS HBx 1 25 GLN HGx 1.0 0.0 6.0 450 229 1 18 CYS HBy 1 29 CYS HBx 1.0 0.0 6.0 451 229 1 18 CYS HBx 1 29 CYS HBx 1.0 0.0 6.0 452 229 1 29 CYS HBy 1 18 CYS HBx 1.0 0.0 6.0 453 229 1 18 CYS HBy 1 29 CYS HBy 1.0 0.0 6.0 454 230 1 31 ALA H 1 18 CYS HBx 1.0 0.0 6.0 455 230 1 18 CYS HBy 1 31 ALA H 1.0 0.0 6.0 456 231 1 31 ALA HA 1 18 CYS HBx 1.0 0.0 6.0 457 231 1 18 CYS HBy 1 31 ALA HA 1.0 0.0 6.0 458 232 1 31 ALA HB% 1 18 CYS HBx 1.0 0.0 5.0 459 232 1 18 CYS HBy 1 31 ALA HB% 1.0 0.0 5.0 460 233 1 32 ALA H 1 18 CYS HBx 1.0 0.0 5.0 461 233 1 18 CYS HBy 1 32 ALA H 1.0 0.0 5.0 462 234 1 19 GLY H 1 19 GLY HAx 1.0 0.0 5.0 463 234 1 19 GLY HAy 1 19 GLY H 1.0 0.0 5.0 464 235 1 19 GLY H 1 20 SER H 1.0 0.0 5.0 465 236 1 20 SER H 1 19 GLY HAx 1.0 0.0 5.0 466 236 1 19 GLY HAy 1 20 SER H 1.0 0.0 5.0 467 237 1 20 SER HA 1 19 GLY HAx 1.0 0.0 5.0 468 237 1 19 GLY HAy 1 20 SER HA 1.0 0.0 5.0 469 238 1 20 SER HA 1 20 SER H 1.0 0.0 5.0 470 239 1 20 SER H 1 20 SER HB2 1.0 0.0 5.0 471 239 1 20 SER HB3 1 20 SER H 1.0 0.0 5.0 472 240 1 20 SER HA 1 21 PRO HBx 1.0 0.0 5.0 473 240 1 20 SER HA 1 21 PRO HBy 1.0 0.0 5.0 474 241 1 20 SER HA 1 21 PRO HG2 1.0 0.0 5.0 475 241 1 20 SER HA 1 21 PRO HG3 1.0 0.0 5.0 476 242 1 20 SER HA 1 21 PRO HD2 1.0 0.0 4.0 477 242 1 20 SER HA 1 21 PRO HD3 1.0 0.0 4.0 478 243 1 20 SER HB3 1 21 PRO HD2 1.0 0.0 5.0 479 243 1 20 SER HB2 1 21 PRO HD2 1.0 0.0 5.0 480 243 1 21 PRO HD3 1 20 SER HB2 1.0 0.0 5.0 481 243 1 20 SER HB3 1 21 PRO HD3 1.0 0.0 5.0 482 244 1 20 SER H 1 23 ASN HB2 1.0 0.0 5.0 483 244 1 20 SER H 1 23 ASN HB3 1.0 0.0 5.0 484 245 1 20 SER HA 1 23 ASN H 1.0 0.0 5.0 485 246 1 23 ASN H 1 20 SER HB2 1.0 0.0 5.0 486 246 1 20 SER HB3 1 23 ASN H 1.0 0.0 5.0 487 247 1 20 SER HA 1 31 ALA HB% 1.0 0.0 5.0 488 248 1 21 PRO HA 1 22 ALA H 1.0 0.0 5.0 489 249 1 22 ALA H 1 21 PRO HBx 1.0 0.0 5.0 490 249 1 21 PRO HBy 1 22 ALA H 1.0 0.0 5.0 491 250 1 22 ALA H 1 21 PRO HG2 1.0 0.0 5.0 492 250 1 21 PRO HG3 1 22 ALA H 1.0 0.0 5.0 493 251 1 22 ALA H 1 21 PRO HD2 1.0 0.0 5.0 494 251 1 21 PRO HD3 1 22 ALA H 1.0 0.0 5.0 495 252 1 22 ALA HA 1 21 PRO HBx 1.0 0.0 4.0 496 252 1 21 PRO HBy 1 22 ALA HA 1.0 0.0 4.0 497 253 1 22 ALA HB% 1 21 PRO HBx 1.0 0.0 5.0 498 253 1 21 PRO HBy 1 22 ALA HB% 1.0 0.0 5.0 499 254 1 22 ALA HB% 1 21 PRO HD2 1.0 0.0 5.0 500 254 1 21 PRO HD3 1 22 ALA HB% 1.0 0.0 5.0 501 255 1 23 ASN H 1 21 PRO HBx 1.0 0.0 6.0 502 255 1 21 PRO HBy 1 23 ASN H 1.0 0.0 6.0 503 256 1 23 ASN H 1 21 PRO HD2 1.0 0.0 5.0 504 256 1 21 PRO HD3 1 23 ASN H 1.0 0.0 5.0 505 257 1 21 PRO HD2 1 23 ASN HB2 1.0 0.0 6.0 506 257 1 21 PRO HD3 1 23 ASN HB2 1.0 0.0 6.0 507 257 1 23 ASN HB3 1 21 PRO HD2 1.0 0.0 6.0 508 257 1 21 PRO HD3 1 23 ASN HB3 1.0 0.0 6.0 509 258 1 31 ALA HB% 1 21 PRO HA 1.0 0.0 5.0 510 259 1 31 ALA HB% 1 21 PRO HBx 1.0 0.0 5.0 511 259 1 21 PRO HBy 1 31 ALA HB% 1.0 0.0 5.0 512 260 1 31 ALA HB% 1 21 PRO HD2 1.0 0.0 5.0 513 260 1 21 PRO HD3 1 31 ALA HB% 1.0 0.0 5.0 514 261 1 22 ALA H 1 22 ALA HA 1.0 0.0 5.0 515 262 1 22 ALA H 1 22 ALA HB% 1.0 0.0 5.0 516 263 1 23 ASN H 1 22 ALA H 1.0 0.0 5.0 517 264 1 23 ASN H 1 22 ALA HA 1.0 0.0 4.0 518 265 1 23 ASN H 1 22 ALA HB% 1.0 0.0 4.0 519 266 1 22 ALA HA 1 23 ASN HA 1.0 0.0 6.0 520 267 1 22 ALA HB% 1 23 ASN HB2 1.0 0.0 5.0 521 267 1 23 ASN HB3 1 22 ALA HB% 1.0 0.0 5.0 522 268 1 22 ALA HB% 1 23 ASN HD2y 1.0 0.0 5.0 523 268 1 22 ALA HB% 1 23 ASN HD2x 1.0 0.0 5.0 524 269 1 23 ASN H 1 23 ASN HA 1.0 0.0 5.0 525 270 1 23 ASN H 1 23 ASN HB2 1.0 0.0 5.0 526 270 1 23 ASN H 1 23 ASN HB3 1.0 0.0 5.0 527 271 1 23 ASN H 1 23 ASN HD2y 1.0 0.0 5.0 528 271 1 23 ASN H 1 23 ASN HD2x 1.0 0.0 5.0 529 272 1 24 CYS H 1 23 ASN H 1.0 0.0 5.0 530 273 1 24 CYS H 1 23 ASN HA 1.0 0.0 5.0 531 274 1 24 CYS H 1 23 ASN HB2 1.0 0.0 5.0 532 274 1 24 CYS H 1 23 ASN HB3 1.0 0.0 5.0 533 275 1 23 ASN HD2x 1 27 ARG HGx 1.0 0.0 6.0 534 275 1 23 ASN HD2y 1 27 ARG HGx 1.0 0.0 6.0 535 275 1 27 ARG HGy 1 23 ASN HD2y 1.0 0.0 6.0 536 275 1 23 ASN HD2x 1 27 ARG HGy 1.0 0.0 6.0 537 276 1 24 CYS H 1 24 CYS HA 1.0 0.0 5.0 538 277 1 24 CYS H 1 24 CYS HBx 1.0 0.0 5.0 539 277 1 24 CYS H 1 24 CYS HBy 1.0 0.0 5.0 540 278 1 24 CYS H 1 25 GLN H 1.0 0.0 5.0 541 279 1 25 GLN H 1 24 CYS HA 1.0 0.0 4.0 542 280 1 25 GLN H 1 24 CYS HBx 1.0 0.0 5.0 543 280 1 25 GLN H 1 24 CYS HBy 1.0 0.0 5.0 544 281 1 25 GLN H 1 25 GLN HA 1.0 0.0 5.0 545 282 1 25 GLN H 1 25 GLN HBx 1.0 0.0 5.0 546 282 1 25 GLN H 1 25 GLN HBy 1.0 0.0 5.0 547 283 1 25 GLN H 1 25 GLN HGx 1.0 0.0 5.0 548 283 1 25 GLN H 1 25 GLN HGy 1.0 0.0 5.0 549 284 1 25 GLN H 1 26 ASP H 1.0 0.0 5.0 550 285 1 25 GLN HA 1 26 ASP H 1.0 0.0 5.0 551 286 1 26 ASP H 1 25 GLN HBx 1.0 0.0 5.0 552 286 1 25 GLN HBy 1 26 ASP H 1.0 0.0 5.0 553 287 1 26 ASP H 1 25 GLN HGx 1.0 0.0 5.0 554 287 1 25 GLN HGy 1 26 ASP H 1.0 0.0 5.0 555 288 1 26 ASP H 1 26 ASP HA 1.0 0.0 5.0 556 289 1 26 ASP H 1 26 ASP HBx 1.0 0.0 5.0 557 289 1 26 ASP H 1 26 ASP HBy 1.0 0.0 5.0 558 290 1 26 ASP H 1 27 ARG H 1.0 0.0 5.0 559 291 1 26 ASP HA 1 27 ARG H 1.0 0.0 5.0 560 292 1 27 ARG H 1 26 ASP HBx 1.0 0.0 5.0 561 292 1 26 ASP HBy 1 27 ARG H 1.0 0.0 5.0 562 293 1 27 ARG H 1 27 ARG HA 1.0 0.0 5.0 563 294 1 27 ARG H 1 27 ARG HBx 1.0 0.0 5.0 564 294 1 27 ARG H 1 27 ARG HBy 1.0 0.0 5.0 565 295 1 27 ARG H 1 27 ARG HGx 1.0 0.0 5.0 566 295 1 27 ARG HGy 1 27 ARG H 1.0 0.0 5.0 567 296 1 27 ARG H 1 27 ARG HD2 1.0 0.0 5.0 568 296 1 27 ARG HD3 1 27 ARG H 1.0 0.0 5.0 569 297 1 27 ARG H 1 28 CYS H 1.0 0.0 5.0 570 298 1 27 ARG HA 1 28 CYS H 1.0 0.0 5.0 571 299 1 28 CYS H 1 27 ARG HBx 1.0 0.0 5.0 572 299 1 27 ARG HBy 1 28 CYS H 1.0 0.0 5.0 573 300 1 28 CYS H 1 27 ARG HGx 1.0 0.0 5.0 574 300 1 27 ARG HGy 1 28 CYS H 1.0 0.0 5.0 575 301 1 27 ARG HA 1 29 CYS H 1.0 0.0 5.0 576 302 1 50 GLN HA 1 27 ARG HGx 1.0 0.0 6.0 577 302 1 27 ARG HGy 1 50 GLN HA 1.0 0.0 6.0 578 303 1 28 CYS H 1 28 CYS HA 1.0 0.0 5.0 579 304 1 28 CYS H 1 28 CYS HB2 1.0 0.0 5.0 580 304 1 28 CYS H 1 28 CYS HB3 1.0 0.0 5.0 581 305 1 28 CYS H 1 29 CYS H 1.0 0.0 5.0 582 306 1 29 CYS H 1 28 CYS HA 1.0 0.0 4.0 583 307 1 29 CYS H 1 28 CYS HB2 1.0 0.0 5.0 584 307 1 29 CYS H 1 28 CYS HB3 1.0 0.0 5.0 585 308 1 28 CYS HB2 1 36 LEU HDx% 1.0 0.0 6.0 586 308 1 28 CYS HB3 1 36 LEU HDx% 1.0 0.0 6.0 587 308 1 36 LEU HDy% 1 28 CYS HB2 1.0 0.0 6.0 588 308 1 36 LEU HDy% 1 28 CYS HB3 1.0 0.0 6.0 589 309 1 28 CYS H 1 37 THR HG2% 1.0 0.0 6.0 590 310 1 28 CYS HA 1 37 THR HG2% 1.0 0.0 5.0 591 311 1 51 CYS HA 1 28 CYS HB2 1.0 0.0 5.0 592 311 1 28 CYS HB3 1 51 CYS HA 1.0 0.0 5.0 593 312 1 28 CYS HB2 1 51 CYS HBx 1.0 0.0 5.0 594 312 1 51 CYS HBy 1 28 CYS HB2 1.0 0.0 5.0 595 312 1 28 CYS HB3 1 51 CYS HBy 1.0 0.0 5.0 596 312 1 28 CYS HB3 1 51 CYS HBx 1.0 0.0 5.0 597 313 1 29 CYS H 1 29 CYS HA 1.0 0.0 5.0 598 314 1 29 CYS H 1 29 CYS HBx 1.0 0.0 5.0 599 314 1 29 CYS HBy 1 29 CYS H 1.0 0.0 5.0 600 315 1 29 CYS HA 1 30 ASN H 1.0 0.0 4.0 601 316 1 29 CYS HA 1 30 ASN HBx 1.0 0.0 5.0 602 316 1 29 CYS HA 1 30 ASN HBy 1.0 0.0 5.0 603 317 1 29 CYS HA 1 30 ASN HD2y 1.0 0.0 5.0 604 317 1 29 CYS HA 1 30 ASN HD2x 1.0 0.0 5.0 605 318 1 30 ASN H 1 29 CYS HBx 1.0 0.0 5.0 606 318 1 29 CYS HBy 1 30 ASN H 1.0 0.0 5.0 607 319 1 31 ALA H 1 29 CYS HBx 1.0 0.0 6.0 608 319 1 29 CYS HBy 1 31 ALA H 1.0 0.0 6.0 609 320 1 31 ALA HB% 1 29 CYS HBx 1.0 0.0 6.0 610 320 1 31 ALA HB% 1 29 CYS HBy 1.0 0.0 6.0 611 321 1 29 CYS HA 1 36 LEU HDx% 1.0 0.0 5.0 612 321 1 36 LEU HDy% 1 29 CYS HA 1.0 0.0 5.0 613 322 1 29 CYS HBx 1 36 LEU HDx% 1.0 0.0 6.0 614 322 1 29 CYS HBy 1 36 LEU HDx% 1.0 0.0 6.0 615 322 1 36 LEU HDy% 1 29 CYS HBx 1.0 0.0 6.0 616 322 1 36 LEU HDy% 1 29 CYS HBy 1.0 0.0 6.0 617 323 1 29 CYS HA 1 37 THR H 1.0 0.0 5.0 618 324 1 37 THR HG2% 1 29 CYS HA 1.0 0.0 4.0 619 325 1 29 CYS H 1 37 THR HG2% 1.0 0.0 6.0 620 326 1 37 THR HG2% 1 29 CYS HBx 1.0 0.0 5.0 621 326 1 29 CYS HBy 1 37 THR HG2% 1.0 0.0 5.0 622 327 1 30 ASN H 1 30 ASN HA 1.0 0.0 5.0 623 328 1 30 ASN H 1 30 ASN HBx 1.0 0.0 5.0 624 328 1 30 ASN H 1 30 ASN HBy 1.0 0.0 5.0 625 329 1 30 ASN H 1 30 ASN HD2y 1.0 0.0 5.0 626 329 1 30 ASN H 1 30 ASN HD2x 1.0 0.0 5.0 627 330 1 31 ALA H 1 30 ASN H 1.0 0.0 5.0 628 331 1 31 ALA HB% 1 30 ASN H 1.0 0.0 6.0 629 332 1 31 ALA H 1 30 ASN HA 1.0 0.0 4.0 630 333 1 31 ALA HB% 1 30 ASN HA 1.0 0.0 5.0 631 334 1 31 ALA H 1 30 ASN HBx 1.0 0.0 5.0 632 334 1 31 ALA H 1 30 ASN HBy 1.0 0.0 5.0 633 335 1 31 ALA H 1 30 ASN HD2y 1.0 0.0 6.0 634 335 1 31 ALA H 1 30 ASN HD2x 1.0 0.0 6.0 635 336 1 32 ALA H 1 30 ASN HA 1.0 0.0 3.0 636 337 1 32 ALA HB% 1 30 ASN HA 1.0 0.0 6.0 637 338 1 32 ALA HB% 1 30 ASN HBx 1.0 0.0 6.0 638 338 1 32 ALA HB% 1 30 ASN HBy 1.0 0.0 6.0 639 339 1 32 ALA H 1 30 ASN HD2y 1.0 0.0 6.0 640 339 1 32 ALA H 1 30 ASN HD2x 1.0 0.0 6.0 641 340 1 32 ALA HB% 1 30 ASN HD2y 1.0 0.0 4.0 642 340 1 32 ALA HB% 1 30 ASN HD2x 1.0 0.0 4.0 643 341 1 30 ASN H 1 33 THR H 1.0 0.0 5.0 644 342 1 33 THR H 1 30 ASN HBx 1.0 0.0 6.0 645 342 1 30 ASN HBy 1 33 THR H 1.0 0.0 6.0 646 343 1 33 THR HG2% 1 30 ASN HBx 1.0 0.0 5.0 647 343 1 30 ASN HBy 1 33 THR HG2% 1.0 0.0 5.0 648 344 1 33 THR HG2% 1 30 ASN HD2y 1.0 0.0 4.0 649 344 1 30 ASN HD2x 1 33 THR HG2% 1.0 0.0 4.0 650 345 1 35 LYS H 1 30 ASN H 1.0 0.0 5.0 651 346 1 35 LYS H 1 30 ASN HBx 1.0 0.0 4.0 652 346 1 35 LYS H 1 30 ASN HBy 1.0 0.0 4.0 653 347 1 35 LYS H 1 30 ASN HD2y 1.0 0.0 5.0 654 347 1 35 LYS H 1 30 ASN HD2x 1.0 0.0 5.0 655 348 1 30 ASN H 1 36 LEU HA 1.0 0.0 5.0 656 349 1 30 ASN HBx 1 36 LEU HDx% 1.0 0.0 6.0 657 349 1 30 ASN HBy 1 36 LEU HDx% 1.0 0.0 6.0 658 349 1 36 LEU HDy% 1 30 ASN HBx 1.0 0.0 6.0 659 349 1 36 LEU HDy% 1 30 ASN HBy 1.0 0.0 6.0 660 350 1 30 ASN H 1 37 THR H 1.0 0.0 6.0 661 351 1 37 THR HA 1 30 ASN HBx 1.0 0.0 5.0 662 351 1 30 ASN HBy 1 37 THR HA 1.0 0.0 5.0 663 352 1 37 THR HG2% 1 30 ASN H 1.0 0.0 5.0 664 353 1 37 THR HG2% 1 30 ASN HA 1.0 0.0 5.0 665 354 1 37 THR HG2% 1 30 ASN HBx 1.0 0.0 4.0 666 354 1 37 THR HG2% 1 30 ASN HBy 1.0 0.0 4.0 667 355 1 37 THR HA 1 30 ASN HD2y 1.0 0.0 5.0 668 355 1 30 ASN HD2x 1 37 THR HA 1.0 0.0 5.0 669 356 1 37 THR HG2% 1 30 ASN HD2y 1.0 0.0 5.0 670 356 1 37 THR HG2% 1 30 ASN HD2x 1.0 0.0 5.0 671 357 1 31 ALA H 1 31 ALA HA 1.0 0.0 5.0 672 358 1 31 ALA HB% 1 31 ALA H 1.0 0.0 5.0 673 359 1 31 ALA H 1 32 ALA H 1.0 0.0 4.0 674 360 1 32 ALA HB% 1 31 ALA H 1.0 0.0 5.0 675 361 1 31 ALA HA 1 32 ALA H 1.0 0.0 4.0 676 362 1 31 ALA HB% 1 32 ALA H 1.0 0.0 4.0 677 363 1 31 ALA HB% 1 32 ALA HA 1.0 0.0 5.0 678 364 1 31 ALA H 1 33 THR H 1.0 0.0 5.0 679 365 1 31 ALA HA 1 33 THR H 1.0 0.0 5.0 680 366 1 31 ALA H 1 33 THR HG2% 1.0 0.0 6.0 681 367 1 31 ALA HB% 1 33 THR H 1.0 0.0 6.0 682 368 1 31 ALA H 1 34 CYS H 1.0 0.0 6.0 683 369 1 31 ALA HA 1 34 CYS H 1.0 0.0 6.0 684 370 1 31 ALA HB% 1 34 CYS H 1.0 0.0 6.0 685 371 1 31 ALA H 1 37 THR HG2% 1.0 0.0 5.0 686 372 1 32 ALA H 1 32 ALA HA 1.0 0.0 5.0 687 373 1 32 ALA HB% 1 32 ALA H 1.0 0.0 5.0 688 374 1 32 ALA H 1 33 THR H 1.0 0.0 4.0 689 375 1 32 ALA H 1 33 THR HG2% 1.0 0.0 5.0 690 376 1 33 THR H 1 32 ALA HA 1.0 0.0 4.0 691 377 1 32 ALA HB% 1 33 THR H 1.0 0.0 4.0 692 378 1 32 ALA HB% 1 33 THR HA 1.0 0.0 5.0 693 379 1 32 ALA HB% 1 33 THR HG2% 1.0 0.0 4.0 694 380 1 32 ALA H 1 34 CYS H 1.0 0.0 5.0 695 381 1 32 ALA HB% 1 34 CYS H 1.0 0.0 6.0 696 382 1 35 LYS H 1 32 ALA H 1.0 0.0 6.0 697 383 1 33 THR H 1 33 THR HA 1.0 0.0 5.0 698 384 1 33 THR H 1 33 THR HB 1.0 0.0 5.0 699 385 1 33 THR H 1 33 THR HG2% 1.0 0.0 5.0 700 386 1 33 THR H 1 34 CYS H 1.0 0.0 4.0 701 387 1 34 CYS HA 1 33 THR H 1.0 0.0 5.0 702 388 1 34 CYS H 1 33 THR HA 1.0 0.0 5.0 703 389 1 34 CYS H 1 33 THR HB 1.0 0.0 6.0 704 390 1 33 THR HG2% 1 34 CYS H 1.0 0.0 5.0 705 391 1 33 THR HG2% 1 34 CYS HBx 1.0 0.0 6.0 706 391 1 34 CYS HBy 1 33 THR HG2% 1.0 0.0 6.0 707 392 1 35 LYS H 1 33 THR HA 1.0 0.0 5.0 708 393 1 35 LYS H 1 33 THR HB 1.0 0.0 4.0 709 394 1 33 THR HB 1 35 LYS HBx 1.0 0.0 5.0 710 394 1 35 LYS HBy 1 33 THR HB 1.0 0.0 5.0 711 395 1 35 LYS H 1 33 THR HG2% 1.0 0.0 5.0 712 396 1 33 THR HG2% 1 35 LYS HZ% 1.0 0.0 6.0 713 397 1 34 CYS HA 1 34 CYS H 1.0 0.0 5.0 714 398 1 34 CYS H 1 34 CYS HBx 1.0 0.0 5.0 715 398 1 34 CYS HBy 1 34 CYS H 1.0 0.0 5.0 716 399 1 35 LYS H 1 34 CYS H 1.0 0.0 5.0 717 400 1 34 CYS HA 1 35 LYS H 1.0 0.0 4.0 718 401 1 35 LYS H 1 34 CYS HBx 1.0 0.0 5.0 719 401 1 34 CYS HBy 1 35 LYS H 1.0 0.0 5.0 720 402 1 35 LYS HA 1 35 LYS H 1.0 0.0 5.0 721 403 1 35 LYS H 1 35 LYS HBx 1.0 0.0 5.0 722 403 1 35 LYS HBy 1 35 LYS H 1.0 0.0 5.0 723 404 1 35 LYS H 1 35 LYS HGx 1.0 0.0 5.0 724 404 1 35 LYS HGy 1 35 LYS H 1.0 0.0 5.0 725 405 1 35 LYS H 1 35 LYS HDx 1.0 0.0 5.0 726 405 1 35 LYS HDy 1 35 LYS H 1.0 0.0 5.0 727 406 1 35 LYS H 1 35 LYS HE2 1.0 0.0 6.0 728 406 1 35 LYS H 1 35 LYS HE3 1.0 0.0 6.0 729 407 1 35 LYS H 1 36 LEU H 1.0 0.0 5.0 730 408 1 35 LYS H 1 36 LEU HDx% 1.0 0.0 6.0 731 408 1 36 LEU HDy% 1 35 LYS H 1.0 0.0 6.0 732 409 1 35 LYS HA 1 36 LEU H 1.0 0.0 4.0 733 410 1 35 LYS HA 1 36 LEU HDx% 1.0 0.0 6.0 734 410 1 36 LEU HDy% 1 35 LYS HA 1.0 0.0 6.0 735 411 1 36 LEU H 1 35 LYS HBx 1.0 0.0 4.0 736 411 1 35 LYS HBy 1 36 LEU H 1.0 0.0 4.0 737 412 1 35 LYS HBy 1 36 LEU HDx% 1.0 0.0 6.0 738 412 1 35 LYS HBx 1 36 LEU HDx% 1.0 0.0 6.0 739 412 1 36 LEU HDy% 1 35 LYS HBx 1.0 0.0 6.0 740 412 1 35 LYS HBy 1 36 LEU HDy% 1.0 0.0 6.0 741 413 1 36 LEU H 1 35 LYS HGx 1.0 0.0 5.0 742 413 1 35 LYS HGy 1 36 LEU H 1.0 0.0 5.0 743 414 1 36 LEU H 1 35 LYS HDx 1.0 0.0 5.0 744 414 1 35 LYS HDy 1 36 LEU H 1.0 0.0 5.0 745 415 1 36 LEU H 1 35 LYS HE2 1.0 0.0 5.0 746 415 1 36 LEU H 1 35 LYS HE3 1.0 0.0 5.0 747 416 1 35 LYS H 1 37 THR HG2% 1.0 0.0 6.0 748 417 1 36 LEU H 1 36 LEU HA 1.0 0.0 5.0 749 418 1 36 LEU H 1 36 LEU HBx 1.0 0.0 5.0 750 418 1 36 LEU HBy 1 36 LEU H 1.0 0.0 5.0 751 419 1 36 LEU H 1 36 LEU HG 1.0 0.0 5.0 752 420 1 36 LEU H 1 36 LEU HDx% 1.0 0.0 5.0 753 420 1 36 LEU HDy% 1 36 LEU H 1.0 0.0 5.0 754 421 1 36 LEU H 1 37 THR H 1.0 0.0 5.0 755 422 1 37 THR H 1 36 LEU HA 1.0 0.0 4.0 756 423 1 37 THR H 1 36 LEU HBx 1.0 0.0 5.0 757 423 1 36 LEU HBy 1 37 THR H 1.0 0.0 5.0 758 424 1 37 THR H 1 36 LEU HG 1.0 0.0 6.0 759 425 1 37 THR H 1 36 LEU HDx% 1.0 0.0 5.0 760 425 1 36 LEU HDy% 1 37 THR H 1.0 0.0 5.0 761 426 1 37 THR HG2% 1 36 LEU HDx% 1.0 0.0 5.0 762 426 1 36 LEU HDy% 1 37 THR HG2% 1.0 0.0 5.0 763 427 1 36 LEU HBx 1 40 SER HBx 1.0 0.0 5.0 764 427 1 36 LEU HBy 1 40 SER HBx 1.0 0.0 5.0 765 427 1 40 SER HBy 1 36 LEU HBx 1.0 0.0 5.0 766 427 1 36 LEU HBy 1 40 SER HBy 1.0 0.0 5.0 767 428 1 36 LEU HG 1 40 SER HBx 1.0 0.0 6.0 768 428 1 36 LEU HG 1 40 SER HBy 1.0 0.0 6.0 769 429 1 40 SER H 1 36 LEU HDx% 1.0 0.0 5.0 770 429 1 36 LEU HDy% 1 40 SER H 1.0 0.0 5.0 771 430 1 36 LEU HDx% 1 40 SER HBx 1.0 0.0 5.0 772 430 1 36 LEU HDy% 1 40 SER HBx 1.0 0.0 5.0 773 430 1 40 SER HBy 1 36 LEU HDx% 1.0 0.0 5.0 774 430 1 36 LEU HDy% 1 40 SER HBy 1.0 0.0 5.0 775 431 1 41 GLN H 1 36 LEU HDx% 1.0 0.0 6.0 776 431 1 36 LEU HDy% 1 41 GLN H 1.0 0.0 6.0 777 432 1 41 GLN HA 1 36 LEU HDx% 1.0 0.0 4.0 778 432 1 36 LEU HDy% 1 41 GLN HA 1.0 0.0 4.0 779 433 1 42 CYS H 1 36 LEU HDx% 1.0 0.0 5.0 780 433 1 36 LEU HDy% 1 42 CYS H 1.0 0.0 5.0 781 434 1 42 CYS HA 1 36 LEU HDx% 1.0 0.0 5.0 782 434 1 36 LEU HDy% 1 42 CYS HA 1.0 0.0 5.0 783 435 1 36 LEU HDx% 1 42 CYS HBx 1.0 0.0 5.0 784 435 1 36 LEU HDy% 1 42 CYS HBx 1.0 0.0 5.0 785 435 1 42 CYS HBy 1 36 LEU HDx% 1.0 0.0 5.0 786 435 1 36 LEU HDy% 1 42 CYS HBy 1.0 0.0 5.0 787 436 1 43 ASN H 1 36 LEU HDx% 1.0 0.0 5.0 788 436 1 36 LEU HDy% 1 43 ASN H 1.0 0.0 5.0 789 437 1 43 ASN HA 1 36 LEU HDx% 1.0 0.0 5.0 790 437 1 36 LEU HDy% 1 43 ASN HA 1.0 0.0 5.0 791 438 1 36 LEU HDy% 1 43 ASN HB2 1.0 0.0 5.0 792 438 1 36 LEU HDx% 1 43 ASN HB2 1.0 0.0 5.0 793 438 1 43 ASN HB3 1 36 LEU HDx% 1.0 0.0 5.0 794 438 1 36 LEU HDy% 1 43 ASN HB3 1.0 0.0 5.0 795 439 1 44 TYR H 1 36 LEU HDx% 1.0 0.0 5.0 796 439 1 36 LEU HDy% 1 44 TYR H 1.0 0.0 5.0 797 440 1 36 LEU HDy% 1 48 CYS HBx 1.0 0.0 6.0 798 440 1 36 LEU HDx% 1 48 CYS HBx 1.0 0.0 6.0 799 440 1 48 CYS HBy 1 36 LEU HDx% 1.0 0.0 6.0 800 440 1 36 LEU HDy% 1 48 CYS HBy 1.0 0.0 6.0 801 441 1 36 LEU HDx% 1 51 CYS HBx 1.0 0.0 6.0 802 441 1 36 LEU HDy% 1 51 CYS HBx 1.0 0.0 6.0 803 441 1 51 CYS HBy 1 36 LEU HDx% 1.0 0.0 6.0 804 441 1 36 LEU HDy% 1 51 CYS HBy 1.0 0.0 6.0 805 442 1 53 PHE HD% 1 36 LEU HDx% 1.0 0.0 6.0 806 442 1 36 LEU HDy% 1 53 PHE HD% 1.0 0.0 6.0 807 443 1 53 PHE HE% 1 36 LEU HDx% 1.0 0.0 6.0 808 443 1 36 LEU HDy% 1 53 PHE HE% 1.0 0.0 6.0 809 444 1 37 THR H 1 37 THR HA 1.0 0.0 5.0 810 445 1 37 THR H 1 37 THR HB 1.0 0.0 5.0 811 446 1 37 THR HG2% 1 37 THR H 1.0 0.0 5.0 812 447 1 37 THR HA 1 38 PRO HGx 1.0 0.0 6.0 813 447 1 37 THR HA 1 38 PRO HGy 1.0 0.0 6.0 814 448 1 37 THR HA 1 38 PRO HDx 1.0 0.0 4.0 815 448 1 37 THR HA 1 38 PRO HDy 1.0 0.0 4.0 816 449 1 37 THR HB 1 38 PRO HBx 1.0 0.0 6.0 817 449 1 37 THR HB 1 38 PRO HBy 1.0 0.0 6.0 818 450 1 37 THR HB 1 38 PRO HGx 1.0 0.0 6.0 819 450 1 37 THR HB 1 38 PRO HGy 1.0 0.0 6.0 820 451 1 37 THR HB 1 38 PRO HDx 1.0 0.0 5.0 821 451 1 37 THR HB 1 38 PRO HDy 1.0 0.0 5.0 822 452 1 37 THR HG2% 1 38 PRO HBx 1.0 0.0 5.0 823 452 1 37 THR HG2% 1 38 PRO HBy 1.0 0.0 5.0 824 453 1 37 THR HG2% 1 38 PRO HGx 1.0 0.0 5.0 825 453 1 37 THR HG2% 1 38 PRO HGy 1.0 0.0 5.0 826 454 1 37 THR HG2% 1 38 PRO HDx 1.0 0.0 4.0 827 454 1 37 THR HG2% 1 38 PRO HDy 1.0 0.0 4.0 828 455 1 37 THR HG2% 1 40 SER HBx 1.0 0.0 5.0 829 455 1 37 THR HG2% 1 40 SER HBy 1.0 0.0 5.0 830 456 1 38 PRO HA 1 39 GLY H 1.0 0.0 2.2 831 457 1 38 PRO HA 1 39 GLY HAx 1.0 0.0 5.0 832 457 1 38 PRO HA 1 39 GLY HAy 1.0 0.0 5.0 833 458 1 39 GLY H 1 38 PRO HBx 1.0 0.0 4.0 834 458 1 38 PRO HBy 1 39 GLY H 1.0 0.0 4.0 835 459 1 38 PRO HBx 1 39 GLY HAx 1.0 0.0 5.0 836 459 1 38 PRO HBy 1 39 GLY HAx 1.0 0.0 5.0 837 459 1 39 GLY HAy 1 38 PRO HBx 1.0 0.0 5.0 838 459 1 38 PRO HBy 1 39 GLY HAy 1.0 0.0 5.0 839 460 1 39 GLY H 1 38 PRO HGx 1.0 0.0 5.0 840 460 1 38 PRO HGy 1 39 GLY H 1.0 0.0 5.0 841 461 1 39 GLY H 1 38 PRO HDx 1.0 0.0 6.0 842 461 1 38 PRO HDy 1 39 GLY H 1.0 0.0 6.0 843 462 1 39 GLY H 1 39 GLY HAx 1.0 0.0 5.0 844 462 1 39 GLY H 1 39 GLY HAy 1.0 0.0 5.0 845 463 1 40 SER H 1 39 GLY H 1.0 0.0 4.0 846 464 1 39 GLY H 1 40 SER HA 1.0 0.0 6.0 847 465 1 40 SER H 1 39 GLY HAx 1.0 0.0 5.0 848 465 1 40 SER H 1 39 GLY HAy 1.0 0.0 5.0 849 466 1 52 ARG HE 1 39 GLY HAx 1.0 0.0 6.0 850 466 1 39 GLY HAy 1 52 ARG HE 1.0 0.0 6.0 851 467 1 40 SER H 1 40 SER HA 1.0 0.0 5.0 852 468 1 40 SER H 1 40 SER HBx 1.0 0.0 5.0 853 468 1 40 SER HBy 1 40 SER H 1.0 0.0 5.0 854 469 1 40 SER H 1 41 GLN H 1.0 0.0 6.0 855 470 1 41 GLN H 1 40 SER HA 1.0 0.0 4.0 856 471 1 40 SER HA 1 41 GLN HBx 1.0 0.0 6.0 857 471 1 40 SER HA 1 41 GLN HBy 1.0 0.0 6.0 858 472 1 40 SER HA 1 41 GLN HG2 1.0 0.0 5.0 859 472 1 40 SER HA 1 41 GLN HG3 1.0 0.0 5.0 860 473 1 41 GLN H 1 40 SER HBx 1.0 0.0 5.0 861 473 1 40 SER HBy 1 41 GLN H 1.0 0.0 5.0 862 474 1 42 CYS H 1 40 SER HBx 1.0 0.0 5.0 863 474 1 40 SER HBy 1 42 CYS H 1.0 0.0 5.0 864 475 1 42 CYS H 1 40 SER HA 1.0 0.0 5.0 865 476 1 40 SER HA 1 51 CYS HBx 1.0 0.0 5.0 866 476 1 51 CYS HBy 1 40 SER HA 1.0 0.0 5.0 867 477 1 40 SER HBx 1 51 CYS HBx 1.0 0.0 5.0 868 477 1 40 SER HBy 1 51 CYS HBx 1.0 0.0 5.0 869 477 1 51 CYS HBy 1 40 SER HBx 1.0 0.0 5.0 870 477 1 51 CYS HBy 1 40 SER HBy 1.0 0.0 5.0 871 478 1 40 SER HA 1 52 ARG HGx 1.0 0.0 6.0 872 478 1 40 SER HA 1 52 ARG HGy 1.0 0.0 6.0 873 479 1 40 SER HA 1 52 ARG HDx 1.0 0.0 6.0 874 479 1 40 SER HA 1 52 ARG HDy 1.0 0.0 6.0 875 480 1 40 SER HA 1 52 ARG HE 1.0 0.0 6.0 876 481 1 41 GLN H 1 41 GLN HA 1.0 0.0 5.0 877 482 1 41 GLN H 1 41 GLN HBx 1.0 0.0 5.0 878 482 1 41 GLN H 1 41 GLN HBy 1.0 0.0 5.0 879 483 1 41 GLN H 1 41 GLN HG2 1.0 0.0 5.0 880 483 1 41 GLN H 1 41 GLN HG3 1.0 0.0 5.0 881 484 1 41 GLN H 1 41 GLN HE2x 1.0 0.0 5.0 882 484 1 41 GLN H 1 41 GLN HE2y 1.0 0.0 5.0 883 485 1 41 GLN H 1 42 CYS H 1.0 0.0 4.0 884 486 1 41 GLN HA 1 42 CYS H 1.0 0.0 5.0 885 487 1 42 CYS H 1 41 GLN HBx 1.0 0.0 5.0 886 487 1 42 CYS H 1 41 GLN HBy 1.0 0.0 5.0 887 488 1 42 CYS H 1 41 GLN HG2 1.0 0.0 5.0 888 488 1 42 CYS H 1 41 GLN HG3 1.0 0.0 5.0 889 489 1 41 GLN HBx 1 47 CYS HBx 1.0 0.0 6.0 890 489 1 41 GLN HBy 1 47 CYS HBx 1.0 0.0 6.0 891 489 1 47 CYS HBy 1 41 GLN HBx 1.0 0.0 6.0 892 489 1 41 GLN HBy 1 47 CYS HBy 1.0 0.0 6.0 893 490 1 41 GLN H 1 51 CYS HBx 1.0 0.0 6.0 894 490 1 51 CYS HBy 1 41 GLN H 1.0 0.0 6.0 895 491 1 51 CYS H 1 41 GLN HBx 1.0 0.0 6.0 896 491 1 41 GLN HBy 1 51 CYS H 1.0 0.0 6.0 897 492 1 41 GLN H 1 52 ARG HA 1.0 0.0 5.0 898 493 1 41 GLN H 1 52 ARG HGx 1.0 0.0 6.0 899 493 1 41 GLN H 1 52 ARG HGy 1.0 0.0 6.0 900 494 1 41 GLN H 1 52 ARG HDx 1.0 0.0 5.0 901 494 1 41 GLN H 1 52 ARG HDy 1.0 0.0 5.0 902 495 1 41 GLN HA 1 52 ARG HDx 1.0 0.0 6.0 903 495 1 41 GLN HA 1 52 ARG HDy 1.0 0.0 6.0 904 496 1 52 ARG H 1 41 GLN HBx 1.0 0.0 6.0 905 496 1 41 GLN HBy 1 52 ARG H 1.0 0.0 6.0 906 497 1 52 ARG HA 1 41 GLN HBx 1.0 0.0 4.5 907 497 1 41 GLN HBy 1 52 ARG HA 1.0 0.0 4.5 908 498 1 41 GLN HBy 1 52 ARG HBx 1.0 0.0 6.0 909 498 1 41 GLN HBx 1 52 ARG HBx 1.0 0.0 6.0 910 498 1 52 ARG HBy 1 41 GLN HBx 1.0 0.0 6.0 911 498 1 41 GLN HBy 1 52 ARG HBy 1.0 0.0 6.0 912 499 1 41 GLN HBy 1 52 ARG HGx 1.0 0.0 6.0 913 499 1 41 GLN HBx 1 52 ARG HGx 1.0 0.0 6.0 914 499 1 52 ARG HGy 1 41 GLN HBx 1.0 0.0 6.0 915 499 1 41 GLN HBy 1 52 ARG HGy 1.0 0.0 6.0 916 500 1 41 GLN HBy 1 52 ARG HDx 1.0 0.0 6.0 917 500 1 41 GLN HBx 1 52 ARG HDx 1.0 0.0 6.0 918 500 1 52 ARG HDy 1 41 GLN HBx 1.0 0.0 6.0 919 500 1 41 GLN HBy 1 52 ARG HDy 1.0 0.0 6.0 920 501 1 52 ARG HA 1 41 GLN HG2 1.0 0.0 5.0 921 501 1 41 GLN HG3 1 52 ARG HA 1.0 0.0 5.0 922 502 1 41 GLN HG2 1 52 ARG HBx 1.0 0.0 5.0 923 502 1 41 GLN HG3 1 52 ARG HBx 1.0 0.0 5.0 924 502 1 52 ARG HBy 1 41 GLN HG2 1.0 0.0 5.0 925 502 1 41 GLN HG3 1 52 ARG HBy 1.0 0.0 5.0 926 503 1 41 GLN HG3 1 52 ARG HGx 1.0 0.0 6.0 927 503 1 41 GLN HG2 1 52 ARG HGx 1.0 0.0 6.0 928 503 1 52 ARG HGy 1 41 GLN HG2 1.0 0.0 6.0 929 503 1 41 GLN HG3 1 52 ARG HGy 1.0 0.0 6.0 930 504 1 41 GLN HG3 1 52 ARG HDx 1.0 0.0 5.0 931 504 1 52 ARG HDy 1 41 GLN HG2 1.0 0.0 5.0 932 504 1 41 GLN HG3 1 52 ARG HDy 1.0 0.0 5.0 933 504 1 41 GLN HG2 1 52 ARG HDx 1.0 0.0 5.0 934 505 1 52 ARG HE 1 41 GLN HG2 1.0 0.0 6.0 935 505 1 52 ARG HE 1 41 GLN HG3 1.0 0.0 6.0 936 506 1 52 ARG HA 1 41 GLN HE2x 1.0 0.0 6.0 937 506 1 41 GLN HE2y 1 52 ARG HA 1.0 0.0 6.0 938 507 1 41 GLN HE2y 1 52 ARG HBx 1.0 0.0 6.0 939 507 1 41 GLN HE2x 1 52 ARG HBx 1.0 0.0 6.0 940 507 1 52 ARG HBy 1 41 GLN HE2x 1.0 0.0 6.0 941 507 1 41 GLN HE2y 1 52 ARG HBy 1.0 0.0 6.0 942 508 1 41 GLN HE2x 1 52 ARG HDx 1.0 0.0 6.0 943 508 1 52 ARG HDy 1 41 GLN HE2x 1.0 0.0 6.0 944 508 1 52 ARG HDy 1 41 GLN HE2y 1.0 0.0 6.0 945 508 1 41 GLN HE2y 1 52 ARG HDx 1.0 0.0 6.0 946 509 1 41 GLN H 1 53 PHE H 1.0 0.0 5.0 947 510 1 41 GLN HA 1 53 PHE H 1.0 0.0 6.0 948 511 1 41 GLN HA 1 53 PHE HBx 1.0 0.0 6.0 949 511 1 41 GLN HA 1 53 PHE HBy 1.0 0.0 6.0 950 512 1 41 GLN HA 1 53 PHE HD% 1.0 0.0 6.0 951 513 1 41 GLN HA 1 53 PHE HE% 1.0 0.0 6.0 952 514 1 53 PHE H 1 41 GLN HBx 1.0 0.0 4.0 953 514 1 41 GLN HBy 1 53 PHE H 1.0 0.0 4.0 954 515 1 41 GLN HBy 1 53 PHE HBx 1.0 0.0 6.0 955 515 1 41 GLN HBx 1 53 PHE HBx 1.0 0.0 6.0 956 515 1 53 PHE HBy 1 41 GLN HBx 1.0 0.0 6.0 957 515 1 41 GLN HBy 1 53 PHE HBy 1.0 0.0 6.0 958 516 1 53 PHE HD% 1 41 GLN HBx 1.0 0.0 5.0 959 516 1 53 PHE HD% 1 41 GLN HBy 1.0 0.0 5.0 960 517 1 53 PHE HE% 1 41 GLN HBx 1.0 0.0 4.5 961 517 1 53 PHE HE% 1 41 GLN HBy 1.0 0.0 4.5 962 518 1 53 PHE H 1 41 GLN HG2 1.0 0.0 5.0 963 518 1 41 GLN HG3 1 53 PHE H 1.0 0.0 5.0 964 519 1 53 PHE HD% 1 41 GLN HG2 1.0 0.0 5.5 965 519 1 53 PHE HD% 1 41 GLN HG3 1.0 0.0 5.5 966 520 1 53 PHE HE% 1 41 GLN HG2 1.0 0.0 5.0 967 520 1 53 PHE HE% 1 41 GLN HG3 1.0 0.0 5.0 968 521 1 53 PHE H 1 41 GLN HE2x 1.0 0.0 6.0 969 521 1 41 GLN HE2y 1 53 PHE H 1.0 0.0 6.0 970 522 1 53 PHE HA 1 41 GLN HE2x 1.0 0.0 6.0 971 522 1 41 GLN HE2y 1 53 PHE HA 1.0 0.0 6.0 972 523 1 41 GLN HE2x 1 53 PHE HBx 1.0 0.0 6.0 973 523 1 41 GLN HE2y 1 53 PHE HBx 1.0 0.0 6.0 974 523 1 53 PHE HBy 1 41 GLN HE2x 1.0 0.0 6.0 975 523 1 41 GLN HE2y 1 53 PHE HBy 1.0 0.0 6.0 976 524 1 53 PHE HD% 1 41 GLN HE2x 1.0 0.0 5.0 977 524 1 53 PHE HD% 1 41 GLN HE2y 1.0 0.0 5.0 978 525 1 53 PHE HE% 1 41 GLN HE2x 1.0 0.0 6.0 979 525 1 53 PHE HE% 1 41 GLN HE2y 1.0 0.0 6.0 980 526 1 42 CYS H 1 42 CYS HA 1.0 0.0 5.0 981 527 1 42 CYS H 1 42 CYS HBx 1.0 0.0 5.0 982 527 1 42 CYS H 1 42 CYS HBy 1.0 0.0 5.0 983 528 1 42 CYS H 1 43 ASN H 1.0 0.0 5.0 984 529 1 42 CYS HA 1 43 ASN H 1.0 0.0 4.0 985 530 1 43 ASN H 1 42 CYS HBx 1.0 0.0 5.0 986 530 1 42 CYS HBy 1 43 ASN H 1.0 0.0 5.0 987 531 1 44 TYR H 1 42 CYS HA 1.0 0.0 4.0 988 532 1 42 CYS HA 1 48 CYS HBx 1.0 0.0 6.0 989 532 1 42 CYS HA 1 48 CYS HBy 1.0 0.0 6.0 990 533 1 42 CYS HBy 1 48 CYS HBx 1.0 0.0 6.0 991 533 1 42 CYS HBx 1 48 CYS HBx 1.0 0.0 6.0 992 533 1 48 CYS HBy 1 42 CYS HBx 1.0 0.0 6.0 993 533 1 42 CYS HBy 1 48 CYS HBy 1.0 0.0 6.0 994 534 1 42 CYS H 1 51 CYS H 1.0 0.0 6.0 995 535 1 42 CYS H 1 51 CYS HBx 1.0 0.0 6.0 996 535 1 51 CYS HBy 1 42 CYS H 1.0 0.0 6.0 997 536 1 42 CYS H 1 52 ARG H 1.0 0.0 5.0 998 537 1 42 CYS H 1 52 ARG HA 1.0 0.0 5.0 999 538 1 42 CYS H 1 53 PHE H 1.0 0.0 6.0 1000 539 1 42 CYS HA 1 53 PHE HD% 1.0 0.0 6.0 1001 540 1 42 CYS HA 1 53 PHE HE% 1.0 0.0 6.0 1002 541 1 53 PHE HD% 1 42 CYS HBx 1.0 0.0 6.0 1003 541 1 42 CYS HBy 1 53 PHE HD% 1.0 0.0 6.0 1004 542 1 53 PHE HE% 1 42 CYS HBx 1.0 0.0 5.0 1005 542 1 42 CYS HBy 1 53 PHE HE% 1.0 0.0 5.0 1006 543 1 77 SER H 1 42 CYS HBx 1.0 0.0 6.0 1007 543 1 42 CYS HBy 1 77 SER H 1.0 0.0 6.0 1008 544 1 77 SER HA 1 42 CYS HBx 1.0 0.0 5.0 1009 544 1 42 CYS HBy 1 77 SER HA 1.0 0.0 5.0 1010 545 1 43 ASN H 1 43 ASN HA 1.0 0.0 5.0 1011 546 1 43 ASN H 1 43 ASN HB2 1.0 0.0 5.0 1012 546 1 43 ASN H 1 43 ASN HB3 1.0 0.0 5.0 1013 547 1 44 TYR H 1 43 ASN H 1.0 0.0 3.0 1014 548 1 43 ASN H 1 44 TYR HBx 1.0 0.0 6.0 1015 548 1 43 ASN H 1 44 TYR HBy 1.0 0.0 6.0 1016 549 1 44 TYR HD% 1 43 ASN H 1.0 0.0 6.0 1017 550 1 44 TYR H 1 43 ASN HA 1.0 0.0 4.0 1018 551 1 44 TYR HD% 1 43 ASN HA 1.0 0.0 6.0 1019 552 1 44 TYR H 1 43 ASN HB2 1.0 0.0 5.0 1020 552 1 44 TYR H 1 43 ASN HB3 1.0 0.0 5.0 1021 553 1 44 TYR HD% 1 43 ASN HB2 1.0 0.0 6.0 1022 553 1 44 TYR HD% 1 43 ASN HB3 1.0 0.0 6.0 1023 554 1 43 ASN H 1 53 PHE HD% 1.0 0.0 6.0 1024 555 1 43 ASN H 1 53 PHE HE% 1.0 0.0 6.0 1025 556 1 44 TYR H 1 44 TYR HA 1.0 0.0 5.0 1026 557 1 44 TYR H 1 44 TYR HBx 1.0 0.0 5.0 1027 557 1 44 TYR H 1 44 TYR HBy 1.0 0.0 5.0 1028 558 1 44 TYR HD% 1 44 TYR H 1.0 0.0 5.0 1029 559 1 44 TYR HE% 1 44 TYR H 1.0 0.0 6.0 1030 560 1 44 TYR H 1 45 GLY H 1.0 0.0 5.0 1031 561 1 44 TYR HA 1 45 GLY H 1.0 0.0 5.0 1032 562 1 45 GLY H 1 44 TYR HBx 1.0 0.0 4.0 1033 562 1 44 TYR HBy 1 45 GLY H 1.0 0.0 4.0 1034 563 1 44 TYR HD% 1 45 GLY H 1.0 0.0 5.0 1035 564 1 44 TYR HD% 1 45 GLY HAx 1.0 0.0 5.0 1036 564 1 44 TYR HD% 1 45 GLY HAy 1.0 0.0 5.0 1037 565 1 44 TYR HE% 1 45 GLY H 1.0 0.0 5.0 1038 566 1 44 TYR HE% 1 45 GLY HAx 1.0 0.0 6.0 1039 566 1 44 TYR HE% 1 45 GLY HAy 1.0 0.0 6.0 1040 567 1 44 TYR HD% 1 46 GLU H 1.0 0.0 5.0 1041 568 1 44 TYR HE% 1 46 GLU H 1.0 0.0 6.0 1042 569 1 44 TYR H 1 48 CYS HBx 1.0 0.0 5.0 1043 569 1 44 TYR H 1 48 CYS HBy 1.0 0.0 5.0 1044 570 1 44 TYR H 1 77 SER HBx 1.0 0.0 5.0 1045 570 1 44 TYR H 1 77 SER HBy 1.0 0.0 5.0 1046 571 1 45 GLY H 1 45 GLY HAx 1.0 0.0 5.0 1047 571 1 45 GLY H 1 45 GLY HAy 1.0 0.0 5.0 1048 572 1 45 GLY H 1 46 GLU H 1.0 0.0 5.0 1049 573 1 46 GLU H 1 45 GLY HAx 1.0 0.0 4.0 1050 573 1 45 GLY HAy 1 46 GLU H 1.0 0.0 4.0 1051 574 1 45 GLY HAx 1 46 GLU HG2 1.0 0.0 5.0 1052 574 1 45 GLY HAy 1 46 GLU HG2 1.0 0.0 5.0 1053 574 1 46 GLU HG3 1 45 GLY HAx 1.0 0.0 5.0 1054 574 1 45 GLY HAy 1 46 GLU HG3 1.0 0.0 5.0 1055 575 1 45 GLY H 1 47 CYS HA 1.0 0.0 6.0 1056 576 1 47 CYS H 1 45 GLY HAx 1.0 0.0 5.0 1057 576 1 45 GLY HAy 1 47 CYS H 1.0 0.0 5.0 1058 577 1 48 CYS H 1 45 GLY HAx 1.0 0.0 6.0 1059 577 1 45 GLY HAy 1 48 CYS H 1.0 0.0 6.0 1060 578 1 45 GLY HAx 1 48 CYS HBx 1.0 0.0 6.0 1061 578 1 45 GLY HAy 1 48 CYS HBx 1.0 0.0 6.0 1062 578 1 48 CYS HBy 1 45 GLY HAx 1.0 0.0 6.0 1063 578 1 48 CYS HBy 1 45 GLY HAy 1.0 0.0 6.0 1064 579 1 45 GLY HAx 1 77 SER HBx 1.0 0.0 6.0 1065 579 1 45 GLY HAy 1 77 SER HBx 1.0 0.0 6.0 1066 579 1 77 SER HBy 1 45 GLY HAx 1.0 0.0 6.0 1067 579 1 45 GLY HAy 1 77 SER HBy 1.0 0.0 6.0 1068 580 1 46 GLU H 1 46 GLU HA 1.0 0.0 5.0 1069 581 1 46 GLU H 1 46 GLU HBx 1.0 0.0 5.0 1070 581 1 46 GLU H 1 46 GLU HBy 1.0 0.0 5.0 1071 582 1 46 GLU H 1 46 GLU HG2 1.0 0.0 5.0 1072 582 1 46 GLU H 1 46 GLU HG3 1.0 0.0 5.0 1073 583 1 46 GLU H 1 47 CYS H 1.0 0.0 4.0 1074 584 1 47 CYS H 1 46 GLU HA 1.0 0.0 4.0 1075 585 1 47 CYS H 1 46 GLU HBx 1.0 0.0 4.0 1076 585 1 47 CYS H 1 46 GLU HBy 1.0 0.0 4.0 1077 586 1 47 CYS H 1 46 GLU HG2 1.0 0.0 5.0 1078 586 1 46 GLU HG3 1 47 CYS H 1.0 0.0 5.0 1079 587 1 46 GLU H 1 48 CYS H 1.0 0.0 5.0 1080 588 1 48 CYS H 1 46 GLU HA 1.0 0.0 5.0 1081 589 1 48 CYS H 1 46 GLU HBx 1.0 0.0 6.0 1082 589 1 48 CYS H 1 46 GLU HBy 1.0 0.0 6.0 1083 590 1 48 CYS H 1 46 GLU HG2 1.0 0.0 6.0 1084 590 1 46 GLU HG3 1 48 CYS H 1.0 0.0 6.0 1085 591 1 46 GLU H 1 60 CYS HBx 1.0 0.0 6.0 1086 591 1 46 GLU H 1 60 CYS HBy 1.0 0.0 6.0 1087 592 1 46 GLU HA 1 60 CYS HBx 1.0 0.0 6.0 1088 592 1 46 GLU HA 1 60 CYS HBy 1.0 0.0 6.0 1089 593 1 60 CYS HA 1 46 GLU HBx 1.0 0.0 5.0 1090 593 1 46 GLU HBy 1 60 CYS HA 1.0 0.0 5.0 1091 594 1 46 GLU HBx 1 60 CYS HBx 1.0 0.0 4.0 1092 594 1 46 GLU HBy 1 60 CYS HBx 1.0 0.0 4.0 1093 594 1 60 CYS HBy 1 46 GLU HBx 1.0 0.0 4.0 1094 594 1 46 GLU HBy 1 60 CYS HBy 1.0 0.0 4.0 1095 595 1 60 CYS HA 1 46 GLU HG2 1.0 0.0 5.0 1096 595 1 46 GLU HG3 1 60 CYS HA 1.0 0.0 5.0 1097 596 1 46 GLU HG3 1 60 CYS HBx 1.0 0.0 5.0 1098 596 1 46 GLU HG2 1 60 CYS HBx 1.0 0.0 5.0 1099 596 1 60 CYS HBy 1 46 GLU HG2 1.0 0.0 5.0 1100 596 1 46 GLU HG3 1 60 CYS HBy 1.0 0.0 5.0 1101 597 1 77 SER HA 1 46 GLU HBx 1.0 0.0 5.0 1102 597 1 77 SER HA 1 46 GLU HBy 1.0 0.0 5.0 1103 598 1 46 GLU H 1 78 ASP HA 1.0 0.0 4.0 1104 599 1 78 ASP HA 1 46 GLU HBx 1.0 0.0 5.0 1105 599 1 46 GLU HBy 1 78 ASP HA 1.0 0.0 5.0 1106 600 1 46 GLU H 1 79 CYS H 1.0 0.0 5.0 1107 601 1 46 GLU H 1 79 CYS HBx 1.0 0.0 5.0 1108 601 1 46 GLU H 1 79 CYS HBy 1.0 0.0 5.0 1109 602 1 46 GLU HA 1 79 CYS H 1.0 0.0 6.0 1110 603 1 79 CYS H 1 46 GLU HBx 1.0 0.0 5.0 1111 603 1 46 GLU HBy 1 79 CYS H 1.0 0.0 5.0 1112 604 1 79 CYS HA 1 46 GLU HBx 1.0 0.0 6.0 1113 604 1 46 GLU HBy 1 79 CYS HA 1.0 0.0 6.0 1114 605 1 46 GLU HBy 1 79 CYS HBx 1.0 0.0 5.0 1115 605 1 46 GLU HBx 1 79 CYS HBx 1.0 0.0 5.0 1116 605 1 79 CYS HBy 1 46 GLU HBx 1.0 0.0 5.0 1117 605 1 46 GLU HBy 1 79 CYS HBy 1.0 0.0 5.0 1118 606 1 79 CYS H 1 46 GLU HG2 1.0 0.0 6.0 1119 606 1 46 GLU HG3 1 79 CYS H 1.0 0.0 6.0 1120 607 1 79 CYS HA 1 46 GLU HG2 1.0 0.0 6.0 1121 607 1 46 GLU HG3 1 79 CYS HA 1.0 0.0 6.0 1122 608 1 46 GLU HG3 1 79 CYS HBx 1.0 0.0 6.0 1123 608 1 46 GLU HG2 1 79 CYS HBx 1.0 0.0 6.0 1124 608 1 79 CYS HBy 1 46 GLU HG2 1.0 0.0 6.0 1125 608 1 46 GLU HG3 1 79 CYS HBy 1.0 0.0 6.0 1126 609 1 47 CYS HA 1 47 CYS H 1.0 0.0 5.0 1127 610 1 47 CYS H 1 47 CYS HBx 1.0 0.0 5.0 1128 610 1 47 CYS HBy 1 47 CYS H 1.0 0.0 5.0 1129 611 1 47 CYS H 1 48 CYS H 1.0 0.0 4.0 1130 612 1 47 CYS H 1 48 CYS HA 1.0 0.0 6.0 1131 613 1 47 CYS H 1 48 CYS HBx 1.0 0.0 6.0 1132 613 1 48 CYS HBy 1 47 CYS H 1.0 0.0 6.0 1133 614 1 47 CYS HA 1 48 CYS H 1.0 0.0 4.0 1134 615 1 48 CYS H 1 47 CYS HBx 1.0 0.0 5.0 1135 615 1 47 CYS HBy 1 48 CYS H 1.0 0.0 5.0 1136 616 1 48 CYS HA 1 47 CYS HBx 1.0 0.0 6.0 1137 616 1 47 CYS HBy 1 48 CYS HA 1.0 0.0 6.0 1138 617 1 53 PHE HD% 1 47 CYS HBx 1.0 0.0 6.0 1139 617 1 53 PHE HD% 1 47 CYS HBy 1.0 0.0 6.0 1140 618 1 47 CYS HA 1 54 LYS HB2 1.0 0.0 5.0 1141 618 1 47 CYS HA 1 54 LYS HB3 1.0 0.0 5.0 1142 619 1 47 CYS HA 1 54 LYS HGx 1.0 0.0 5.0 1143 619 1 47 CYS HA 1 54 LYS HGy 1.0 0.0 5.0 1144 620 1 47 CYS HA 1 54 LYS HDx 1.0 0.0 5.0 1145 620 1 47 CYS HA 1 54 LYS HDy 1.0 0.0 5.0 1146 621 1 54 LYS H 1 47 CYS HBx 1.0 0.0 5.0 1147 621 1 47 CYS HBy 1 54 LYS H 1.0 0.0 5.0 1148 622 1 47 CYS HBy 1 54 LYS HB2 1.0 0.0 6.0 1149 622 1 47 CYS HBx 1 54 LYS HB2 1.0 0.0 6.0 1150 622 1 54 LYS HB3 1 47 CYS HBx 1.0 0.0 6.0 1151 622 1 47 CYS HBy 1 54 LYS HB3 1.0 0.0 6.0 1152 623 1 47 CYS HBx 1 54 LYS HGx 1.0 0.0 6.0 1153 623 1 47 CYS HBy 1 54 LYS HGx 1.0 0.0 6.0 1154 623 1 54 LYS HGy 1 47 CYS HBx 1.0 0.0 6.0 1155 623 1 47 CYS HBy 1 54 LYS HGy 1.0 0.0 6.0 1156 624 1 47 CYS HBy 1 54 LYS HEx 1.0 0.0 6.0 1157 624 1 47 CYS HBx 1 54 LYS HEx 1.0 0.0 6.0 1158 624 1 54 LYS HEy 1 47 CYS HBx 1.0 0.0 6.0 1159 624 1 47 CYS HBy 1 54 LYS HEy 1.0 0.0 6.0 1160 625 1 47 CYS HA 1 58 THR HB 1.0 0.0 5.0 1161 626 1 47 CYS HA 1 58 THR HG2% 1.0 0.0 6.0 1162 627 1 47 CYS HA 1 72 CYS HBx 1.0 0.0 6.0 1163 627 1 47 CYS HA 1 72 CYS HBy 1.0 0.0 6.0 1164 628 1 72 CYS H 1 47 CYS HBx 1.0 0.0 6.0 1165 628 1 47 CYS HBy 1 72 CYS H 1.0 0.0 6.0 1166 629 1 47 CYS HBy 1 72 CYS HBx 1.0 0.0 5.0 1167 629 1 72 CYS HBy 1 47 CYS HBx 1.0 0.0 5.0 1168 629 1 47 CYS HBy 1 72 CYS HBy 1.0 0.0 5.0 1169 629 1 47 CYS HBx 1 72 CYS HBx 1.0 0.0 5.0 1170 630 1 47 CYS HA 1 73 THR H 1.0 0.0 6.0 1171 631 1 73 THR H 1 47 CYS HBx 1.0 0.0 6.0 1172 631 1 47 CYS HBy 1 73 THR H 1.0 0.0 6.0 1173 632 1 76 SER H 1 47 CYS HBx 1.0 0.0 6.0 1174 632 1 47 CYS HBy 1 76 SER H 1.0 0.0 6.0 1175 633 1 77 SER HA 1 47 CYS H 1.0 0.0 5.0 1176 634 1 77 SER H 1 47 CYS HBx 1.0 0.0 6.0 1177 634 1 47 CYS HBy 1 77 SER H 1.0 0.0 6.0 1178 635 1 77 SER HA 1 47 CYS HBx 1.0 0.0 4.0 1179 635 1 47 CYS HBy 1 77 SER HA 1.0 0.0 4.0 1180 636 1 47 CYS HBx 1 77 SER HBx 1.0 0.0 6.0 1181 636 1 47 CYS HBy 1 77 SER HBx 1.0 0.0 6.0 1182 636 1 77 SER HBy 1 47 CYS HBx 1.0 0.0 6.0 1183 636 1 47 CYS HBy 1 77 SER HBy 1.0 0.0 6.0 1184 637 1 47 CYS H 1 78 ASP HA 1.0 0.0 4.0 1185 638 1 47 CYS H 1 78 ASP HBx 1.0 0.0 6.0 1186 638 1 47 CYS H 1 78 ASP HBy 1.0 0.0 6.0 1187 639 1 78 ASP H 1 47 CYS HBx 1.0 0.0 6.0 1188 639 1 47 CYS HBy 1 78 ASP H 1.0 0.0 6.0 1189 640 1 78 ASP HA 1 47 CYS HBx 1.0 0.0 6.0 1190 640 1 47 CYS HBy 1 78 ASP HA 1.0 0.0 6.0 1191 641 1 47 CYS H 1 79 CYS H 1.0 0.0 6.0 1192 642 1 47 CYS H 1 79 CYS HBx 1.0 0.0 6.0 1193 642 1 47 CYS H 1 79 CYS HBy 1.0 0.0 6.0 1194 643 1 79 CYS HA 1 47 CYS HBx 1.0 0.0 6.0 1195 643 1 47 CYS HBy 1 79 CYS HA 1.0 0.0 6.0 1196 644 1 48 CYS H 1 48 CYS HA 1.0 0.0 5.0 1197 645 1 48 CYS H 1 48 CYS HBx 1.0 0.0 5.0 1198 645 1 48 CYS HBy 1 48 CYS H 1.0 0.0 5.0 1199 646 1 48 CYS H 1 49 ASP H 1.0 0.0 5.0 1200 647 1 48 CYS HA 1 49 ASP H 1.0 0.0 4.0 1201 648 1 48 CYS HA 1 49 ASP HBx 1.0 0.0 5.0 1202 648 1 48 CYS HA 1 49 ASP HBy 1.0 0.0 5.0 1203 649 1 49 ASP H 1 48 CYS HBx 1.0 0.0 6.0 1204 649 1 48 CYS HBy 1 49 ASP H 1.0 0.0 6.0 1205 650 1 48 CYS H 1 50 GLN H 1.0 0.0 6.0 1206 651 1 52 ARG H 1 48 CYS HA 1.0 0.0 5.0 1207 652 1 53 PHE HA 1 48 CYS H 1.0 0.0 6.0 1208 653 1 53 PHE HD% 1 48 CYS H 1.0 0.0 6.0 1209 654 1 53 PHE H 1 48 CYS HA 1.0 0.0 6.0 1210 655 1 53 PHE HA 1 48 CYS HA 1.0 0.0 5.0 1211 656 1 53 PHE HD% 1 48 CYS HA 1.0 0.0 4.0 1212 657 1 53 PHE HE% 1 48 CYS HA 1.0 0.0 5.0 1213 658 1 53 PHE HD% 1 48 CYS HBx 1.0 0.0 5.0 1214 658 1 48 CYS HBy 1 53 PHE HD% 1.0 0.0 5.0 1215 659 1 53 PHE HE% 1 48 CYS HBx 1.0 0.0 5.0 1216 659 1 48 CYS HBy 1 53 PHE HE% 1.0 0.0 5.0 1217 660 1 48 CYS H 1 54 LYS H 1.0 0.0 6.0 1218 661 1 48 CYS H 1 54 LYS HB2 1.0 0.0 6.0 1219 661 1 48 CYS H 1 54 LYS HB3 1.0 0.0 6.0 1220 662 1 48 CYS H 1 54 LYS HGx 1.0 0.0 6.0 1221 662 1 48 CYS H 1 54 LYS HGy 1.0 0.0 6.0 1222 663 1 48 CYS H 1 54 LYS HDx 1.0 0.0 6.0 1223 663 1 48 CYS H 1 54 LYS HDy 1.0 0.0 6.0 1224 664 1 48 CYS H 1 54 LYS HEx 1.0 0.0 5.0 1225 664 1 48 CYS H 1 54 LYS HEy 1.0 0.0 5.0 1226 665 1 48 CYS HA 1 54 LYS H 1.0 0.0 4.0 1227 666 1 48 CYS HA 1 54 LYS HA 1.0 0.0 6.0 1228 667 1 48 CYS HA 1 54 LYS HB2 1.0 0.0 6.0 1229 667 1 48 CYS HA 1 54 LYS HB3 1.0 0.0 6.0 1230 668 1 48 CYS HA 1 54 LYS HGx 1.0 0.0 6.0 1231 668 1 48 CYS HA 1 54 LYS HGy 1.0 0.0 6.0 1232 669 1 77 SER HA 1 48 CYS H 1.0 0.0 5.0 1233 670 1 77 SER HA 1 48 CYS HA 1.0 0.0 5.0 1234 671 1 77 SER HA 1 48 CYS HBx 1.0 0.0 5.0 1235 671 1 48 CYS HBy 1 77 SER HA 1.0 0.0 5.0 1236 672 1 49 ASP H 1 49 ASP HA 1.0 0.0 5.0 1237 673 1 49 ASP H 1 49 ASP HBx 1.0 0.0 5.0 1238 673 1 49 ASP H 1 49 ASP HBy 1.0 0.0 5.0 1239 674 1 49 ASP H 1 50 GLN H 1.0 0.0 5.0 1240 675 1 50 GLN HA 1 49 ASP H 1.0 0.0 6.0 1241 676 1 49 ASP H 1 50 GLN HBx 1.0 0.0 6.0 1242 676 1 49 ASP H 1 50 GLN HBy 1.0 0.0 6.0 1243 677 1 50 GLN H 1 49 ASP HA 1.0 0.0 3.0 1244 678 1 50 GLN HA 1 49 ASP HA 1.0 0.0 4.5 1245 679 1 49 ASP HA 1 50 GLN HBx 1.0 0.0 5.0 1246 679 1 49 ASP HA 1 50 GLN HBy 1.0 0.0 5.0 1247 680 1 49 ASP HA 1 50 GLN HGx 1.0 0.0 6.0 1248 680 1 49 ASP HA 1 50 GLN HGy 1.0 0.0 6.0 1249 681 1 50 GLN H 1 49 ASP HBx 1.0 0.0 5.0 1250 681 1 49 ASP HBy 1 50 GLN H 1.0 0.0 5.0 1251 682 1 50 GLN HA 1 49 ASP HBx 1.0 0.0 6.0 1252 682 1 50 GLN HA 1 49 ASP HBy 1.0 0.0 6.0 1253 683 1 51 CYS H 1 49 ASP H 1.0 0.0 5.0 1254 684 1 51 CYS H 1 49 ASP HA 1.0 0.0 5.0 1255 685 1 52 ARG H 1 49 ASP H 1.0 0.0 4.0 1256 686 1 49 ASP H 1 52 ARG HBx 1.0 0.0 6.0 1257 686 1 52 ARG HBy 1 49 ASP H 1.0 0.0 6.0 1258 687 1 49 ASP H 1 52 ARG HGx 1.0 0.0 6.0 1259 687 1 52 ARG HGy 1 49 ASP H 1.0 0.0 6.0 1260 688 1 52 ARG H 1 49 ASP HA 1.0 0.0 5.0 1261 689 1 53 PHE H 1 49 ASP H 1.0 0.0 6.0 1262 690 1 53 PHE HA 1 49 ASP H 1.0 0.0 5.0 1263 691 1 53 PHE HD% 1 49 ASP H 1.0 0.0 6.0 1264 692 1 54 LYS H 1 49 ASP H 1.0 0.0 5.0 1265 693 1 49 ASP H 1 54 LYS HA 1.0 0.0 6.0 1266 694 1 49 ASP H 1 54 LYS HB2 1.0 0.0 6.0 1267 694 1 54 LYS HB3 1 49 ASP H 1.0 0.0 6.0 1268 695 1 49 ASP H 1 54 LYS HGx 1.0 0.0 5.0 1269 695 1 54 LYS HGy 1 49 ASP H 1.0 0.0 5.0 1270 696 1 49 ASP H 1 54 LYS HDx 1.0 0.0 6.0 1271 696 1 54 LYS HDy 1 49 ASP H 1.0 0.0 6.0 1272 697 1 49 ASP H 1 54 LYS HEx 1.0 0.0 6.0 1273 697 1 54 LYS HEy 1 49 ASP H 1.0 0.0 6.0 1274 698 1 49 ASP HA 1 54 LYS HGx 1.0 0.0 6.0 1275 698 1 54 LYS HGy 1 49 ASP HA 1.0 0.0 6.0 1276 699 1 54 LYS H 1 49 ASP HBx 1.0 0.0 5.0 1277 699 1 54 LYS H 1 49 ASP HBy 1.0 0.0 5.0 1278 700 1 54 LYS HA 1 49 ASP HBx 1.0 0.0 5.0 1279 700 1 49 ASP HBy 1 54 LYS HA 1.0 0.0 5.0 1280 701 1 49 ASP HBy 1 54 LYS HB2 1.0 0.0 5.0 1281 701 1 54 LYS HB3 1 49 ASP HBx 1.0 0.0 5.0 1282 701 1 54 LYS HB3 1 49 ASP HBy 1.0 0.0 5.0 1283 701 1 49 ASP HBx 1 54 LYS HB2 1.0 0.0 5.0 1284 702 1 49 ASP HBx 1 54 LYS HGx 1.0 0.0 4.0 1285 702 1 49 ASP HBy 1 54 LYS HGx 1.0 0.0 4.0 1286 702 1 54 LYS HGy 1 49 ASP HBx 1.0 0.0 4.0 1287 702 1 54 LYS HGy 1 49 ASP HBy 1.0 0.0 4.0 1288 703 1 49 ASP HBy 1 54 LYS HDx 1.0 0.0 5.0 1289 703 1 49 ASP HBx 1 54 LYS HDx 1.0 0.0 5.0 1290 703 1 54 LYS HDy 1 49 ASP HBx 1.0 0.0 5.0 1291 703 1 54 LYS HDy 1 49 ASP HBy 1.0 0.0 5.0 1292 704 1 49 ASP HBy 1 54 LYS HEx 1.0 0.0 4.0 1293 704 1 49 ASP HBx 1 54 LYS HEx 1.0 0.0 4.0 1294 704 1 54 LYS HEy 1 49 ASP HBx 1.0 0.0 4.0 1295 704 1 54 LYS HEy 1 49 ASP HBy 1.0 0.0 4.0 1296 705 1 55 LYS H 1 49 ASP HBx 1.0 0.0 6.0 1297 705 1 49 ASP HBy 1 55 LYS H 1.0 0.0 6.0 1298 706 1 50 GLN HA 1 50 GLN H 1.0 0.0 5.0 1299 707 1 50 GLN H 1 50 GLN HBx 1.0 0.0 5.0 1300 707 1 50 GLN H 1 50 GLN HBy 1.0 0.0 5.0 1301 708 1 50 GLN H 1 50 GLN HGx 1.0 0.0 5.0 1302 708 1 50 GLN H 1 50 GLN HGy 1.0 0.0 5.0 1303 709 1 51 CYS H 1 50 GLN H 1.0 0.0 4.0 1304 710 1 51 CYS HA 1 50 GLN H 1.0 0.0 6.0 1305 711 1 50 GLN HA 1 51 CYS H 1.0 0.0 4.0 1306 712 1 51 CYS H 1 50 GLN HBx 1.0 0.0 5.0 1307 712 1 51 CYS H 1 50 GLN HBy 1.0 0.0 5.0 1308 713 1 51 CYS H 1 50 GLN HGx 1.0 0.0 6.0 1309 713 1 51 CYS H 1 50 GLN HGy 1.0 0.0 6.0 1310 714 1 52 ARG H 1 50 GLN H 1.0 0.0 5.0 1311 715 1 50 GLN HA 1 52 ARG H 1.0 0.0 5.5 1312 716 1 52 ARG H 1 50 GLN HBx 1.0 0.0 6.0 1313 716 1 52 ARG H 1 50 GLN HBy 1.0 0.0 6.0 1314 717 1 50 GLN H 1 54 LYS HEx 1.0 0.0 6.0 1315 717 1 54 LYS HEy 1 50 GLN H 1.0 0.0 6.0 1316 718 1 51 CYS HA 1 51 CYS H 1.0 0.0 5.0 1317 719 1 51 CYS H 1 51 CYS HBx 1.0 0.0 5.0 1318 719 1 51 CYS HBy 1 51 CYS H 1.0 0.0 5.0 1319 720 1 51 CYS H 1 52 ARG H 1.0 0.0 4.0 1320 721 1 51 CYS H 1 52 ARG HBx 1.0 0.0 6.0 1321 721 1 51 CYS H 1 52 ARG HBy 1.0 0.0 6.0 1322 722 1 51 CYS HA 1 52 ARG H 1.0 0.0 5.0 1323 723 1 52 ARG H 1 51 CYS HBx 1.0 0.0 6.0 1324 723 1 51 CYS HBy 1 52 ARG H 1.0 0.0 6.0 1325 724 1 51 CYS HBy 1 52 ARG HGx 1.0 0.0 6.0 1326 724 1 51 CYS HBx 1 52 ARG HGx 1.0 0.0 6.0 1327 724 1 52 ARG HGy 1 51 CYS HBx 1.0 0.0 6.0 1328 724 1 51 CYS HBy 1 52 ARG HGy 1.0 0.0 6.0 1329 725 1 52 ARG HA 1 52 ARG H 1.0 0.0 5.0 1330 726 1 52 ARG H 1 52 ARG HBx 1.0 0.0 5.0 1331 726 1 52 ARG H 1 52 ARG HBy 1.0 0.0 5.0 1332 727 1 52 ARG H 1 52 ARG HGx 1.0 0.0 5.0 1333 727 1 52 ARG HGy 1 52 ARG H 1.0 0.0 5.0 1334 728 1 52 ARG H 1 52 ARG HDx 1.0 0.0 5.0 1335 728 1 52 ARG HDy 1 52 ARG H 1.0 0.0 5.0 1336 729 1 52 ARG H 1 53 PHE H 1.0 0.0 5.0 1337 730 1 52 ARG HA 1 53 PHE H 1.0 0.0 3.0 1338 731 1 52 ARG HA 1 53 PHE HBx 1.0 0.0 6.0 1339 731 1 52 ARG HA 1 53 PHE HBy 1.0 0.0 6.0 1340 732 1 53 PHE HD% 1 52 ARG HA 1.0 0.0 5.0 1341 733 1 53 PHE HE% 1 52 ARG HA 1.0 0.0 6.0 1342 734 1 53 PHE H 1 52 ARG HBx 1.0 0.0 4.0 1343 734 1 52 ARG HBy 1 53 PHE H 1.0 0.0 4.0 1344 735 1 52 ARG HBx 1 53 PHE HBx 1.0 0.0 6.0 1345 735 1 52 ARG HBy 1 53 PHE HBx 1.0 0.0 6.0 1346 735 1 53 PHE HBy 1 52 ARG HBx 1.0 0.0 6.0 1347 735 1 52 ARG HBy 1 53 PHE HBy 1.0 0.0 6.0 1348 736 1 53 PHE H 1 52 ARG HGx 1.0 0.0 5.0 1349 736 1 52 ARG HGy 1 53 PHE H 1.0 0.0 5.0 1350 737 1 53 PHE H 1 52 ARG HDx 1.0 0.0 5.0 1351 737 1 52 ARG HDy 1 53 PHE H 1.0 0.0 5.0 1352 738 1 52 ARG HE 1 53 PHE H 1.0 0.0 5.0 1353 739 1 52 ARG H 1 54 LYS HGx 1.0 0.0 6.0 1354 739 1 52 ARG H 1 54 LYS HGy 1.0 0.0 6.0 1355 740 1 53 PHE H 1 53 PHE HA 1.0 0.0 5.0 1356 741 1 53 PHE H 1 53 PHE HBx 1.0 0.0 5.0 1357 741 1 53 PHE H 1 53 PHE HBy 1.0 0.0 5.0 1358 742 1 53 PHE HD% 1 53 PHE H 1.0 0.0 5.0 1359 743 1 53 PHE HE% 1 53 PHE H 1.0 0.0 6.0 1360 744 1 53 PHE H 1 54 LYS H 1.0 0.0 5.0 1361 745 1 53 PHE HA 1 54 LYS H 1.0 0.0 3.0 1362 746 1 53 PHE HA 1 54 LYS HA 1.0 0.0 5.0 1363 747 1 53 PHE HA 1 54 LYS HB2 1.0 0.0 6.0 1364 747 1 53 PHE HA 1 54 LYS HB3 1.0 0.0 6.0 1365 748 1 53 PHE HA 1 54 LYS HGx 1.0 0.0 6.0 1366 748 1 53 PHE HA 1 54 LYS HGy 1.0 0.0 6.0 1367 749 1 54 LYS H 1 53 PHE HBx 1.0 0.0 4.0 1368 749 1 53 PHE HBy 1 54 LYS H 1.0 0.0 4.0 1369 750 1 53 PHE HD% 1 54 LYS H 1.0 0.0 4.0 1370 751 1 53 PHE HD% 1 54 LYS HGx 1.0 0.0 6.0 1371 751 1 53 PHE HD% 1 54 LYS HGy 1.0 0.0 6.0 1372 752 1 53 PHE HE% 1 54 LYS H 1.0 0.0 5.5 1373 753 1 53 PHE HA 1 55 LYS H 1.0 0.0 6.0 1374 754 1 56 ALA HA 1 53 PHE HBx 1.0 0.0 6.0 1375 754 1 53 PHE HBy 1 56 ALA HA 1.0 0.0 6.0 1376 755 1 56 ALA H 1 53 PHE HBx 1.0 0.0 6.0 1377 755 1 53 PHE HBy 1 56 ALA H 1.0 0.0 6.0 1378 756 1 53 PHE HD% 1 56 ALA H 1.0 0.0 6.0 1379 757 1 74 GLY H 1 53 PHE HBx 1.0 0.0 6.0 1380 757 1 53 PHE HBy 1 74 GLY H 1.0 0.0 6.0 1381 758 1 53 PHE HD% 1 74 GLY HAx 1.0 0.0 5.0 1382 758 1 53 PHE HD% 1 74 GLY HAy 1.0 0.0 5.0 1383 759 1 53 PHE HD% 1 74 GLY H 1.0 0.0 6.0 1384 760 1 53 PHE HD% 1 75 LYS H 1.0 0.0 6.0 1385 761 1 53 PHE HD% 1 75 LYS HA 1.0 0.0 4.0 1386 762 1 53 PHE HD% 1 75 LYS HBx 1.0 0.0 5.0 1387 762 1 53 PHE HD% 1 75 LYS HBy 1.0 0.0 5.0 1388 763 1 53 PHE HD% 1 75 LYS HG2 1.0 0.0 5.0 1389 763 1 53 PHE HD% 1 75 LYS HG3 1.0 0.0 5.0 1390 764 1 53 PHE HD% 1 75 LYS HDx 1.0 0.0 6.0 1391 764 1 53 PHE HD% 1 75 LYS HDy 1.0 0.0 6.0 1392 765 1 53 PHE HE% 1 75 LYS H 1.0 0.0 6.0 1393 766 1 53 PHE HE% 1 75 LYS HA 1.0 0.0 5.0 1394 767 1 53 PHE HE% 1 75 LYS HBx 1.0 0.0 5.0 1395 767 1 53 PHE HE% 1 75 LYS HBy 1.0 0.0 5.0 1396 768 1 53 PHE HE% 1 75 LYS HG2 1.0 0.0 6.0 1397 768 1 53 PHE HE% 1 75 LYS HG3 1.0 0.0 6.0 1398 769 1 53 PHE H 1 76 SER H 1.0 0.0 6.0 1399 770 1 53 PHE HA 1 76 SER H 1.0 0.0 6.0 1400 771 1 76 SER H 1 53 PHE HBx 1.0 0.0 6.0 1401 771 1 53 PHE HBy 1 76 SER H 1.0 0.0 6.0 1402 772 1 53 PHE HD% 1 76 SER H 1.0 0.0 5.0 1403 773 1 53 PHE HD% 1 76 SER HA 1.0 0.0 5.0 1404 774 1 53 PHE HD% 1 76 SER HBx 1.0 0.0 6.0 1405 774 1 53 PHE HD% 1 76 SER HBy 1.0 0.0 6.0 1406 775 1 53 PHE HE% 1 76 SER H 1.0 0.0 5.0 1407 776 1 53 PHE HE% 1 76 SER HA 1.0 0.0 4.0 1408 777 1 53 PHE HE% 1 76 SER HBx 1.0 0.0 5.0 1409 777 1 53 PHE HE% 1 76 SER HBy 1.0 0.0 5.0 1410 778 1 53 PHE HA 1 77 SER HA 1.0 0.0 5.0 1411 779 1 53 PHE HD% 1 77 SER H 1.0 0.0 5.0 1412 780 1 53 PHE HD% 1 77 SER HA 1.0 0.0 4.0 1413 781 1 53 PHE HD% 1 77 SER HBx 1.0 0.0 5.0 1414 781 1 53 PHE HD% 1 77 SER HBy 1.0 0.0 5.0 1415 782 1 53 PHE HE% 1 77 SER H 1.0 0.0 4.0 1416 783 1 53 PHE HE% 1 77 SER HA 1.0 0.0 4.0 1417 784 1 53 PHE HE% 1 77 SER HBx 1.0 0.0 5.0 1418 784 1 53 PHE HE% 1 77 SER HBy 1.0 0.0 5.0 1419 785 1 78 ASP H 1 53 PHE HBx 1.0 0.0 6.0 1420 785 1 53 PHE HBy 1 78 ASP H 1.0 0.0 6.0 1421 786 1 53 PHE HD% 1 78 ASP H 1.0 0.0 6.0 1422 787 1 53 PHE HE% 1 78 ASP H 1.0 0.0 5.0 1423 788 1 54 LYS H 1 54 LYS HA 1.0 0.0 5.0 1424 789 1 54 LYS H 1 54 LYS HB2 1.0 0.0 5.0 1425 789 1 54 LYS HB3 1 54 LYS H 1.0 0.0 5.0 1426 790 1 54 LYS H 1 54 LYS HGx 1.0 0.0 5.0 1427 790 1 54 LYS HGy 1 54 LYS H 1.0 0.0 5.0 1428 791 1 54 LYS H 1 54 LYS HDx 1.0 0.0 5.0 1429 791 1 54 LYS HDy 1 54 LYS H 1.0 0.0 5.0 1430 792 1 54 LYS H 1 55 LYS H 1.0 0.0 5.0 1431 793 1 54 LYS HA 1 55 LYS H 1.0 0.0 2.2 1432 794 1 54 LYS HA 1 55 LYS HBx 1.0 0.0 5.0 1433 794 1 54 LYS HA 1 55 LYS HBy 1.0 0.0 5.0 1434 795 1 55 LYS H 1 54 LYS HB2 1.0 0.0 4.0 1435 795 1 54 LYS HB3 1 55 LYS H 1.0 0.0 4.0 1436 796 1 55 LYS H 1 54 LYS HGx 1.0 0.0 5.0 1437 796 1 54 LYS HGy 1 55 LYS H 1.0 0.0 5.0 1438 797 1 55 LYS H 1 54 LYS HDx 1.0 0.0 6.0 1439 797 1 54 LYS HDy 1 55 LYS H 1.0 0.0 6.0 1440 798 1 55 LYS H 1 54 LYS HEx 1.0 0.0 6.0 1441 798 1 54 LYS HEy 1 55 LYS H 1.0 0.0 6.0 1442 799 1 54 LYS H 1 58 THR HB 1.0 0.0 6.0 1443 800 1 54 LYS H 1 58 THR HG2% 1.0 0.0 5.0 1444 801 1 58 THR HG2% 1 54 LYS HB2 1.0 0.0 5.0 1445 801 1 54 LYS HB3 1 58 THR HG2% 1.0 0.0 5.0 1446 802 1 58 THR H 1 54 LYS HB2 1.0 0.0 6.0 1447 802 1 54 LYS HB3 1 58 THR H 1.0 0.0 6.0 1448 803 1 58 THR HB 1 54 LYS HB2 1.0 0.0 5.0 1449 803 1 54 LYS HB3 1 58 THR HB 1.0 0.0 5.0 1450 804 1 58 THR H 1 54 LYS HGx 1.0 0.0 6.0 1451 804 1 54 LYS HGy 1 58 THR H 1.0 0.0 6.0 1452 805 1 58 THR HB 1 54 LYS HGx 1.0 0.0 6.0 1453 805 1 54 LYS HGy 1 58 THR HB 1.0 0.0 6.0 1454 806 1 58 THR HG2% 1 54 LYS HGx 1.0 0.0 5.0 1455 806 1 54 LYS HGy 1 58 THR HG2% 1.0 0.0 5.0 1456 807 1 58 THR H 1 54 LYS HDx 1.0 0.0 6.0 1457 807 1 54 LYS HDy 1 58 THR H 1.0 0.0 6.0 1458 808 1 58 THR HB 1 54 LYS HDx 1.0 0.0 5.0 1459 808 1 54 LYS HDy 1 58 THR HB 1.0 0.0 5.0 1460 809 1 58 THR HG2% 1 54 LYS HDx 1.0 0.0 4.0 1461 809 1 54 LYS HDy 1 58 THR HG2% 1.0 0.0 4.0 1462 810 1 58 THR HG2% 1 54 LYS HEx 1.0 0.0 4.0 1463 810 1 54 LYS HEy 1 58 THR HG2% 1.0 0.0 4.0 1464 811 1 58 THR HG2% 1 54 LYS HZ% 1.0 0.0 5.0 1465 812 1 54 LYS HA 1 72 CYS HBx 1.0 0.0 5.0 1466 812 1 72 CYS HBy 1 54 LYS HA 1.0 0.0 5.0 1467 813 1 72 CYS H 1 54 LYS HB2 1.0 0.0 6.0 1468 813 1 54 LYS HB3 1 72 CYS H 1.0 0.0 6.0 1469 814 1 54 LYS HB3 1 72 CYS HBx 1.0 0.0 5.0 1470 814 1 54 LYS HB2 1 72 CYS HBx 1.0 0.0 5.0 1471 814 1 72 CYS HBy 1 54 LYS HB2 1.0 0.0 5.0 1472 814 1 54 LYS HB3 1 72 CYS HBy 1.0 0.0 5.0 1473 815 1 77 SER HA 1 54 LYS H 1.0 0.0 5.0 1474 816 1 55 LYS H 1 55 LYS HA 1.0 0.0 5.0 1475 817 1 55 LYS H 1 55 LYS HBx 1.0 0.0 5.0 1476 817 1 55 LYS H 1 55 LYS HBy 1.0 0.0 5.0 1477 818 1 55 LYS H 1 55 LYS HGx 1.0 0.0 5.0 1478 818 1 55 LYS H 1 55 LYS HGy 1.0 0.0 5.0 1479 819 1 55 LYS H 1 55 LYS HD2 1.0 0.0 5.0 1480 819 1 55 LYS H 1 55 LYS HD3 1.0 0.0 5.0 1481 820 1 55 LYS H 1 55 LYS HE2 1.0 0.0 6.0 1482 820 1 55 LYS H 1 55 LYS HE3 1.0 0.0 6.0 1483 821 1 55 LYS H 1 56 ALA H 1.0 0.0 4.5 1484 822 1 55 LYS H 1 56 ALA HB% 1.0 0.0 6.0 1485 823 1 56 ALA H 1 55 LYS HA 1.0 0.0 2.2 1486 824 1 55 LYS HA 1 56 ALA HB% 1.0 0.0 4.0 1487 825 1 56 ALA H 1 55 LYS HBx 1.0 0.0 4.0 1488 825 1 56 ALA H 1 55 LYS HBy 1.0 0.0 4.0 1489 826 1 56 ALA H 1 55 LYS HGx 1.0 0.0 4.0 1490 826 1 56 ALA H 1 55 LYS HGy 1.0 0.0 4.0 1491 827 1 56 ALA H 1 55 LYS HE2 1.0 0.0 5.0 1492 827 1 56 ALA H 1 55 LYS HE3 1.0 0.0 5.0 1493 828 1 56 ALA HB% 1 55 LYS HE2 1.0 0.0 6.0 1494 828 1 55 LYS HE3 1 56 ALA HB% 1.0 0.0 6.0 1495 829 1 58 THR HB 1 55 LYS H 1.0 0.0 5.0 1496 830 1 58 THR HG2% 1 55 LYS H 1.0 0.0 5.0 1497 831 1 58 THR H 1 55 LYS HA 1.0 0.0 6.0 1498 832 1 58 THR H 1 55 LYS HBx 1.0 0.0 5.0 1499 832 1 55 LYS HBy 1 58 THR H 1.0 0.0 5.0 1500 833 1 58 THR HB 1 55 LYS HBx 1.0 0.0 6.0 1501 833 1 58 THR HB 1 55 LYS HBy 1.0 0.0 6.0 1502 834 1 58 THR HG2% 1 55 LYS HBx 1.0 0.0 6.0 1503 834 1 58 THR HG2% 1 55 LYS HBy 1.0 0.0 6.0 1504 835 1 58 THR H 1 55 LYS HGx 1.0 0.0 5.0 1505 835 1 58 THR H 1 55 LYS HGy 1.0 0.0 5.0 1506 836 1 74 GLY H 1 55 LYS HA 1.0 0.0 5.0 1507 837 1 55 LYS HA 1 74 GLY HAx 1.0 0.0 4.0 1508 837 1 74 GLY HAy 1 55 LYS HA 1.0 0.0 4.0 1509 838 1 56 ALA HA 1 56 ALA H 1.0 0.0 5.0 1510 839 1 56 ALA H 1 56 ALA HB% 1.0 0.0 5.0 1511 840 1 56 ALA H 1 57 GLY H 1.0 0.0 4.5 1512 841 1 56 ALA H 1 57 GLY HAx 1.0 0.0 6.0 1513 841 1 56 ALA H 1 57 GLY HAy 1.0 0.0 6.0 1514 842 1 56 ALA HA 1 57 GLY H 1.0 0.0 2.5 1515 843 1 56 ALA HA 1 57 GLY HAx 1.0 0.0 4.0 1516 843 1 56 ALA HA 1 57 GLY HAy 1.0 0.0 4.0 1517 844 1 56 ALA HB% 1 57 GLY H 1.0 0.0 4.0 1518 845 1 56 ALA HB% 1 57 GLY HAx 1.0 0.0 5.0 1519 845 1 56 ALA HB% 1 57 GLY HAy 1.0 0.0 5.0 1520 846 1 56 ALA H 1 58 THR H 1.0 0.0 5.0 1521 847 1 56 ALA HA 1 58 THR H 1.0 0.0 4.0 1522 848 1 58 THR H 1 56 ALA HB% 1.0 0.0 5.0 1523 849 1 56 ALA HB% 1 71 TYR HB2 1.0 0.0 6.0 1524 849 1 56 ALA HB% 1 71 TYR HB3 1.0 0.0 6.0 1525 850 1 56 ALA HB% 1 71 TYR HD% 1.0 0.0 6.0 1526 851 1 56 ALA HB% 1 71 TYR HE% 1.0 0.0 6.0 1527 852 1 56 ALA HA 1 72 CYS HBx 1.0 0.0 5.0 1528 852 1 72 CYS HBy 1 56 ALA HA 1.0 0.0 5.0 1529 853 1 72 CYS H 1 56 ALA HB% 1.0 0.0 6.0 1530 854 1 56 ALA HB% 1 72 CYS HBx 1.0 0.0 6.0 1531 854 1 72 CYS HBy 1 56 ALA HB% 1.0 0.0 6.0 1532 855 1 56 ALA H 1 73 THR HG2% 1.0 0.0 6.0 1533 856 1 73 THR H 1 56 ALA HA 1.0 0.0 5.0 1534 857 1 56 ALA HA 1 73 THR HA 1.0 0.0 4.0 1535 858 1 56 ALA HA 1 73 THR HG2% 1.0 0.0 5.0 1536 859 1 73 THR H 1 56 ALA HB% 1.0 0.0 5.0 1537 860 1 56 ALA H 1 74 GLY H 1.0 0.0 5.0 1538 861 1 56 ALA H 1 74 GLY HAx 1.0 0.0 4.0 1539 861 1 56 ALA H 1 74 GLY HAy 1.0 0.0 4.0 1540 862 1 56 ALA HA 1 74 GLY H 1.0 0.0 5.0 1541 863 1 56 ALA HA 1 74 GLY HAx 1.0 0.0 5.0 1542 863 1 56 ALA HA 1 74 GLY HAy 1.0 0.0 5.0 1543 864 1 74 GLY H 1 56 ALA HB% 1.0 0.0 5.0 1544 865 1 56 ALA HB% 1 74 GLY HAx 1.0 0.0 4.0 1545 865 1 74 GLY HAy 1 56 ALA HB% 1.0 0.0 4.0 1546 866 1 56 ALA H 1 75 LYS H 1.0 0.0 6.0 1547 867 1 75 LYS H 1 56 ALA HB% 1.0 0.0 6.0 1548 868 1 56 ALA HB% 1 75 LYS HE2 1.0 0.0 6.0 1549 868 1 56 ALA HB% 1 75 LYS HE3 1.0 0.0 6.0 1550 869 1 76 SER H 1 56 ALA H 1.0 0.0 6.0 1551 870 1 76 SER H 1 56 ALA HB% 1.0 0.0 6.0 1552 871 1 57 GLY H 1 57 GLY HAx 1.0 0.0 5.0 1553 871 1 57 GLY H 1 57 GLY HAy 1.0 0.0 5.0 1554 872 1 58 THR H 1 57 GLY H 1.0 0.0 4.0 1555 873 1 58 THR H 1 57 GLY HAx 1.0 0.0 4.0 1556 873 1 58 THR H 1 57 GLY HAy 1.0 0.0 4.0 1557 874 1 58 THR HG2% 1 57 GLY HAx 1.0 0.0 6.0 1558 874 1 58 THR HG2% 1 57 GLY HAy 1.0 0.0 6.0 1559 875 1 59 VAL H 1 57 GLY HAx 1.0 0.0 6.0 1560 875 1 57 GLY HAy 1 59 VAL H 1.0 0.0 6.0 1561 876 1 57 GLY HAy 1 59 VAL HGx% 1.0 0.0 6.0 1562 876 1 59 VAL HGy% 1 57 GLY HAx 1.0 0.0 6.0 1563 876 1 57 GLY HAy 1 59 VAL HGy% 1.0 0.0 6.0 1564 876 1 57 GLY HAx 1 59 VAL HGx% 1.0 0.0 6.0 1565 877 1 57 GLY H 1 71 TYR HA 1.0 0.0 5.0 1566 878 1 57 GLY H 1 71 TYR HB2 1.0 0.0 5.0 1567 878 1 57 GLY H 1 71 TYR HB3 1.0 0.0 5.0 1568 879 1 57 GLY H 1 71 TYR HD% 1.0 0.0 5.0 1569 880 1 71 TYR HA 1 57 GLY HAx 1.0 0.0 6.0 1570 880 1 57 GLY HAy 1 71 TYR HA 1.0 0.0 6.0 1571 881 1 57 GLY HAx 1 71 TYR HB2 1.0 0.0 4.0 1572 881 1 57 GLY HAy 1 71 TYR HB2 1.0 0.0 4.0 1573 881 1 71 TYR HB3 1 57 GLY HAx 1.0 0.0 4.0 1574 881 1 57 GLY HAy 1 71 TYR HB3 1.0 0.0 4.0 1575 882 1 71 TYR HD% 1 57 GLY HAx 1.0 0.0 4.0 1576 882 1 57 GLY HAy 1 71 TYR HD% 1.0 0.0 4.0 1577 883 1 71 TYR HE% 1 57 GLY HAx 1.0 0.0 5.0 1578 883 1 57 GLY HAy 1 71 TYR HE% 1.0 0.0 5.0 1579 884 1 72 CYS H 1 57 GLY H 1.0 0.0 5.0 1580 885 1 57 GLY H 1 72 CYS HA 1.0 0.0 6.0 1581 886 1 57 GLY H 1 72 CYS HBx 1.0 0.0 5.0 1582 886 1 72 CYS HBy 1 57 GLY H 1.0 0.0 5.0 1583 887 1 72 CYS H 1 57 GLY HAx 1.0 0.0 5.0 1584 887 1 72 CYS H 1 57 GLY HAy 1.0 0.0 5.0 1585 888 1 73 THR H 1 57 GLY H 1.0 0.0 6.0 1586 889 1 57 GLY H 1 73 THR HG2% 1.0 0.0 6.0 1587 890 1 79 CYS HA 1 57 GLY H 1.0 0.0 6.0 1588 891 1 58 THR H 1 58 THR HA 1.0 0.0 5.0 1589 892 1 58 THR HB 1 58 THR H 1.0 0.0 5.0 1590 893 1 58 THR HG2% 1 58 THR H 1.0 0.0 5.0 1591 894 1 58 THR H 1 59 VAL H 1.0 0.0 5.0 1592 895 1 58 THR H 1 59 VAL HGx% 1.0 0.0 6.0 1593 895 1 58 THR H 1 59 VAL HGy% 1.0 0.0 6.0 1594 896 1 59 VAL H 1 58 THR HA 1.0 0.0 2.2 1595 897 1 58 THR HA 1 59 VAL HB 1.0 0.0 5.0 1596 898 1 58 THR HA 1 59 VAL HGx% 1.0 0.0 5.0 1597 898 1 59 VAL HGy% 1 58 THR HA 1.0 0.0 5.0 1598 899 1 58 THR HB 1 59 VAL H 1.0 0.0 5.0 1599 900 1 58 THR HB 1 59 VAL HGx% 1.0 0.0 6.0 1600 900 1 58 THR HB 1 59 VAL HGy% 1.0 0.0 6.0 1601 901 1 58 THR HG2% 1 59 VAL H 1.0 0.0 4.0 1602 902 1 58 THR HG2% 1 59 VAL HA 1.0 0.0 5.0 1603 903 1 58 THR HG2% 1 59 VAL HGx% 1.0 0.0 5.0 1604 903 1 58 THR HG2% 1 59 VAL HGy% 1.0 0.0 5.0 1605 904 1 58 THR HG2% 1 60 CYS H 1.0 0.0 6.0 1606 905 1 60 CYS HA 1 58 THR HG2% 1.0 0.0 5.0 1607 906 1 58 THR HG2% 1 60 CYS HBx 1.0 0.0 6.0 1608 906 1 60 CYS HBy 1 58 THR HG2% 1.0 0.0 6.0 1609 907 1 58 THR H 1 71 TYR HA 1.0 0.0 5.0 1610 908 1 58 THR H 1 71 TYR HB2 1.0 0.0 5.0 1611 908 1 58 THR H 1 71 TYR HB3 1.0 0.0 5.0 1612 909 1 58 THR H 1 71 TYR HE% 1.0 0.0 6.0 1613 910 1 71 TYR HD% 1 58 THR HA 1.0 0.0 5.0 1614 911 1 71 TYR HE% 1 58 THR HA 1.0 0.0 5.0 1615 912 1 58 THR HB 1 71 TYR HA 1.0 0.0 6.0 1616 913 1 58 THR HB 1 71 TYR HB2 1.0 0.0 6.0 1617 913 1 58 THR HB 1 71 TYR HB3 1.0 0.0 6.0 1618 914 1 58 THR HB 1 71 TYR HD% 1.0 0.0 6.0 1619 915 1 58 THR HG2% 1 71 TYR HA 1.0 0.0 6.0 1620 916 1 58 THR HG2% 1 71 TYR HD% 1.0 0.0 5.0 1621 917 1 58 THR HG2% 1 71 TYR HE% 1.0 0.0 5.0 1622 918 1 72 CYS H 1 58 THR H 1.0 0.0 4.0 1623 919 1 58 THR H 1 72 CYS HA 1.0 0.0 6.0 1624 920 1 58 THR H 1 72 CYS HBx 1.0 0.0 5.0 1625 920 1 72 CYS HBy 1 58 THR H 1.0 0.0 5.0 1626 921 1 72 CYS H 1 58 THR HA 1.0 0.0 5.0 1627 922 1 58 THR HB 1 72 CYS H 1.0 0.0 4.0 1628 923 1 58 THR HB 1 72 CYS HA 1.0 0.0 5.0 1629 924 1 58 THR HB 1 72 CYS HBx 1.0 0.0 4.0 1630 924 1 58 THR HB 1 72 CYS HBy 1.0 0.0 4.0 1631 925 1 58 THR HG2% 1 72 CYS H 1.0 0.0 5.0 1632 926 1 58 THR HG2% 1 72 CYS HBx 1.0 0.0 5.0 1633 926 1 58 THR HG2% 1 72 CYS HBy 1.0 0.0 5.0 1634 927 1 73 THR H 1 58 THR H 1.0 0.0 6.0 1635 928 1 58 THR HB 1 73 THR H 1.0 0.0 6.0 1636 929 1 59 VAL H 1 59 VAL HA 1.0 0.0 5.0 1637 930 1 59 VAL H 1 59 VAL HB 1.0 0.0 5.0 1638 931 1 59 VAL H 1 59 VAL HGx% 1.0 0.0 5.0 1639 931 1 59 VAL H 1 59 VAL HGy% 1.0 0.0 5.0 1640 932 1 59 VAL H 1 60 CYS H 1.0 0.0 5.0 1641 933 1 60 CYS HA 1 59 VAL H 1.0 0.0 6.0 1642 934 1 59 VAL HA 1 60 CYS H 1.0 0.0 3.0 1643 935 1 60 CYS HA 1 59 VAL HA 1.0 0.0 5.0 1644 936 1 59 VAL HA 1 60 CYS HBx 1.0 0.0 5.0 1645 936 1 60 CYS HBy 1 59 VAL HA 1.0 0.0 5.0 1646 937 1 59 VAL HB 1 60 CYS H 1.0 0.0 4.5 1647 938 1 60 CYS H 1 59 VAL HGx% 1.0 0.0 5.0 1648 938 1 59 VAL HGy% 1 60 CYS H 1.0 0.0 5.0 1649 939 1 60 CYS HA 1 59 VAL HGx% 1.0 0.0 5.0 1650 939 1 60 CYS HA 1 59 VAL HGy% 1.0 0.0 5.0 1651 940 1 59 VAL HGy% 1 60 CYS HBx 1.0 0.0 5.0 1652 940 1 59 VAL HGx% 1 60 CYS HBx 1.0 0.0 5.0 1653 940 1 60 CYS HBy 1 59 VAL HGx% 1.0 0.0 5.0 1654 940 1 60 CYS HBy 1 59 VAL HGy% 1.0 0.0 5.0 1655 941 1 59 VAL H 1 61 ARG H 1.0 0.0 6.0 1656 942 1 59 VAL HA 1 61 ARG H 1.0 0.0 4.0 1657 943 1 59 VAL HB 1 61 ARG H 1.0 0.0 6.0 1658 944 1 61 ARG H 1 59 VAL HGx% 1.0 0.0 5.0 1659 944 1 59 VAL HGy% 1 61 ARG H 1.0 0.0 5.0 1660 945 1 61 ARG HA 1 59 VAL HGx% 1.0 0.0 6.0 1661 945 1 59 VAL HGy% 1 61 ARG HA 1.0 0.0 6.0 1662 946 1 59 VAL HB 1 62 ILE HG2% 1.0 0.0 6.0 1663 947 1 62 ILE H 1 59 VAL HGx% 1.0 0.0 6.0 1664 947 1 59 VAL HGy% 1 62 ILE H 1.0 0.0 6.0 1665 948 1 62 ILE HA 1 59 VAL HGx% 1.0 0.0 6.0 1666 948 1 59 VAL HGy% 1 62 ILE HA 1.0 0.0 6.0 1667 949 1 59 VAL HGy% 1 62 ILE HG1x 1.0 0.0 5.0 1668 949 1 59 VAL HGx% 1 62 ILE HG1x 1.0 0.0 5.0 1669 949 1 62 ILE HG1y 1 59 VAL HGx% 1.0 0.0 5.0 1670 949 1 59 VAL HGy% 1 62 ILE HG1y 1.0 0.0 5.0 1671 950 1 62 ILE HD1% 1 59 VAL HGx% 1.0 0.0 6.0 1672 950 1 59 VAL HGy% 1 62 ILE HD1% 1.0 0.0 6.0 1673 951 1 63 ALA H 1 59 VAL HGx% 1.0 0.0 6.0 1674 951 1 59 VAL HGy% 1 63 ALA H 1.0 0.0 6.0 1675 952 1 59 VAL H 1 69 ASP HBx 1.0 0.0 6.0 1676 952 1 59 VAL H 1 69 ASP HBy 1.0 0.0 6.0 1677 953 1 59 VAL HA 1 69 ASP HBx 1.0 0.0 6.0 1678 953 1 59 VAL HA 1 69 ASP HBy 1.0 0.0 6.0 1679 954 1 69 ASP H 1 59 VAL HGx% 1.0 0.0 6.0 1680 954 1 59 VAL HGy% 1 69 ASP H 1.0 0.0 6.0 1681 955 1 69 ASP HA 1 59 VAL HGx% 1.0 0.0 5.0 1682 955 1 59 VAL HGy% 1 69 ASP HA 1.0 0.0 5.0 1683 956 1 59 VAL HGy% 1 69 ASP HBx 1.0 0.0 4.0 1684 956 1 59 VAL HGx% 1 69 ASP HBx 1.0 0.0 4.0 1685 956 1 69 ASP HBy 1 59 VAL HGx% 1.0 0.0 4.0 1686 956 1 59 VAL HGy% 1 69 ASP HBy 1.0 0.0 4.0 1687 957 1 70 ASP H 1 59 VAL HGx% 1.0 0.0 5.0 1688 957 1 59 VAL HGy% 1 70 ASP H 1.0 0.0 5.0 1689 958 1 70 ASP HA 1 59 VAL HGx% 1.0 0.0 6.0 1690 958 1 59 VAL HGy% 1 70 ASP HA 1.0 0.0 6.0 1691 959 1 59 VAL HGy% 1 70 ASP HBx 1.0 0.0 6.0 1692 959 1 59 VAL HGx% 1 70 ASP HBx 1.0 0.0 6.0 1693 959 1 70 ASP HBy 1 59 VAL HGx% 1.0 0.0 6.0 1694 959 1 59 VAL HGy% 1 70 ASP HBy 1.0 0.0 6.0 1695 960 1 59 VAL H 1 71 TYR HA 1.0 0.0 5.0 1696 961 1 59 VAL H 1 71 TYR HB2 1.0 0.0 6.0 1697 961 1 71 TYR HB3 1 59 VAL H 1.0 0.0 6.0 1698 962 1 71 TYR HD% 1 59 VAL H 1.0 0.0 4.0 1699 963 1 71 TYR HE% 1 59 VAL H 1.0 0.0 5.0 1700 964 1 71 TYR HA 1 59 VAL HA 1.0 0.0 4.0 1701 965 1 59 VAL HA 1 71 TYR HB2 1.0 0.0 4.0 1702 965 1 71 TYR HB3 1 59 VAL HA 1.0 0.0 4.0 1703 966 1 71 TYR HD% 1 59 VAL HA 1.0 0.0 4.0 1704 967 1 71 TYR HE% 1 59 VAL HA 1.0 0.0 4.0 1705 968 1 71 TYR HA 1 59 VAL HB 1.0 0.0 5.0 1706 969 1 71 TYR HD% 1 59 VAL HB 1.0 0.0 4.0 1707 970 1 71 TYR HE% 1 59 VAL HB 1.0 0.0 4.0 1708 971 1 71 TYR HA 1 59 VAL HGx% 1.0 0.0 5.0 1709 971 1 59 VAL HGy% 1 71 TYR HA 1.0 0.0 5.0 1710 972 1 59 VAL HGx% 1 71 TYR HB2 1.0 0.0 5.0 1711 972 1 59 VAL HGy% 1 71 TYR HB2 1.0 0.0 5.0 1712 972 1 71 TYR HB3 1 59 VAL HGx% 1.0 0.0 5.0 1713 972 1 71 TYR HB3 1 59 VAL HGy% 1.0 0.0 5.0 1714 973 1 71 TYR HD% 1 59 VAL HGx% 1.0 0.0 5.0 1715 973 1 71 TYR HD% 1 59 VAL HGy% 1.0 0.0 5.0 1716 974 1 71 TYR HE% 1 59 VAL HGx% 1.0 0.0 5.0 1717 974 1 71 TYR HE% 1 59 VAL HGy% 1.0 0.0 5.0 1718 975 1 72 CYS H 1 59 VAL H 1.0 0.0 6.0 1719 976 1 72 CYS H 1 59 VAL HA 1.0 0.0 4.0 1720 977 1 59 VAL HA 1 72 CYS HBx 1.0 0.0 5.0 1721 977 1 72 CYS HBy 1 59 VAL HA 1.0 0.0 5.0 1722 978 1 72 CYS H 1 59 VAL HB 1.0 0.0 6.0 1723 979 1 72 CYS H 1 59 VAL HGx% 1.0 0.0 5.0 1724 979 1 72 CYS H 1 59 VAL HGy% 1.0 0.0 5.0 1725 980 1 60 CYS HA 1 60 CYS H 1.0 0.0 5.0 1726 981 1 60 CYS H 1 60 CYS HBx 1.0 0.0 5.0 1727 981 1 60 CYS HBy 1 60 CYS H 1.0 0.0 5.0 1728 982 1 60 CYS H 1 61 ARG H 1.0 0.0 4.0 1729 983 1 60 CYS H 1 61 ARG HA 1.0 0.0 5.0 1730 984 1 60 CYS H 1 61 ARG HBx 1.0 0.0 6.0 1731 984 1 60 CYS H 1 61 ARG HBy 1.0 0.0 6.0 1732 985 1 60 CYS HA 1 61 ARG H 1.0 0.0 4.0 1733 986 1 60 CYS HA 1 61 ARG HA 1.0 0.0 6.0 1734 987 1 60 CYS HA 1 61 ARG HBx 1.0 0.0 6.0 1735 987 1 60 CYS HA 1 61 ARG HBy 1.0 0.0 6.0 1736 988 1 61 ARG H 1 60 CYS HBx 1.0 0.0 5.0 1737 988 1 60 CYS HBy 1 61 ARG H 1.0 0.0 5.0 1738 989 1 60 CYS H 1 70 ASP H 1.0 0.0 5.5 1739 990 1 60 CYS H 1 70 ASP HBx 1.0 0.0 6.0 1740 990 1 60 CYS H 1 70 ASP HBy 1.0 0.0 6.0 1741 991 1 60 CYS H 1 71 TYR H 1.0 0.0 6.0 1742 992 1 71 TYR HA 1 60 CYS H 1.0 0.0 4.0 1743 993 1 60 CYS H 1 71 TYR HB2 1.0 0.0 5.0 1744 993 1 71 TYR HB3 1 60 CYS H 1.0 0.0 5.0 1745 994 1 71 TYR HD% 1 60 CYS H 1.0 0.0 5.0 1746 995 1 71 TYR HE% 1 60 CYS H 1.0 0.0 6.0 1747 996 1 71 TYR HA 1 60 CYS HBx 1.0 0.0 6.0 1748 996 1 60 CYS HBy 1 71 TYR HA 1.0 0.0 6.0 1749 997 1 72 CYS H 1 60 CYS H 1.0 0.0 4.0 1750 998 1 60 CYS HA 1 72 CYS H 1.0 0.0 6.0 1751 999 1 72 CYS H 1 60 CYS HBx 1.0 0.0 5.0 1752 999 1 60 CYS HBy 1 72 CYS H 1.0 0.0 5.0 1753 1000 1 60 CYS HA 1 79 CYS HBx 1.0 0.0 6.0 1754 1000 1 60 CYS HA 1 79 CYS HBy 1.0 0.0 6.0 1755 1001 1 79 CYS H 1 60 CYS HBx 1.0 0.0 6.0 1756 1001 1 60 CYS HBy 1 79 CYS H 1.0 0.0 6.0 1757 1002 1 79 CYS HA 1 60 CYS HBx 1.0 0.0 5.0 1758 1002 1 60 CYS HBy 1 79 CYS HA 1.0 0.0 5.0 1759 1003 1 60 CYS HBx 1 79 CYS HBx 1.0 0.0 5.0 1760 1003 1 60 CYS HBy 1 79 CYS HBx 1.0 0.0 5.0 1761 1003 1 79 CYS HBy 1 60 CYS HBx 1.0 0.0 5.0 1762 1003 1 60 CYS HBy 1 79 CYS HBy 1.0 0.0 5.0 1763 1004 1 61 ARG H 1 61 ARG HA 1.0 0.0 5.0 1764 1005 1 61 ARG H 1 61 ARG HBx 1.0 0.0 5.0 1765 1005 1 61 ARG H 1 61 ARG HBy 1.0 0.0 5.0 1766 1006 1 61 ARG H 1 61 ARG HGx 1.0 0.0 5.0 1767 1006 1 61 ARG H 1 61 ARG HGy 1.0 0.0 5.0 1768 1007 1 61 ARG H 1 62 ILE H 1.0 0.0 5.0 1769 1008 1 61 ARG HA 1 62 ILE H 1.0 0.0 3.5 1770 1009 1 61 ARG HA 1 62 ILE HG1x 1.0 0.0 6.0 1771 1009 1 61 ARG HA 1 62 ILE HG1y 1.0 0.0 6.0 1772 1010 1 61 ARG HA 1 62 ILE HG2% 1.0 0.0 6.0 1773 1011 1 61 ARG HA 1 62 ILE HD1% 1.0 0.0 6.0 1774 1012 1 62 ILE H 1 61 ARG HBx 1.0 0.0 5.0 1775 1012 1 62 ILE H 1 61 ARG HBy 1.0 0.0 5.0 1776 1013 1 62 ILE H 1 61 ARG HGx 1.0 0.0 4.0 1777 1013 1 62 ILE H 1 61 ARG HGy 1.0 0.0 4.0 1778 1014 1 62 ILE H 1 61 ARG HE 1.0 0.0 6.0 1779 1015 1 62 ILE H 1 61 ARG HH1% 1.0 0.0 6.0 1780 1015 1 62 ILE H 1 61 ARG HH2% 1.0 0.0 6.0 1781 1016 1 63 ALA HB% 1 61 ARG HBx 1.0 0.0 6.0 1782 1016 1 61 ARG HBy 1 63 ALA HB% 1.0 0.0 6.0 1783 1017 1 61 ARG HE 1 63 ALA HB% 1.0 0.0 6.0 1784 1018 1 63 ALA HB% 1 61 ARG HH1% 1.0 0.0 6.0 1785 1018 1 61 ARG HH2% 1 63 ALA HB% 1.0 0.0 6.0 1786 1019 1 61 ARG H 1 69 ASP HA 1.0 0.0 6.0 1787 1020 1 69 ASP HA 1 61 ARG HBx 1.0 0.0 6.0 1788 1020 1 69 ASP HA 1 61 ARG HBy 1.0 0.0 6.0 1789 1021 1 61 ARG H 1 70 ASP H 1.0 0.0 5.0 1790 1022 1 61 ARG H 1 70 ASP HBx 1.0 0.0 6.0 1791 1022 1 61 ARG H 1 70 ASP HBy 1.0 0.0 6.0 1792 1023 1 70 ASP HA 1 61 ARG HBx 1.0 0.0 6.0 1793 1023 1 70 ASP HA 1 61 ARG HBy 1.0 0.0 6.0 1794 1024 1 61 ARG HBx 1 70 ASP HBx 1.0 0.0 4.5 1795 1024 1 61 ARG HBy 1 70 ASP HBx 1.0 0.0 4.5 1796 1024 1 70 ASP HBy 1 61 ARG HBx 1.0 0.0 4.5 1797 1024 1 70 ASP HBy 1 61 ARG HBy 1.0 0.0 4.5 1798 1025 1 70 ASP HA 1 61 ARG HGx 1.0 0.0 6.0 1799 1025 1 70 ASP HA 1 61 ARG HGy 1.0 0.0 6.0 1800 1026 1 61 ARG HGy 1 70 ASP HBx 1.0 0.0 6.0 1801 1026 1 61 ARG HGx 1 70 ASP HBx 1.0 0.0 6.0 1802 1026 1 70 ASP HBy 1 61 ARG HGx 1.0 0.0 6.0 1803 1026 1 70 ASP HBy 1 61 ARG HGy 1.0 0.0 6.0 1804 1027 1 61 ARG HE 1 70 ASP HBx 1.0 0.0 6.0 1805 1027 1 70 ASP HBy 1 61 ARG HE 1.0 0.0 6.0 1806 1028 1 70 ASP H 1 61 ARG HH1% 1.0 0.0 6.0 1807 1028 1 70 ASP H 1 61 ARG HH2% 1.0 0.0 6.0 1808 1029 1 61 ARG HH1% 1 70 ASP HBx 1.0 0.0 5.0 1809 1029 1 61 ARG HH2% 1 70 ASP HBx 1.0 0.0 5.0 1810 1029 1 70 ASP HBy 1 61 ARG HH1% 1.0 0.0 5.0 1811 1029 1 70 ASP HBy 1 61 ARG HH2% 1.0 0.0 5.0 1812 1030 1 71 TYR HA 1 61 ARG H 1.0 0.0 5.0 1813 1031 1 72 CYS H 1 61 ARG H 1.0 0.0 6.0 1814 1032 1 61 ARG HE 1 79 CYS HBx 1.0 0.0 6.0 1815 1032 1 79 CYS HBy 1 61 ARG HE 1.0 0.0 6.0 1816 1033 1 79 CYS H 1 61 ARG HH1% 1.0 0.0 6.0 1817 1033 1 79 CYS H 1 61 ARG HH2% 1.0 0.0 6.0 1818 1034 1 79 CYS HA 1 61 ARG HH1% 1.0 0.0 6.0 1819 1034 1 79 CYS HA 1 61 ARG HH2% 1.0 0.0 6.0 1820 1035 1 61 ARG HH1% 1 79 CYS HBx 1.0 0.0 5.0 1821 1035 1 61 ARG HH2% 1 79 CYS HBx 1.0 0.0 5.0 1822 1035 1 79 CYS HBy 1 61 ARG HH1% 1.0 0.0 5.0 1823 1035 1 79 CYS HBy 1 61 ARG HH2% 1.0 0.0 5.0 1824 1036 1 80 PRO HA 1 61 ARG HH1% 1.0 0.0 6.0 1825 1036 1 61 ARG HH2% 1 80 PRO HA 1.0 0.0 6.0 1826 1037 1 61 ARG HH2% 1 80 PRO HBx 1.0 0.0 6.0 1827 1037 1 61 ARG HH1% 1 80 PRO HBx 1.0 0.0 6.0 1828 1037 1 80 PRO HBy 1 61 ARG HH1% 1.0 0.0 6.0 1829 1037 1 61 ARG HH2% 1 80 PRO HBy 1.0 0.0 6.0 1830 1038 1 81 TRP HE3 1 61 ARG HBx 1.0 0.0 6.0 1831 1038 1 61 ARG HBy 1 81 TRP HE3 1.0 0.0 6.0 1832 1039 1 81 TRP HH2 1 61 ARG HBx 1.0 0.0 6.0 1833 1039 1 61 ARG HBy 1 81 TRP HH2 1.0 0.0 6.0 1834 1040 1 81 TRP HZ3 1 61 ARG HBx 1.0 0.0 6.0 1835 1040 1 61 ARG HBy 1 81 TRP HZ3 1.0 0.0 6.0 1836 1041 1 81 TRP HH2 1 61 ARG HGx 1.0 0.0 6.0 1837 1041 1 61 ARG HGy 1 81 TRP HH2 1.0 0.0 6.0 1838 1042 1 81 TRP HZ3 1 61 ARG HGx 1.0 0.0 6.0 1839 1042 1 61 ARG HGy 1 81 TRP HZ3 1.0 0.0 6.0 1840 1043 1 81 TRP H 1 61 ARG HDx 1.0 0.0 6.0 1841 1043 1 61 ARG HDy 1 81 TRP H 1.0 0.0 6.0 1842 1044 1 81 TRP HE3 1 61 ARG HDx 1.0 0.0 5.0 1843 1044 1 81 TRP HE3 1 61 ARG HDy 1.0 0.0 5.0 1844 1045 1 81 TRP HZ2 1 61 ARG HDx 1.0 0.0 6.0 1845 1045 1 61 ARG HDy 1 81 TRP HZ2 1.0 0.0 6.0 1846 1046 1 81 TRP HZ3 1 61 ARG HDx 1.0 0.0 5.0 1847 1046 1 81 TRP HZ3 1 61 ARG HDy 1.0 0.0 5.0 1848 1047 1 61 ARG HE 1 81 TRP H 1.0 0.0 6.0 1849 1048 1 61 ARG HE 1 81 TRP HA 1.0 0.0 5.0 1850 1049 1 61 ARG HE 1 81 TRP HD1 1.0 0.0 6.0 1851 1050 1 61 ARG HE 1 81 TRP HE1 1.0 0.0 6.0 1852 1051 1 61 ARG HE 1 81 TRP HH2 1.0 0.0 6.0 1853 1052 1 61 ARG HE 1 81 TRP HZ2 1.0 0.0 5.0 1854 1053 1 61 ARG HE 1 81 TRP HZ3 1.0 0.0 5.0 1855 1054 1 81 TRP H 1 61 ARG HH1% 1.0 0.0 5.0 1856 1054 1 61 ARG HH2% 1 81 TRP H 1.0 0.0 5.0 1857 1055 1 81 TRP HA 1 61 ARG HH1% 1.0 0.0 4.0 1858 1055 1 61 ARG HH2% 1 81 TRP HA 1.0 0.0 4.0 1859 1056 1 61 ARG HH2% 1 81 TRP HBx 1.0 0.0 6.0 1860 1056 1 61 ARG HH1% 1 81 TRP HBx 1.0 0.0 6.0 1861 1056 1 81 TRP HBy 1 61 ARG HH1% 1.0 0.0 6.0 1862 1056 1 61 ARG HH2% 1 81 TRP HBy 1.0 0.0 6.0 1863 1057 1 81 TRP HD1 1 61 ARG HH1% 1.0 0.0 5.0 1864 1057 1 61 ARG HH2% 1 81 TRP HD1 1.0 0.0 5.0 1865 1058 1 81 TRP HE1 1 61 ARG HH1% 1.0 0.0 5.0 1866 1058 1 61 ARG HH2% 1 81 TRP HE1 1.0 0.0 5.0 1867 1059 1 81 TRP HE3 1 61 ARG HH1% 1.0 0.0 5.0 1868 1059 1 61 ARG HH2% 1 81 TRP HE3 1.0 0.0 5.0 1869 1060 1 81 TRP HH2 1 61 ARG HH1% 1.0 0.0 6.0 1870 1060 1 61 ARG HH2% 1 81 TRP HH2 1.0 0.0 6.0 1871 1061 1 81 TRP HZ2 1 61 ARG HH1% 1.0 0.0 5.0 1872 1061 1 61 ARG HH2% 1 81 TRP HZ2 1.0 0.0 5.0 1873 1062 1 81 TRP HZ3 1 61 ARG HH1% 1.0 0.0 6.0 1874 1062 1 61 ARG HH2% 1 81 TRP HZ3 1.0 0.0 6.0 1875 1063 1 61 ARG HE 1 82 ASN H 1.0 0.0 6.0 1876 1064 1 82 ASN H 1 61 ARG HH1% 1.0 0.0 6.0 1877 1064 1 61 ARG HH2% 1 82 ASN H 1.0 0.0 6.0 1878 1065 1 62 ILE H 1 62 ILE HA 1.0 0.0 5.0 1879 1066 1 62 ILE H 1 62 ILE HB 1.0 0.0 5.0 1880 1067 1 62 ILE H 1 62 ILE HG1x 1.0 0.0 5.0 1881 1067 1 62 ILE H 1 62 ILE HG1y 1.0 0.0 5.0 1882 1068 1 62 ILE HG2% 1 62 ILE H 1.0 0.0 5.0 1883 1069 1 62 ILE H 1 62 ILE HD1% 1.0 0.0 5.0 1884 1070 1 62 ILE H 1 63 ALA H 1.0 0.0 4.0 1885 1071 1 62 ILE H 1 63 ALA HB% 1.0 0.0 6.0 1886 1072 1 62 ILE HA 1 63 ALA H 1.0 0.0 3.5 1887 1073 1 62 ILE HA 1 63 ALA HB% 1.0 0.0 4.0 1888 1074 1 63 ALA H 1 62 ILE HB 1.0 0.0 4.0 1889 1075 1 63 ALA H 1 62 ILE HG1x 1.0 0.0 5.0 1890 1075 1 62 ILE HG1y 1 63 ALA H 1.0 0.0 5.0 1891 1076 1 62 ILE HG2% 1 63 ALA H 1.0 0.0 4.0 1892 1077 1 62 ILE HG2% 1 63 ALA HA 1.0 0.0 5.0 1893 1078 1 62 ILE HG2% 1 63 ALA HB% 1.0 0.0 6.0 1894 1079 1 62 ILE HD1% 1 63 ALA H 1.0 0.0 5.0 1895 1080 1 62 ILE HD1% 1 63 ALA HA 1.0 0.0 6.0 1896 1081 1 62 ILE HD1% 1 63 ALA HB% 1.0 0.0 6.0 1897 1082 1 64 ARG H 1 62 ILE HG1x 1.0 0.0 6.0 1898 1082 1 62 ILE HG1y 1 64 ARG H 1.0 0.0 6.0 1899 1083 1 62 ILE HG2% 1 64 ARG H 1.0 0.0 5.0 1900 1084 1 62 ILE HG2% 1 64 ARG HA 1.0 0.0 6.0 1901 1085 1 62 ILE HG2% 1 64 ARG HBx 1.0 0.0 6.0 1902 1085 1 62 ILE HG2% 1 64 ARG HBy 1.0 0.0 6.0 1903 1086 1 62 ILE HG2% 1 64 ARG HD2 1.0 0.0 6.0 1904 1086 1 62 ILE HG2% 1 64 ARG HD3 1.0 0.0 6.0 1905 1087 1 62 ILE HD1% 1 64 ARG H 1.0 0.0 6.0 1906 1088 1 62 ILE HD1% 1 64 ARG HA 1.0 0.0 6.0 1907 1089 1 62 ILE HD1% 1 64 ARG HBx 1.0 0.0 6.0 1908 1089 1 62 ILE HD1% 1 64 ARG HBy 1.0 0.0 6.0 1909 1090 1 62 ILE HD1% 1 64 ARG HD2 1.0 0.0 6.0 1910 1090 1 62 ILE HD1% 1 64 ARG HD3 1.0 0.0 6.0 1911 1091 1 65 GLY H 1 62 ILE HG1x 1.0 0.0 6.0 1912 1091 1 62 ILE HG1y 1 65 GLY H 1.0 0.0 6.0 1913 1092 1 62 ILE HG2% 1 65 GLY H 1.0 0.0 6.0 1914 1093 1 62 ILE HD1% 1 65 GLY H 1.0 0.0 6.0 1915 1094 1 62 ILE HG2% 1 66 ASP H 1.0 0.0 6.0 1916 1095 1 62 ILE HG2% 1 66 ASP HA 1.0 0.0 6.0 1917 1096 1 62 ILE HG2% 1 66 ASP HBx 1.0 0.0 6.0 1918 1096 1 62 ILE HG2% 1 66 ASP HBy 1.0 0.0 6.0 1919 1097 1 62 ILE HA 1 67 TRP HD1 1.0 0.0 6.0 1920 1098 1 62 ILE HG2% 1 67 TRP H 1.0 0.0 6.0 1921 1099 1 62 ILE HG2% 1 67 TRP HD1 1.0 0.0 6.0 1922 1100 1 62 ILE HA 1 69 ASP HA 1.0 0.0 5.0 1923 1101 1 62 ILE HA 1 69 ASP HBx 1.0 0.0 5.0 1924 1101 1 62 ILE HA 1 69 ASP HBy 1.0 0.0 5.0 1925 1102 1 62 ILE HD1% 1 69 ASP HA 1.0 0.0 6.0 1926 1103 1 62 ILE HG2% 1 81 TRP HBx 1.0 0.0 6.0 1927 1103 1 62 ILE HG2% 1 81 TRP HBy 1.0 0.0 6.0 1928 1104 1 62 ILE HG2% 1 81 TRP HE3 1.0 0.0 6.0 1929 1105 1 62 ILE HD1% 1 81 TRP HA 1.0 0.0 6.0 1930 1106 1 62 ILE HD1% 1 81 TRP HBx 1.0 0.0 6.0 1931 1106 1 62 ILE HD1% 1 81 TRP HBy 1.0 0.0 6.0 1932 1107 1 62 ILE HD1% 1 81 TRP HE3 1.0 0.0 6.0 1933 1108 1 63 ALA H 1 63 ALA HA 1.0 0.0 5.0 1934 1109 1 63 ALA H 1 63 ALA HB% 1.0 0.0 5.0 1935 1110 1 63 ALA H 1 64 ARG H 1.0 0.0 4.0 1936 1111 1 63 ALA HA 1 64 ARG H 1.0 0.0 3.5 1937 1112 1 63 ALA HB% 1 64 ARG H 1.0 0.0 4.0 1938 1113 1 63 ALA HB% 1 64 ARG HD2 1.0 0.0 5.0 1939 1113 1 63 ALA HB% 1 64 ARG HD3 1.0 0.0 5.0 1940 1114 1 63 ALA HB% 1 65 GLY H 1.0 0.0 5.0 1941 1115 1 63 ALA HB% 1 65 GLY HAx 1.0 0.0 6.0 1942 1115 1 63 ALA HB% 1 65 GLY HAy 1.0 0.0 6.0 1943 1116 1 63 ALA HB% 1 66 ASP H 1.0 0.0 6.0 1944 1117 1 63 ALA HB% 1 66 ASP HA 1.0 0.0 6.0 1945 1118 1 63 ALA HB% 1 66 ASP HBx 1.0 0.0 6.0 1946 1118 1 63 ALA HB% 1 66 ASP HBy 1.0 0.0 6.0 1947 1119 1 63 ALA HA 1 67 TRP HD1 1.0 0.0 6.0 1948 1120 1 63 ALA HA 1 67 TRP HE1 1.0 0.0 5.0 1949 1121 1 63 ALA HB% 1 67 TRP H 1.0 0.0 5.0 1950 1122 1 63 ALA HB% 1 67 TRP HBx 1.0 0.0 5.0 1951 1122 1 63 ALA HB% 1 67 TRP HBy 1.0 0.0 5.0 1952 1123 1 63 ALA HB% 1 67 TRP HD1 1.0 0.0 5.0 1953 1124 1 63 ALA HB% 1 67 TRP HE1 1.0 0.0 5.5 1954 1125 1 63 ALA HB% 1 67 TRP HE3 1.0 0.0 6.0 1955 1126 1 63 ALA HB% 1 67 TRP HZ2 1.0 0.0 6.0 1956 1127 1 63 ALA H 1 68 ASN H 1.0 0.0 6.0 1957 1128 1 63 ALA H 1 68 ASN HBx 1.0 0.0 6.0 1958 1128 1 63 ALA H 1 68 ASN HBy 1.0 0.0 6.0 1959 1129 1 63 ALA H 1 68 ASN HD2y 1.0 0.0 6.0 1960 1129 1 63 ALA H 1 68 ASN HD2x 1.0 0.0 6.0 1961 1130 1 63 ALA HB% 1 68 ASN H 1.0 0.0 5.0 1962 1131 1 63 ALA HB% 1 68 ASN HBx 1.0 0.0 5.0 1963 1131 1 63 ALA HB% 1 68 ASN HBy 1.0 0.0 5.0 1964 1132 1 63 ALA HB% 1 68 ASN HD2y 1.0 0.0 5.0 1965 1132 1 63 ALA HB% 1 68 ASN HD2x 1.0 0.0 5.0 1966 1133 1 63 ALA H 1 69 ASP HA 1.0 0.0 4.0 1967 1134 1 63 ALA H 1 69 ASP HBx 1.0 0.0 6.0 1968 1134 1 63 ALA H 1 69 ASP HBy 1.0 0.0 6.0 1969 1135 1 69 ASP H 1 63 ALA HB% 1.0 0.0 5.0 1970 1136 1 69 ASP HA 1 63 ALA HB% 1.0 0.0 5.0 1971 1137 1 63 ALA HB% 1 69 ASP HBx 1.0 0.0 6.0 1972 1137 1 69 ASP HBy 1 63 ALA HB% 1.0 0.0 6.0 1973 1138 1 63 ALA HB% 1 81 TRP HE3 1.0 0.0 6.0 1974 1139 1 63 ALA HB% 1 81 TRP HZ3 1.0 0.0 6.0 1975 1140 1 63 ALA HB% 1 83 HIS HD2 1.0 0.0 6.0 1976 1141 1 64 ARG H 1 64 ARG HA 1.0 0.0 5.0 1977 1142 1 64 ARG H 1 64 ARG HBx 1.0 0.0 5.0 1978 1142 1 64 ARG H 1 64 ARG HBy 1.0 0.0 5.0 1979 1143 1 64 ARG H 1 64 ARG HGx 1.0 0.0 5.0 1980 1143 1 64 ARG H 1 64 ARG HGy 1.0 0.0 5.0 1981 1144 1 64 ARG H 1 64 ARG HD2 1.0 0.0 5.0 1982 1144 1 64 ARG H 1 64 ARG HD3 1.0 0.0 5.0 1983 1145 1 64 ARG H 1 65 GLY H 1.0 0.0 4.0 1984 1146 1 64 ARG H 1 65 GLY HAx 1.0 0.0 6.0 1985 1146 1 64 ARG H 1 65 GLY HAy 1.0 0.0 6.0 1986 1147 1 64 ARG HA 1 65 GLY H 1.0 0.0 3.5 1987 1148 1 64 ARG HA 1 65 GLY HAx 1.0 0.0 5.0 1988 1148 1 64 ARG HA 1 65 GLY HAy 1.0 0.0 5.0 1989 1149 1 65 GLY H 1 64 ARG HBx 1.0 0.0 4.0 1990 1149 1 64 ARG HBy 1 65 GLY H 1.0 0.0 4.0 1991 1150 1 65 GLY H 1 64 ARG HGx 1.0 0.0 5.0 1992 1150 1 65 GLY H 1 64 ARG HGy 1.0 0.0 5.0 1993 1151 1 65 GLY H 1 64 ARG HD2 1.0 0.0 5.0 1994 1151 1 64 ARG HD3 1 65 GLY H 1.0 0.0 5.0 1995 1152 1 64 ARG HA 1 66 ASP H 1.0 0.0 6.0 1996 1153 1 64 ARG H 1 67 TRP HBx 1.0 0.0 6.0 1997 1153 1 64 ARG H 1 67 TRP HBy 1.0 0.0 6.0 1998 1154 1 64 ARG H 1 67 TRP HD1 1.0 0.0 6.0 1999 1155 1 64 ARG H 1 67 TRP HE1 1.0 0.0 5.0 2000 1156 1 64 ARG H 1 67 TRP HZ2 1.0 0.0 6.0 2001 1157 1 64 ARG HA 1 67 TRP HZ2 1.0 0.0 6.0 2002 1158 1 67 TRP HD1 1 64 ARG HBx 1.0 0.0 6.0 2003 1158 1 64 ARG HBy 1 67 TRP HD1 1.0 0.0 6.0 2004 1159 1 67 TRP HE1 1 64 ARG HBx 1.0 0.0 6.0 2005 1159 1 64 ARG HBy 1 67 TRP HE1 1.0 0.0 6.0 2006 1160 1 67 TRP HZ2 1 64 ARG HBx 1.0 0.0 6.0 2007 1160 1 64 ARG HBy 1 67 TRP HZ2 1.0 0.0 6.0 2008 1161 1 67 TRP HE1 1 64 ARG HGx 1.0 0.0 6.0 2009 1161 1 67 TRP HE1 1 64 ARG HGy 1.0 0.0 6.0 2010 1162 1 67 TRP HZ2 1 64 ARG HGx 1.0 0.0 6.0 2011 1162 1 67 TRP HZ2 1 64 ARG HGy 1.0 0.0 6.0 2012 1163 1 67 TRP HZ2 1 64 ARG HD2 1.0 0.0 6.0 2013 1163 1 64 ARG HD3 1 67 TRP HZ2 1.0 0.0 6.0 2014 1164 1 64 ARG H 1 68 ASN HD2y 1.0 0.0 6.0 2015 1164 1 64 ARG H 1 68 ASN HD2x 1.0 0.0 6.0 2016 1165 1 65 GLY H 1 65 GLY HAx 1.0 0.0 5.0 2017 1165 1 65 GLY H 1 65 GLY HAy 1.0 0.0 5.0 2018 1166 1 65 GLY H 1 66 ASP H 1.0 0.0 4.0 2019 1167 1 66 ASP HA 1 65 GLY HAx 1.0 0.0 6.0 2020 1167 1 66 ASP HA 1 65 GLY HAy 1.0 0.0 6.0 2021 1168 1 65 GLY HAy 1 66 ASP HBx 1.0 0.0 6.0 2022 1168 1 65 GLY HAx 1 66 ASP HBx 1.0 0.0 6.0 2023 1168 1 66 ASP HBy 1 65 GLY HAx 1.0 0.0 6.0 2024 1168 1 66 ASP HBy 1 65 GLY HAy 1.0 0.0 6.0 2025 1169 1 66 ASP H 1 65 GLY HAx 1.0 0.0 3.0 2026 1169 1 66 ASP H 1 65 GLY HAy 1.0 0.0 3.0 2027 1170 1 65 GLY H 1 67 TRP HE1 1.0 0.0 6.0 2028 1171 1 67 TRP H 1 65 GLY HAx 1.0 0.0 5.0 2029 1171 1 67 TRP H 1 65 GLY HAy 1.0 0.0 5.0 2030 1172 1 67 TRP HD1 1 65 GLY HAx 1.0 0.0 6.0 2031 1172 1 67 TRP HD1 1 65 GLY HAy 1.0 0.0 6.0 2032 1173 1 67 TRP HE1 1 65 GLY HAx 1.0 0.0 6.0 2033 1173 1 65 GLY HAy 1 67 TRP HE1 1.0 0.0 6.0 2034 1174 1 67 TRP HE3 1 65 GLY HAx 1.0 0.0 6.0 2035 1174 1 65 GLY HAy 1 67 TRP HE3 1.0 0.0 6.0 2036 1175 1 67 TRP HZ2 1 65 GLY HAx 1.0 0.0 6.0 2037 1175 1 65 GLY HAy 1 67 TRP HZ2 1.0 0.0 6.0 2038 1176 1 67 TRP HZ3 1 65 GLY HAx 1.0 0.0 6.0 2039 1176 1 65 GLY HAy 1 67 TRP HZ3 1.0 0.0 6.0 2040 1177 1 67 TRP HH2 1 65 GLY HAx 1.0 0.0 6.0 2041 1177 1 65 GLY HAy 1 67 TRP HH2 1.0 0.0 6.0 2042 1178 1 65 GLY HAx 1 68 ASN HD2y 1.0 0.0 6.0 2043 1178 1 65 GLY HAy 1 68 ASN HD2y 1.0 0.0 6.0 2044 1178 1 68 ASN HD2x 1 65 GLY HAx 1.0 0.0 6.0 2045 1178 1 65 GLY HAy 1 68 ASN HD2x 1.0 0.0 6.0 2046 1179 1 66 ASP H 1 66 ASP HA 1.0 0.0 5.0 2047 1180 1 66 ASP H 1 66 ASP HBx 1.0 0.0 5.0 2048 1180 1 66 ASP H 1 66 ASP HBy 1.0 0.0 5.0 2049 1181 1 66 ASP H 1 67 TRP H 1.0 0.0 4.0 2050 1182 1 66 ASP H 1 67 TRP HBx 1.0 0.0 6.0 2051 1182 1 66 ASP H 1 67 TRP HBy 1.0 0.0 6.0 2052 1183 1 66 ASP H 1 67 TRP HD1 1.0 0.0 5.5 2053 1184 1 66 ASP H 1 67 TRP HE1 1.0 0.0 6.0 2054 1185 1 66 ASP H 1 67 TRP HE3 1.0 0.0 5.0 2055 1186 1 66 ASP HA 1 67 TRP H 1.0 0.0 3.5 2056 1187 1 66 ASP HA 1 67 TRP HD1 1.0 0.0 5.5 2057 1188 1 67 TRP H 1 66 ASP HBx 1.0 0.0 5.0 2058 1188 1 66 ASP HBy 1 67 TRP H 1.0 0.0 5.0 2059 1189 1 67 TRP HD1 1 66 ASP HBx 1.0 0.0 6.0 2060 1189 1 66 ASP HBy 1 67 TRP HD1 1.0 0.0 6.0 2061 1190 1 67 TRP HE3 1 66 ASP HBx 1.0 0.0 6.0 2062 1190 1 66 ASP HBy 1 67 TRP HE3 1.0 0.0 6.0 2063 1191 1 66 ASP HA 1 68 ASN H 1.0 0.0 6.0 2064 1192 1 68 ASN H 1 66 ASP HBx 1.0 0.0 6.0 2065 1192 1 66 ASP HBy 1 68 ASN H 1.0 0.0 6.0 2066 1193 1 67 TRP H 1 67 TRP HA 1.0 0.0 5.0 2067 1194 1 67 TRP H 1 67 TRP HBx 1.0 0.0 5.0 2068 1194 1 67 TRP H 1 67 TRP HBy 1.0 0.0 5.0 2069 1195 1 67 TRP HD1 1 67 TRP H 1.0 0.0 5.0 2070 1196 1 67 TRP H 1 67 TRP HE3 1.0 0.0 6.0 2071 1197 1 67 TRP H 1 67 TRP HE1 1.0 0.0 6.0 2072 1198 1 67 TRP H 1 68 ASN H 1.0 0.0 4.0 2073 1199 1 67 TRP H 1 68 ASN HBx 1.0 0.0 6.0 2074 1199 1 67 TRP H 1 68 ASN HBy 1.0 0.0 6.0 2075 1200 1 68 ASN H 1 67 TRP HA 1.0 0.0 3.5 2076 1201 1 68 ASN H 1 67 TRP HBx 1.0 0.0 4.0 2077 1201 1 67 TRP HBy 1 68 ASN H 1.0 0.0 4.0 2078 1202 1 67 TRP HD1 1 68 ASN H 1.0 0.0 5.0 2079 1203 1 67 TRP HD1 1 68 ASN HBx 1.0 0.0 5.5 2080 1203 1 67 TRP HD1 1 68 ASN HBy 1.0 0.0 5.5 2081 1204 1 67 TRP HE1 1 68 ASN HD2y 1.0 0.0 5.5 2082 1204 1 67 TRP HE1 1 68 ASN HD2x 1.0 0.0 5.5 2083 1205 1 67 TRP HE3 1 68 ASN H 1.0 0.0 5.5 2084 1206 1 67 TRP HD1 1 70 ASP HBx 1.0 0.0 6.0 2085 1206 1 70 ASP HBy 1 67 TRP HD1 1.0 0.0 6.0 2086 1207 1 67 TRP HE1 1 70 ASP HBx 1.0 0.0 6.0 2087 1207 1 70 ASP HBy 1 67 TRP HE1 1.0 0.0 6.0 2088 1208 1 83 HIS HD2 1 67 TRP HBx 1.0 0.0 6.0 2089 1208 1 67 TRP HBy 1 83 HIS HD2 1.0 0.0 6.0 2090 1209 1 67 TRP HD1 1 83 HIS HA 1.0 0.0 6.0 2091 1210 1 67 TRP HD1 1 83 HIS HBx 1.0 0.0 6.0 2092 1210 1 67 TRP HD1 1 83 HIS HBy 1.0 0.0 6.0 2093 1211 1 68 ASN H 1 68 ASN HA 1.0 0.0 5.0 2094 1212 1 68 ASN H 1 68 ASN HBx 1.0 0.0 5.0 2095 1212 1 68 ASN H 1 68 ASN HBy 1.0 0.0 5.0 2096 1213 1 68 ASN H 1 68 ASN HD2y 1.0 0.0 5.0 2097 1213 1 68 ASN H 1 68 ASN HD2x 1.0 0.0 5.0 2098 1214 1 69 ASP H 1 68 ASN H 1.0 0.0 4.0 2099 1215 1 69 ASP H 1 68 ASN HA 1.0 0.0 4.0 2100 1216 1 69 ASP H 1 68 ASN HBx 1.0 0.0 5.0 2101 1216 1 69 ASP H 1 68 ASN HBy 1.0 0.0 5.0 2102 1217 1 70 ASP H 1 68 ASN HA 1.0 0.0 6.0 2103 1218 1 71 TYR HD% 1 68 ASN HA 1.0 0.0 6.0 2104 1219 1 71 TYR HE% 1 68 ASN HA 1.0 0.0 6.0 2105 1220 1 71 TYR HE% 1 68 ASN HBx 1.0 0.0 6.0 2106 1220 1 71 TYR HE% 1 68 ASN HBy 1.0 0.0 6.0 2107 1221 1 68 ASN H 1 82 ASN HD2y 1.0 0.0 6.0 2108 1221 1 68 ASN H 1 82 ASN HD2x 1.0 0.0 6.0 2109 1222 1 68 ASN HBx 1 82 ASN HD2y 1.0 0.0 6.0 2110 1222 1 82 ASN HD2x 1 68 ASN HBx 1.0 0.0 6.0 2111 1222 1 68 ASN HBy 1 82 ASN HD2x 1.0 0.0 6.0 2112 1222 1 68 ASN HBy 1 82 ASN HD2y 1.0 0.0 6.0 2113 1223 1 83 HIS HD2 1 68 ASN HA 1.0 0.0 6.0 2114 1224 1 83 HIS HE1 1 68 ASN HBx 1.0 0.0 6.0 2115 1224 1 68 ASN HBy 1 83 HIS HE1 1.0 0.0 6.0 2116 1225 1 83 HIS H 1 68 ASN HD2y 1.0 0.0 6.0 2117 1225 1 68 ASN HD2x 1 83 HIS H 1.0 0.0 6.0 2118 1226 1 69 ASP H 1 69 ASP HA 1.0 0.0 5.0 2119 1227 1 69 ASP H 1 69 ASP HBx 1.0 0.0 5.0 2120 1227 1 69 ASP HBy 1 69 ASP H 1.0 0.0 5.0 2121 1228 1 69 ASP HA 1 70 ASP H 1.0 0.0 4.0 2122 1229 1 69 ASP HA 1 70 ASP HBx 1.0 0.0 5.0 2123 1229 1 69 ASP HA 1 70 ASP HBy 1.0 0.0 5.0 2124 1230 1 70 ASP H 1 69 ASP HBx 1.0 0.0 4.0 2125 1230 1 69 ASP HBy 1 70 ASP H 1.0 0.0 4.0 2126 1231 1 71 TYR HE% 1 69 ASP H 1.0 0.0 6.0 2127 1232 1 71 TYR HD% 1 69 ASP HA 1.0 0.0 5.0 2128 1233 1 71 TYR HE% 1 69 ASP HA 1.0 0.0 5.0 2129 1234 1 71 TYR HD% 1 69 ASP HBx 1.0 0.0 6.0 2130 1234 1 71 TYR HD% 1 69 ASP HBy 1.0 0.0 6.0 2131 1235 1 71 TYR HE% 1 69 ASP HBx 1.0 0.0 5.0 2132 1235 1 71 TYR HE% 1 69 ASP HBy 1.0 0.0 5.0 2133 1236 1 69 ASP H 1 81 TRP HBx 1.0 0.0 6.0 2134 1236 1 69 ASP H 1 81 TRP HBy 1.0 0.0 6.0 2135 1237 1 82 ASN H 1 69 ASP HBx 1.0 0.0 6.0 2136 1237 1 69 ASP HBy 1 82 ASN H 1.0 0.0 6.0 2137 1238 1 70 ASP H 1 70 ASP HA 1.0 0.0 5.0 2138 1239 1 70 ASP H 1 70 ASP HBx 1.0 0.0 5.0 2139 1239 1 70 ASP H 1 70 ASP HBy 1.0 0.0 5.0 2140 1240 1 70 ASP H 1 71 TYR H 1.0 0.0 5.0 2141 1241 1 70 ASP HA 1 71 TYR H 1.0 0.0 3.0 2142 1242 1 70 ASP HA 1 71 TYR HB2 1.0 0.0 5.0 2143 1242 1 71 TYR HB3 1 70 ASP HA 1.0 0.0 5.0 2144 1243 1 71 TYR HD% 1 70 ASP HA 1.0 0.0 5.0 2145 1244 1 71 TYR HE% 1 70 ASP HA 1.0 0.0 5.5 2146 1245 1 71 TYR H 1 70 ASP HBx 1.0 0.0 5.0 2147 1245 1 70 ASP HBy 1 71 TYR H 1.0 0.0 5.0 2148 1246 1 71 TYR HD% 1 70 ASP HBx 1.0 0.0 6.0 2149 1246 1 71 TYR HD% 1 70 ASP HBy 1.0 0.0 6.0 2150 1247 1 71 TYR HE% 1 70 ASP HBx 1.0 0.0 6.0 2151 1247 1 71 TYR HE% 1 70 ASP HBy 1.0 0.0 6.0 2152 1248 1 72 CYS H 1 70 ASP HBx 1.0 0.0 6.0 2153 1248 1 72 CYS H 1 70 ASP HBy 1.0 0.0 6.0 2154 1249 1 70 ASP HA 1 80 PRO HGx 1.0 0.0 6.0 2155 1249 1 70 ASP HA 1 80 PRO HGy 1.0 0.0 6.0 2156 1250 1 70 ASP HA 1 80 PRO HDx 1.0 0.0 6.0 2157 1250 1 70 ASP HA 1 80 PRO HDy 1.0 0.0 6.0 2158 1251 1 80 PRO HA 1 70 ASP HBx 1.0 0.0 6.0 2159 1251 1 70 ASP HBy 1 80 PRO HA 1.0 0.0 6.0 2160 1252 1 70 ASP HBx 1 80 PRO HGx 1.0 0.0 6.0 2161 1252 1 80 PRO HGy 1 70 ASP HBx 1.0 0.0 6.0 2162 1252 1 70 ASP HBy 1 80 PRO HGy 1.0 0.0 6.0 2163 1252 1 70 ASP HBy 1 80 PRO HGx 1.0 0.0 6.0 2164 1253 1 70 ASP HBx 1 80 PRO HDx 1.0 0.0 6.0 2165 1253 1 70 ASP HBy 1 80 PRO HDx 1.0 0.0 6.0 2166 1253 1 80 PRO HDy 1 70 ASP HBx 1.0 0.0 6.0 2167 1253 1 70 ASP HBy 1 80 PRO HDy 1.0 0.0 6.0 2168 1254 1 81 TRP HA 1 70 ASP HBx 1.0 0.0 5.0 2169 1254 1 70 ASP HBy 1 81 TRP HA 1.0 0.0 5.0 2170 1255 1 70 ASP HA 1 81 TRP HD1 1.0 0.0 6.0 2171 1256 1 70 ASP HA 1 82 ASN HD2y 1.0 0.0 6.0 2172 1256 1 70 ASP HA 1 82 ASN HD2x 1.0 0.0 6.0 2173 1257 1 70 ASP HA 1 82 ASN H 1.0 0.0 6.0 2174 1258 1 82 ASN H 1 70 ASP HBx 1.0 0.0 6.0 2175 1258 1 70 ASP HBy 1 82 ASN H 1.0 0.0 6.0 2176 1259 1 70 ASP HA 1 83 HIS HD2 1.0 0.0 6.0 2177 1260 1 71 TYR HA 1 71 TYR H 1.0 0.0 5.0 2178 1261 1 71 TYR H 1 71 TYR HB2 1.0 0.0 5.0 2179 1261 1 71 TYR HB3 1 71 TYR H 1.0 0.0 5.0 2180 1262 1 71 TYR HD% 1 71 TYR H 1.0 0.0 5.0 2181 1263 1 71 TYR HE% 1 71 TYR H 1.0 0.0 6.0 2182 1264 1 72 CYS H 1 71 TYR H 1.0 0.0 4.5 2183 1265 1 72 CYS H 1 71 TYR HA 1.0 0.0 3.0 2184 1266 1 71 TYR HA 1 72 CYS HBx 1.0 0.0 5.0 2185 1266 1 72 CYS HBy 1 71 TYR HA 1.0 0.0 5.0 2186 1267 1 72 CYS H 1 71 TYR HB2 1.0 0.0 4.0 2187 1267 1 72 CYS H 1 71 TYR HB3 1.0 0.0 4.0 2188 1268 1 72 CYS H 1 71 TYR HD% 1.0 0.0 5.0 2189 1269 1 72 CYS H 1 71 TYR HE% 1.0 0.0 6.0 2190 1270 1 73 THR HG2% 1 71 TYR H 1.0 0.0 6.0 2191 1271 1 73 THR HA 1 71 TYR HB2 1.0 0.0 5.0 2192 1271 1 71 TYR HB3 1 73 THR HA 1.0 0.0 5.0 2193 1272 1 73 THR HG2% 1 71 TYR HB2 1.0 0.0 6.0 2194 1272 1 71 TYR HB3 1 73 THR HG2% 1.0 0.0 6.0 2195 1273 1 71 TYR HD% 1 73 THR HG2% 1.0 0.0 6.0 2196 1274 1 71 TYR H 1 80 PRO HBx 1.0 0.0 5.0 2197 1274 1 71 TYR H 1 80 PRO HBy 1.0 0.0 5.0 2198 1275 1 71 TYR H 1 80 PRO HGx 1.0 0.0 5.0 2199 1275 1 71 TYR H 1 80 PRO HGy 1.0 0.0 5.0 2200 1276 1 71 TYR H 1 80 PRO HDx 1.0 0.0 5.0 2201 1276 1 71 TYR H 1 80 PRO HDy 1.0 0.0 5.0 2202 1277 1 71 TYR HD% 1 80 PRO HDx 1.0 0.0 6.0 2203 1277 1 71 TYR HD% 1 80 PRO HDy 1.0 0.0 6.0 2204 1278 1 71 TYR H 1 82 ASN HD2y 1.0 0.0 6.0 2205 1278 1 71 TYR H 1 82 ASN HD2x 1.0 0.0 6.0 2206 1279 1 72 CYS H 1 72 CYS HA 1.0 0.0 5.0 2207 1280 1 72 CYS H 1 72 CYS HBx 1.0 0.0 5.0 2208 1280 1 72 CYS HBy 1 72 CYS H 1.0 0.0 5.0 2209 1281 1 72 CYS H 1 73 THR H 1.0 0.0 5.0 2210 1282 1 72 CYS H 1 73 THR HA 1.0 0.0 6.0 2211 1283 1 72 CYS H 1 73 THR HG2% 1.0 0.0 6.0 2212 1284 1 73 THR H 1 72 CYS HA 1.0 0.0 4.0 2213 1285 1 73 THR HA 1 72 CYS HA 1.0 0.0 5.0 2214 1286 1 73 THR HG2% 1 72 CYS HA 1.0 0.0 5.0 2215 1287 1 73 THR H 1 72 CYS HBx 1.0 0.0 5.0 2216 1287 1 72 CYS HBy 1 73 THR H 1.0 0.0 5.0 2217 1288 1 72 CYS H 1 74 GLY H 1.0 0.0 6.0 2218 1289 1 74 GLY H 1 72 CYS HA 1.0 0.0 5.0 2219 1290 1 74 GLY H 1 72 CYS HBx 1.0 0.0 5.0 2220 1290 1 72 CYS HBy 1 74 GLY H 1.0 0.0 5.0 2221 1291 1 76 SER H 1 72 CYS HA 1.0 0.0 6.0 2222 1292 1 79 CYS HA 1 72 CYS HA 1.0 0.0 5.0 2223 1293 1 72 CYS H 1 80 PRO HGx 1.0 0.0 6.0 2224 1293 1 72 CYS H 1 80 PRO HGy 1.0 0.0 6.0 2225 1294 1 72 CYS H 1 80 PRO HDx 1.0 0.0 6.0 2226 1294 1 72 CYS H 1 80 PRO HDy 1.0 0.0 6.0 2227 1295 1 72 CYS HA 1 80 PRO HDx 1.0 0.0 5.0 2228 1295 1 72 CYS HA 1 80 PRO HDy 1.0 0.0 5.0 2229 1296 1 73 THR H 1 73 THR HA 1.0 0.0 5.0 2230 1297 1 73 THR H 1 73 THR HB 1.0 0.0 5.0 2231 1298 1 73 THR H 1 73 THR HG2% 1.0 0.0 5.0 2232 1299 1 73 THR H 1 74 GLY H 1.0 0.0 4.0 2233 1300 1 73 THR H 1 74 GLY HAx 1.0 0.0 5.0 2234 1300 1 73 THR H 1 74 GLY HAy 1.0 0.0 5.0 2235 1301 1 74 GLY H 1 73 THR HA 1.0 0.0 4.0 2236 1302 1 74 GLY H 1 73 THR HB 1.0 0.0 5.0 2237 1303 1 74 GLY H 1 73 THR HG2% 1.0 0.0 5.0 2238 1304 1 73 THR H 1 75 LYS H 1.0 0.0 5.0 2239 1305 1 73 THR H 1 75 LYS HBx 1.0 0.0 6.0 2240 1305 1 73 THR H 1 75 LYS HBy 1.0 0.0 6.0 2241 1306 1 73 THR H 1 75 LYS HG2 1.0 0.0 6.0 2242 1306 1 73 THR H 1 75 LYS HG3 1.0 0.0 6.0 2243 1307 1 75 LYS H 1 73 THR HA 1.0 0.0 5.0 2244 1308 1 73 THR HA 1 75 LYS HBx 1.0 0.0 6.0 2245 1308 1 75 LYS HBy 1 73 THR HA 1.0 0.0 6.0 2246 1309 1 73 THR HA 1 75 LYS HG2 1.0 0.0 5.0 2247 1309 1 75 LYS HG3 1 73 THR HA 1.0 0.0 5.0 2248 1310 1 75 LYS H 1 73 THR HB 1.0 0.0 6.0 2249 1311 1 73 THR HB 1 75 LYS HBx 1.0 0.0 6.0 2250 1311 1 75 LYS HBy 1 73 THR HB 1.0 0.0 6.0 2251 1312 1 73 THR HB 1 75 LYS HG2 1.0 0.0 5.0 2252 1312 1 75 LYS HG3 1 73 THR HB 1.0 0.0 5.0 2253 1313 1 73 THR HB 1 75 LYS HDx 1.0 0.0 5.0 2254 1313 1 75 LYS HDy 1 73 THR HB 1.0 0.0 5.0 2255 1314 1 73 THR HB 1 75 LYS HE2 1.0 0.0 5.0 2256 1314 1 75 LYS HE3 1 73 THR HB 1.0 0.0 5.0 2257 1315 1 75 LYS H 1 73 THR HG2% 1.0 0.0 5.0 2258 1316 1 73 THR HG2% 1 75 LYS HBx 1.0 0.0 5.0 2259 1316 1 75 LYS HBy 1 73 THR HG2% 1.0 0.0 5.0 2260 1317 1 73 THR HG2% 1 75 LYS HE2 1.0 0.0 6.0 2261 1317 1 73 THR HG2% 1 75 LYS HE3 1.0 0.0 6.0 2262 1318 1 73 THR HG2% 1 75 LYS HZ% 1.0 0.0 6.0 2263 1319 1 73 THR H 1 76 SER H 1.0 0.0 5.0 2264 1320 1 73 THR H 1 76 SER HBx 1.0 0.0 6.0 2265 1320 1 73 THR H 1 76 SER HBy 1.0 0.0 6.0 2266 1321 1 76 SER H 1 73 THR HG2% 1.0 0.0 5.0 2267 1322 1 73 THR HG2% 1 76 SER HBx 1.0 0.0 5.0 2268 1322 1 76 SER HBy 1 73 THR HG2% 1.0 0.0 5.0 2269 1323 1 79 CYS HA 1 73 THR H 1.0 0.0 6.0 2270 1324 1 79 CYS H 1 73 THR HG2% 1.0 0.0 6.0 2271 1325 1 79 CYS HA 1 73 THR HG2% 1.0 0.0 5.0 2272 1326 1 73 THR H 1 80 PRO HBx 1.0 0.0 6.0 2273 1326 1 73 THR H 1 80 PRO HBy 1.0 0.0 6.0 2274 1327 1 73 THR H 1 80 PRO HGx 1.0 0.0 6.0 2275 1327 1 73 THR H 1 80 PRO HGy 1.0 0.0 6.0 2276 1328 1 73 THR H 1 80 PRO HDx 1.0 0.0 6.0 2277 1328 1 73 THR H 1 80 PRO HDy 1.0 0.0 6.0 2278 1329 1 73 THR HG2% 1 80 PRO HBx 1.0 0.0 4.0 2279 1329 1 73 THR HG2% 1 80 PRO HBy 1.0 0.0 4.0 2280 1330 1 73 THR HG2% 1 80 PRO HGx 1.0 0.0 4.0 2281 1330 1 73 THR HG2% 1 80 PRO HGy 1.0 0.0 4.0 2282 1331 1 73 THR HG2% 1 80 PRO HDx 1.0 0.0 5.0 2283 1331 1 73 THR HG2% 1 80 PRO HDy 1.0 0.0 5.0 2284 1332 1 74 GLY H 1 74 GLY HAx 1.0 0.0 5.0 2285 1332 1 74 GLY H 1 74 GLY HAy 1.0 0.0 5.0 2286 1333 1 74 GLY H 1 75 LYS H 1.0 0.0 4.0 2287 1334 1 75 LYS H 1 74 GLY HAx 1.0 0.0 4.0 2288 1334 1 74 GLY HAy 1 75 LYS H 1.0 0.0 4.0 2289 1335 1 74 GLY H 1 75 LYS HBx 1.0 0.0 6.0 2290 1335 1 74 GLY H 1 75 LYS HBy 1.0 0.0 6.0 2291 1336 1 74 GLY H 1 75 LYS HG2 1.0 0.0 6.0 2292 1336 1 74 GLY H 1 75 LYS HG3 1.0 0.0 6.0 2293 1337 1 76 SER H 1 74 GLY H 1.0 0.0 4.0 2294 1338 1 76 SER H 1 74 GLY HAx 1.0 0.0 5.0 2295 1338 1 76 SER H 1 74 GLY HAy 1.0 0.0 5.0 2296 1339 1 75 LYS H 1 75 LYS HA 1.0 0.0 5.0 2297 1340 1 75 LYS H 1 75 LYS HBx 1.0 0.0 5.0 2298 1340 1 75 LYS H 1 75 LYS HBy 1.0 0.0 5.0 2299 1341 1 75 LYS H 1 75 LYS HG2 1.0 0.0 5.0 2300 1341 1 75 LYS H 1 75 LYS HG3 1.0 0.0 5.0 2301 1342 1 75 LYS H 1 75 LYS HDx 1.0 0.0 6.0 2302 1342 1 75 LYS H 1 75 LYS HDy 1.0 0.0 6.0 2303 1343 1 76 SER H 1 75 LYS H 1.0 0.0 3.0 2304 1344 1 75 LYS H 1 76 SER HA 1.0 0.0 5.0 2305 1345 1 75 LYS H 1 76 SER HBx 1.0 0.0 5.0 2306 1345 1 75 LYS H 1 76 SER HBy 1.0 0.0 5.0 2307 1346 1 76 SER H 1 75 LYS HA 1.0 0.0 4.0 2308 1347 1 76 SER H 1 75 LYS HBx 1.0 0.0 5.0 2309 1347 1 76 SER H 1 75 LYS HBy 1.0 0.0 5.0 2310 1348 1 75 LYS HBy 1 76 SER HBx 1.0 0.0 6.0 2311 1348 1 75 LYS HBx 1 76 SER HBx 1.0 0.0 6.0 2312 1348 1 76 SER HBy 1 75 LYS HBx 1.0 0.0 6.0 2313 1348 1 75 LYS HBy 1 76 SER HBy 1.0 0.0 6.0 2314 1349 1 76 SER H 1 75 LYS HG2 1.0 0.0 5.0 2315 1349 1 76 SER H 1 75 LYS HG3 1.0 0.0 5.0 2316 1350 1 75 LYS HG3 1 76 SER HBx 1.0 0.0 6.0 2317 1350 1 75 LYS HG2 1 76 SER HBx 1.0 0.0 6.0 2318 1350 1 76 SER HBy 1 75 LYS HG2 1.0 0.0 6.0 2319 1350 1 75 LYS HG3 1 76 SER HBy 1.0 0.0 6.0 2320 1351 1 76 SER H 1 75 LYS HZ% 1.0 0.0 6.0 2321 1352 1 77 SER H 1 75 LYS H 1.0 0.0 6.0 2322 1353 1 76 SER H 1 76 SER HA 1.0 0.0 5.0 2323 1354 1 76 SER H 1 76 SER HBx 1.0 0.0 5.0 2324 1354 1 76 SER H 1 76 SER HBy 1.0 0.0 5.0 2325 1355 1 77 SER H 1 76 SER H 1.0 0.0 5.0 2326 1356 1 77 SER H 1 76 SER HA 1.0 0.0 3.0 2327 1357 1 76 SER HA 1 77 SER HBx 1.0 0.0 6.0 2328 1357 1 77 SER HBy 1 76 SER HA 1.0 0.0 6.0 2329 1358 1 77 SER H 1 76 SER HBx 1.0 0.0 4.0 2330 1358 1 77 SER H 1 76 SER HBy 1.0 0.0 4.0 2331 1359 1 76 SER H 1 78 ASP H 1.0 0.0 6.0 2332 1360 1 78 ASP H 1 76 SER HA 1.0 0.0 4.0 2333 1361 1 78 ASP H 1 76 SER HBx 1.0 0.0 4.0 2334 1361 1 78 ASP H 1 76 SER HBy 1.0 0.0 4.0 2335 1362 1 76 SER HBy 1 78 ASP HBx 1.0 0.0 6.0 2336 1362 1 76 SER HBx 1 78 ASP HBx 1.0 0.0 6.0 2337 1362 1 78 ASP HBy 1 76 SER HBx 1.0 0.0 6.0 2338 1362 1 78 ASP HBy 1 76 SER HBy 1.0 0.0 6.0 2339 1363 1 77 SER H 1 77 SER HA 1.0 0.0 5.0 2340 1364 1 77 SER H 1 77 SER HBx 1.0 0.0 5.0 2341 1364 1 77 SER H 1 77 SER HBy 1.0 0.0 5.0 2342 1365 1 77 SER H 1 78 ASP H 1.0 0.0 3.0 2343 1366 1 77 SER H 1 78 ASP HBx 1.0 0.0 5.0 2344 1366 1 77 SER H 1 78 ASP HBy 1.0 0.0 5.0 2345 1367 1 77 SER HA 1 78 ASP H 1.0 0.0 4.0 2346 1368 1 78 ASP H 1 77 SER HBx 1.0 0.0 5.0 2347 1368 1 77 SER HBy 1 78 ASP H 1.0 0.0 5.0 2348 1369 1 78 ASP HA 1 78 ASP H 1.0 0.0 5.0 2349 1370 1 78 ASP H 1 78 ASP HBx 1.0 0.0 5.0 2350 1370 1 78 ASP HBy 1 78 ASP H 1.0 0.0 5.0 2351 1371 1 79 CYS H 1 78 ASP H 1.0 0.0 5.0 2352 1372 1 79 CYS HA 1 78 ASP H 1.0 0.0 6.0 2353 1373 1 78 ASP HA 1 79 CYS H 1.0 0.0 3.0 2354 1374 1 78 ASP HA 1 79 CYS HA 1.0 0.0 5.0 2355 1375 1 78 ASP HA 1 79 CYS HBx 1.0 0.0 5.0 2356 1375 1 78 ASP HA 1 79 CYS HBy 1.0 0.0 5.0 2357 1376 1 79 CYS H 1 78 ASP HBx 1.0 0.0 4.0 2358 1376 1 79 CYS H 1 78 ASP HBy 1.0 0.0 4.0 2359 1377 1 79 CYS HA 1 78 ASP HBx 1.0 0.0 6.0 2360 1377 1 79 CYS HA 1 78 ASP HBy 1.0 0.0 6.0 2361 1378 1 80 PRO HA 1 78 ASP HBx 1.0 0.0 5.0 2362 1378 1 78 ASP HBy 1 80 PRO HA 1.0 0.0 5.0 2363 1379 1 78 ASP HBx 1 80 PRO HDx 1.0 0.0 6.0 2364 1379 1 78 ASP HBy 1 80 PRO HDx 1.0 0.0 6.0 2365 1379 1 80 PRO HDy 1 78 ASP HBx 1.0 0.0 6.0 2366 1379 1 78 ASP HBy 1 80 PRO HDy 1.0 0.0 6.0 2367 1380 1 79 CYS H 1 79 CYS HA 1.0 0.0 5.0 2368 1381 1 79 CYS H 1 79 CYS HBx 1.0 0.0 5.0 2369 1381 1 79 CYS H 1 79 CYS HBy 1.0 0.0 5.0 2370 1382 1 79 CYS H 1 80 PRO HDx 1.0 0.0 5.0 2371 1382 1 79 CYS H 1 80 PRO HDy 1.0 0.0 5.0 2372 1383 1 79 CYS HA 1 80 PRO HA 1.0 0.0 5.0 2373 1384 1 79 CYS HA 1 80 PRO HBx 1.0 0.0 5.0 2374 1384 1 79 CYS HA 1 80 PRO HBy 1.0 0.0 5.0 2375 1385 1 79 CYS HA 1 80 PRO HGx 1.0 0.0 5.0 2376 1385 1 79 CYS HA 1 80 PRO HGy 1.0 0.0 5.0 2377 1386 1 79 CYS HA 1 80 PRO HDx 1.0 0.0 4.0 2378 1386 1 79 CYS HA 1 80 PRO HDy 1.0 0.0 4.0 2379 1387 1 79 CYS HBy 1 80 PRO HDx 1.0 0.0 5.0 2380 1387 1 79 CYS HBx 1 80 PRO HDx 1.0 0.0 5.0 2381 1387 1 80 PRO HDy 1 79 CYS HBx 1.0 0.0 5.0 2382 1387 1 79 CYS HBy 1 80 PRO HDy 1.0 0.0 5.0 2383 1388 1 80 PRO HA 1 81 TRP H 1.0 0.0 3.5 2384 1389 1 80 PRO HA 1 81 TRP HBx 1.0 0.0 5.0 2385 1389 1 80 PRO HA 1 81 TRP HBy 1.0 0.0 5.0 2386 1390 1 80 PRO HA 1 81 TRP HD1 1.0 0.0 4.5 2387 1391 1 80 PRO HA 1 81 TRP HE1 1.0 0.0 6.0 2388 1392 1 81 TRP H 1 80 PRO HBx 1.0 0.0 4.0 2389 1392 1 80 PRO HBy 1 81 TRP H 1.0 0.0 4.0 2390 1393 1 80 PRO HBx 1 81 TRP HBx 1.0 0.0 6.0 2391 1393 1 80 PRO HBy 1 81 TRP HBx 1.0 0.0 6.0 2392 1393 1 81 TRP HBy 1 80 PRO HBx 1.0 0.0 6.0 2393 1393 1 80 PRO HBy 1 81 TRP HBy 1.0 0.0 6.0 2394 1394 1 80 PRO HGx 1 81 TRP HBx 1.0 0.0 6.0 2395 1394 1 81 TRP HBy 1 80 PRO HGx 1.0 0.0 6.0 2396 1394 1 81 TRP HBy 1 80 PRO HGy 1.0 0.0 6.0 2397 1394 1 80 PRO HGy 1 81 TRP HBx 1.0 0.0 6.0 2398 1395 1 81 TRP HD1 1 80 PRO HBx 1.0 0.0 6.0 2399 1395 1 80 PRO HBy 1 81 TRP HD1 1.0 0.0 6.0 2400 1396 1 81 TRP HE1 1 80 PRO HBx 1.0 0.0 6.0 2401 1396 1 80 PRO HBy 1 81 TRP HE1 1.0 0.0 6.0 2402 1397 1 81 TRP H 1 80 PRO HGx 1.0 0.0 5.0 2403 1397 1 81 TRP H 1 80 PRO HGy 1.0 0.0 5.0 2404 1398 1 81 TRP HD1 1 80 PRO HGx 1.0 0.0 6.0 2405 1398 1 81 TRP HD1 1 80 PRO HGy 1.0 0.0 6.0 2406 1399 1 81 TRP H 1 80 PRO HDx 1.0 0.0 6.0 2407 1399 1 81 TRP H 1 80 PRO HDy 1.0 0.0 6.0 2408 1400 1 80 PRO HA 1 82 ASN H 1.0 0.0 5.0 2409 1401 1 82 ASN H 1 80 PRO HBx 1.0 0.0 5.0 2410 1401 1 80 PRO HBy 1 82 ASN H 1.0 0.0 5.0 2411 1402 1 80 PRO HBx 1 82 ASN HD2y 1.0 0.0 6.0 2412 1402 1 80 PRO HBy 1 82 ASN HD2y 1.0 0.0 6.0 2413 1402 1 82 ASN HD2x 1 80 PRO HBx 1.0 0.0 6.0 2414 1402 1 80 PRO HBy 1 82 ASN HD2x 1.0 0.0 6.0 2415 1403 1 82 ASN H 1 80 PRO HGx 1.0 0.0 5.0 2416 1403 1 82 ASN H 1 80 PRO HGy 1.0 0.0 5.0 2417 1404 1 82 ASN H 1 80 PRO HDx 1.0 0.0 6.0 2418 1404 1 82 ASN H 1 80 PRO HDy 1.0 0.0 6.0 2419 1405 1 80 PRO HGx 1 82 ASN HD2y 1.0 0.0 5.0 2420 1405 1 80 PRO HGy 1 82 ASN HD2y 1.0 0.0 5.0 2421 1405 1 82 ASN HD2x 1 80 PRO HGx 1.0 0.0 5.0 2422 1405 1 82 ASN HD2x 1 80 PRO HGy 1.0 0.0 5.0 2423 1406 1 81 TRP H 1 81 TRP HA 1.0 0.0 5.0 2424 1407 1 81 TRP H 1 81 TRP HBx 1.0 0.0 5.0 2425 1407 1 81 TRP H 1 81 TRP HBy 1.0 0.0 5.0 2426 1408 1 81 TRP H 1 81 TRP HD1 1.0 0.0 5.0 2427 1409 1 81 TRP H 1 81 TRP HE1 1.0 0.0 5.0 2428 1410 1 81 TRP H 1 82 ASN H 1.0 0.0 4.0 2429 1411 1 81 TRP HA 1 82 ASN H 1.0 0.0 3.5 2430 1412 1 81 TRP HA 1 82 ASN HB2 1.0 0.0 6.0 2431 1412 1 81 TRP HA 1 82 ASN HB3 1.0 0.0 6.0 2432 1413 1 82 ASN H 1 81 TRP HBx 1.0 0.0 5.0 2433 1413 1 81 TRP HBy 1 82 ASN H 1.0 0.0 5.0 2434 1414 1 81 TRP HD1 1 82 ASN H 1.0 0.0 5.0 2435 1415 1 81 TRP HD1 1 82 ASN HA 1.0 0.0 6.0 2436 1416 1 81 TRP HE1 1 82 ASN H 1.0 0.0 6.0 2437 1417 1 81 TRP HE3 1 82 ASN H 1.0 0.0 6.0 2438 1418 1 83 HIS H 1 81 TRP HBx 1.0 0.0 6.0 2439 1418 1 81 TRP HBy 1 83 HIS H 1.0 0.0 6.0 2440 1419 1 81 TRP HD1 1 83 HIS H 1.0 0.0 6.0 2441 1420 1 81 TRP HE3 1 83 HIS HE1 1.0 0.0 6.0 2442 1421 1 81 TRP HZ2 1 83 HIS HBx 1.0 0.0 6.0 2443 1421 1 81 TRP HZ2 1 83 HIS HBy 1.0 0.0 6.0 2444 1422 1 82 ASN H 1 82 ASN HA 1.0 0.0 5.0 2445 1423 1 82 ASN H 1 82 ASN HB2 1.0 0.0 5.0 2446 1423 1 82 ASN H 1 82 ASN HB3 1.0 0.0 5.0 2447 1424 1 82 ASN H 1 82 ASN HD2y 1.0 0.0 5.0 2448 1424 1 82 ASN H 1 82 ASN HD2x 1.0 0.0 5.0 2449 1425 1 82 ASN H 1 83 HIS H 1.0 0.0 4.0 2450 1426 1 82 ASN H 1 83 HIS HD2 1.0 0.0 6.0 2451 1427 1 83 HIS H 1 82 ASN HA 1.0 0.0 4.0 2452 1428 1 83 HIS HD2 1 82 ASN HA 1.0 0.0 6.0 2453 1429 1 83 HIS H 1 82 ASN HB2 1.0 0.0 5.0 2454 1429 1 83 HIS H 1 82 ASN HB3 1.0 0.0 5.0 2455 1430 1 83 HIS HD2 1 82 ASN HB2 1.0 0.0 5.0 2456 1430 1 83 HIS HD2 1 82 ASN HB3 1.0 0.0 5.0 2457 1431 1 83 HIS HE1 1 82 ASN HB2 1.0 0.0 6.0 2458 1431 1 83 HIS HE1 1 82 ASN HB3 1.0 0.0 6.0 2459 1432 1 83 HIS HA 1 83 HIS H 1.0 0.0 5.0 2460 1433 1 83 HIS H 1 83 HIS HBx 1.0 0.0 5.0 2461 1433 1 83 HIS HBy 1 83 HIS H 1.0 0.0 5.0 2462 1434 1 83 HIS HD2 1 83 HIS H 1.0 0.0 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 1 9 ILE HA 1 16 CYS HA 1.0 0.0 5.0 2 1 1 9 ILE HA 1 12 GLN HA 1.0 0.0 5.0 3 1 1 8 LYS HA 1 9 ILE HA 1.0 0.0 5.0 4 2 1 9 ILE HG2% 1 16 CYS HA 1.0 0.0 5.0 5 2 1 9 ILE HG2% 1 12 GLN HA 1.0 0.0 5.0 6 2 1 8 LYS HA 1 9 ILE HG2% 1.0 0.0 5.0 7 3 1 9 ILE HD1% 1 16 CYS HA 1.0 0.0 5.0 8 3 1 9 ILE HD1% 1 12 GLN HA 1.0 0.0 5.0 9 3 1 8 LYS HA 1 9 ILE HD1% 1.0 0.0 5.0 10 4 1 13 GLY H 1 10 LEU HBx 1.0 0.0 6.0 11 4 1 13 GLY H 1 8 LYS HD2 1.0 0.0 6.0 12 4 1 10 LEU HBy 1 13 GLY H 1.0 0.0 6.0 13 4 1 13 GLY H 1 8 LYS HD3 1.0 0.0 6.0 14 5 1 10 LEU HDy% 1 16 CYS HBy 1.0 0.0 6.0 15 5 1 9 ILE HD1% 1 16 CYS HBy 1.0 0.0 6.0 16 5 1 9 ILE HD1% 1 16 CYS HBx 1.0 0.0 6.0 17 5 1 10 LEU HDy% 1 16 CYS HBx 1.0 0.0 6.0 18 5 1 10 LEU HDx% 1 16 CYS HBx 1.0 0.0 6.0 19 5 1 16 CYS HBy 1 10 LEU HDx% 1.0 0.0 6.0 20 6 1 10 LEU HDy% 1 34 CYS HBx 1.0 0.0 6.0 21 6 1 10 LEU HDy% 1 34 CYS HBy 1.0 0.0 6.0 22 6 1 9 ILE HG2% 1 34 CYS HBy 1.0 0.0 6.0 23 6 1 10 LEU HDx% 1 34 CYS HBx 1.0 0.0 6.0 24 6 1 34 CYS HBy 1 10 LEU HDx% 1.0 0.0 6.0 25 6 1 9 ILE HG2% 1 34 CYS HBx 1.0 0.0 6.0 26 7 1 35 LYS H 1 29 CYS HA 1.0 0.0 5.0 27 7 1 15 ASP HA 1 35 LYS H 1.0 0.0 5.0 28 8 1 35 LYS H 1 16 CYS HBx 1.0 0.0 6.0 29 8 1 35 LYS H 1 29 CYS HBx 1.0 0.0 6.0 30 8 1 35 LYS H 1 29 CYS HBy 1.0 0.0 6.0 31 8 1 16 CYS HBy 1 35 LYS H 1.0 0.0 6.0 32 9 1 36 LEU H 1 29 CYS HA 1.0 0.0 5.0 33 9 1 15 ASP HA 1 36 LEU H 1.0 0.0 5.0 34 10 1 27 ARG HA 1 51 CYS HBx 1.0 0.0 6.0 35 10 1 52 ARG HA 1 51 CYS HBx 1.0 0.0 6.0 36 10 1 51 CYS HBy 1 52 ARG HA 1.0 0.0 6.0 37 10 1 27 ARG HA 1 51 CYS HBy 1.0 0.0 6.0 38 11 1 49 ASP HA 1 54 LYS HEx 1.0 0.0 6.0 39 11 1 72 CYS HA 1 54 LYS HEx 1.0 0.0 6.0 40 11 1 54 LYS HEy 1 72 CYS HA 1.0 0.0 6.0 41 11 1 54 LYS HEy 1 49 ASP HA 1.0 0.0 6.0 42 12 1 60 CYS HA 1 54 LYS HZ% 1.0 0.0 6.0 43 12 1 53 PHE HA 1 54 LYS HZ% 1.0 0.0 6.0 44 13 1 56 ALA HA 1 55 LYS HBx 1.0 0.0 6.0 45 13 1 56 ALA HA 1 55 LYS HD2 1.0 0.0 6.0 46 13 1 56 ALA HA 1 55 LYS HD3 1.0 0.0 6.0 47 13 1 56 ALA HA 1 55 LYS HBy 1.0 0.0 6.0 48 14 1 56 ALA HB% 1 55 LYS HD2 1.0 0.0 6.0 49 14 1 56 ALA HB% 1 55 LYS HBx 1.0 0.0 6.0 50 14 1 55 LYS HD3 1 56 ALA HB% 1.0 0.0 6.0 51 14 1 55 LYS HBy 1 56 ALA HB% 1.0 0.0 6.0 52 15 1 56 ALA HB% 1 75 LYS HZ% 1.0 0.0 6.0 53 15 1 56 ALA HB% 1 55 LYS HZ% 1.0 0.0 6.0 54 16 1 57 GLY H 1 74 GLY HAx 1.0 0.0 6.0 55 16 1 74 GLY HAy 1 57 GLY H 1.0 0.0 6.0 56 16 1 57 GLY H 1 73 THR HA 1.0 0.0 6.0 57 17 1 58 THR H 1 74 GLY HAx 1.0 0.0 6.0 58 17 1 74 GLY HAy 1 58 THR H 1.0 0.0 6.0 59 17 1 58 THR H 1 73 THR HA 1.0 0.0 6.0 60 18 1 59 VAL H 1 71 TYR H 1.0 0.0 6.0 61 18 1 57 GLY H 1 59 VAL H 1.0 0.0 6.0 62 19 1 69 ASP HA 1 67 TRP HD1 1.0 0.0 6.0 63 19 1 66 ASP HA 1 67 TRP HD1 1.0 0.0 6.0 64 20 1 69 ASP HA 1 67 TRP HE1 1.0 0.0 6.0 65 20 1 66 ASP HA 1 67 TRP HE1 1.0 0.0 6.0 66 21 1 69 ASP HA 1 67 TRP HZ2 1.0 0.0 6.0 67 21 1 66 ASP HA 1 67 TRP HZ2 1.0 0.0 6.0 68 22 1 69 ASP HA 1 67 TRP HE3 1.0 0.0 6.0 69 22 1 66 ASP HA 1 67 TRP HE3 1.0 0.0 6.0 70 23 1 70 ASP HA 1 82 ASN HB2 1.0 0.0 6.0 71 23 1 70 ASP HA 1 69 ASP HBx 1.0 0.0 6.0 72 23 1 70 ASP HA 1 82 ASN HB3 1.0 0.0 6.0 73 23 1 69 ASP HBy 1 70 ASP HA 1.0 0.0 6.0 74 24 1 73 THR H 1 53 PHE HBx 1.0 0.0 6.0 75 24 1 73 THR H 1 71 TYR HB2 1.0 0.0 6.0 76 24 1 73 THR H 1 71 TYR HB3 1.0 0.0 6.0 77 24 1 53 PHE HBy 1 73 THR H 1.0 0.0 6.0 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 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 1 37 THR H 1 28 CYS O 1.0 0.0 2.3 2 2 1 28 CYS O 1 37 THR N 1.0 2.5 3.3 3 3 1 35 LYS H 1 30 ASN O 1.0 0.0 2.3 4 4 1 30 ASN O 1 35 LYS N 1.0 2.5 3.3 5 5 1 30 ASN H 1 35 LYS O 1.0 0.0 2.3 6 6 1 35 LYS O 1 30 ASN N 1.0 2.5 3.3 7 7 1 40 SER H 1 37 THR O 1.0 0.0 2.3 8 8 1 37 THR O 1 40 SER N 1.0 2.5 3.3 9 9 1 48 CYS H 1 45 GLY O 1.0 0.0 2.3 10 10 1 45 GLY O 1 48 CYS N 1.0 2.5 3.3 11 11 1 54 LYS H 1 47 CYS O 1.0 0.0 2.3 12 12 1 47 CYS O 1 54 LYS N 1.0 2.5 3.3 13 13 1 52 ARG H 1 49 ASP O 1.0 0.0 2.3 14 14 1 49 ASP O 1 52 ARG N 1.0 2.5 3.3 15 15 1 41 GLN H 1 51 CYS O 1.0 0.0 2.3 16 16 1 51 CYS O 1 41 GLN N 1.0 2.5 3.3 17 17 1 49 ASP H 1 52 ARG O 1.0 0.0 2.3 18 18 1 52 ARG O 1 49 ASP N 1.0 2.5 3.3 19 19 1 58 THR H 1 55 LYS O 1.0 0.0 2.3 20 20 1 55 LYS O 1 58 THR N 1.0 2.5 3.3 21 21 1 72 CYS H 1 58 THR O 1.0 0.0 2.3 22 22 1 58 THR O 1 72 CYS N 1.0 2.5 3.3 23 23 1 60 CYS H 1 70 ASP O 1.0 0.0 2.3 24 24 1 70 ASP O 1 60 CYS N 1.0 2.5 3.3 25 25 1 57 GLY H 1 72 CYS O 1.0 0.0 2.3 26 26 1 72 CYS O 1 57 GLY N 1.0 2.5 3.3 27 27 1 47 CYS H 1 77 SER O 1.0 0.0 2.3 28 28 1 77 SER O 1 47 CYS N 1.0 2.5 3.3 29 29 1 71 TYR H 1 80 PRO O 1.0 0.0 2.3 30 30 1 80 PRO O 1 71 TYR N 1.0 2.5 3.3 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 1 1 SER C 1 2 PRO N 1 2 PRO CA 1 2 PRO C 1.0 -88.7 -48.7 PHI 2 2 1 2 PRO N 1 2 PRO CA 1 2 PRO C 1 3 PRO N 1.0 132.3 172.3 PSI 3 3 1 2 PRO C 1 3 PRO N 1 3 PRO CA 1 3 PRO C 1.0 -87.2 -47.2 PHI 4 4 1 3 PRO N 1 3 PRO CA 1 3 PRO C 1 4 VAL N 1.0 130.0 170.0 PSI 5 5 1 3 PRO C 1 4 VAL N 1 4 VAL CA 1 4 VAL C 1.0 -150.0 -52.0 PHI 6 6 1 4 VAL N 1 4 VAL CA 1 4 VAL C 1 5 CYS N 1.0 90.3 173.5 PSI 7 7 1 4 VAL C 1 5 CYS N 1 5 CYS CA 1 5 CYS C 1.0 -184.5 -69.5 PHI 8 8 1 5 CYS N 1 5 CYS CA 1 5 CYS C 1 6 GLY N 1.0 98.1 209.5 PSI 9 9 1 19 GLY C 1 20 SER N 1 20 SER CA 1 20 SER C 1.0 -97.4 -52.4 PHI 10 10 1 20 SER N 1 20 SER CA 1 20 SER C 1 21 PRO N 1.0 91.6 148.6 PSI 11 11 1 20 SER C 1 21 PRO N 1 21 PRO CA 1 21 PRO C 1.0 -77.8 -37.8 PHI 12 12 1 21 PRO N 1 21 PRO CA 1 21 PRO C 1 22 ALA N 1.0 -49.7 -9.7 PSI 13 13 1 21 PRO C 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1.0 -94.7 -46.3 PHI 14 14 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 ASN N 1.0 -41.4 3.6 PSI 15 15 1 29 CYS C 1 30 ASN N 1 30 ASN CA 1 30 ASN C 1.0 -112.8 -53.8 PHI 16 16 1 30 ASN N 1 30 ASN CA 1 30 ASN C 1 31 ALA N 1.0 77.1 155.7 PSI 17 17 1 30 ASN C 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1.0 -80.3 -40.3 PHI 18 18 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1 32 ALA N 1.0 -50.9 -2.7 PSI 19 19 1 31 ALA C 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1.0 -102.3 -45.3 PHI 20 20 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 THR N 1.0 -63.9 12.7 PSI 21 21 1 32 ALA C 1 33 THR N 1 33 THR CA 1 33 THR C 1.0 -139.3 -92.1 PHI 22 22 1 33 THR N 1 33 THR CA 1 33 THR C 1 34 CYS N 1.0 -37.1 22.1 PSI 23 23 1 34 CYS C 1 35 LYS N 1 35 LYS CA 1 35 LYS C 1.0 -178.3 -107.5 PHI 24 24 1 35 LYS N 1 35 LYS CA 1 35 LYS C 1 36 LEU N 1.0 139.6 180.0 PSI 25 25 1 35 LYS C 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1.0 -174.3 -40.9 PHI 26 26 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 THR N 1.0 106.6 186.6 PSI 27 27 1 36 LEU C 1 37 THR N 1 37 THR CA 1 37 THR C 1.0 -134.7 -52.3 PHI 28 28 1 37 THR N 1 37 THR CA 1 37 THR C 1 38 PRO N 1.0 65.6 196.2 PSI 29 29 1 37 THR C 1 38 PRO N 1 38 PRO CA 1 38 PRO C 1.0 -78.0 -38.0 PHI 30 30 1 38 PRO N 1 38 PRO CA 1 38 PRO C 1 39 GLY N 1.0 117.1 157.1 PSI 31 31 1 40 SER C 1 41 GLN N 1 41 GLN CA 1 41 GLN C 1.0 -117.5 -72.9 PHI 32 32 1 41 GLN N 1 41 GLN CA 1 41 GLN C 1 42 CYS N 1.0 -67.8 17.2 PSI 33 33 1 41 GLN C 1 42 CYS N 1 42 CYS CA 1 42 CYS C 1.0 -168.7 -99.7 PHI 34 34 1 42 CYS N 1 42 CYS CA 1 42 CYS C 1 43 ASN N 1.0 133.5 191.9 PSI 35 35 1 42 CYS C 1 43 ASN N 1 43 ASN CA 1 43 ASN C 1.0 -121.4 -71.0 PHI 36 36 1 43 ASN N 1 43 ASN CA 1 43 ASN C 1 44 TYR N 1.0 -45.7 31.5 PSI 37 37 1 43 ASN C 1 44 TYR N 1 44 TYR CA 1 44 TYR C 1.0 -181.7 -74.1 PHI 38 38 1 44 TYR N 1 44 TYR CA 1 44 TYR C 1 45 GLY N 1.0 96.9 185.5 PSI 39 39 1 45 GLY C 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1.0 -82.7 -42.7 PHI 40 40 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 CYS N 1.0 -45.8 -5.8 PSI 41 41 1 46 GLU C 1 47 CYS N 1 47 CYS CA 1 47 CYS C 1.0 -125.6 -54.2 PHI 42 42 1 47 CYS N 1 47 CYS CA 1 47 CYS C 1 48 CYS N 1.0 -33.4 37.6 PSI 43 43 1 47 CYS C 1 48 CYS N 1 48 CYS CA 1 48 CYS C 1.0 -153.6 -60.8 PHI 44 44 1 48 CYS N 1 48 CYS CA 1 48 CYS C 1 49 ASP N 1.0 101.7 167.9 PSI 45 45 1 48 CYS C 1 49 ASP N 1 49 ASP CA 1 49 ASP C 1.0 -182.6 -60.0 PHI 46 46 1 49 ASP N 1 49 ASP CA 1 49 ASP C 1 50 GLN N 1.0 103.9 143.9 PSI 47 47 1 51 CYS C 1 52 ARG N 1 52 ARG CA 1 52 ARG C 1.0 -160.7 -62.9 PHI 48 48 1 52 ARG N 1 52 ARG CA 1 52 ARG C 1 53 PHE N 1.0 105.1 184.7 PSI 49 49 1 52 ARG C 1 53 PHE N 1 53 PHE CA 1 53 PHE C 1.0 -124.8 -51.6 PHI 50 50 1 53 PHE N 1 53 PHE CA 1 53 PHE C 1 54 LYS N 1.0 81.6 168.4 PSI 51 51 1 56 ALA C 1 57 GLY N 1 57 GLY CA 1 57 GLY C 1.0 66.4 116.2 PHI 52 52 1 57 GLY N 1 57 GLY CA 1 57 GLY C 1 58 THR N 1.0 -30.4 17.8 PSI 53 53 1 57 GLY C 1 58 THR N 1 58 THR CA 1 58 THR C 1.0 -109.1 -45.9 PHI 54 54 1 58 THR N 1 58 THR CA 1 58 THR C 1 59 VAL N 1.0 105.8 145.8 PSI 55 55 1 58 THR C 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1.0 -111.0 -45.4 PHI 56 56 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1 60 CYS N 1.0 93.9 162.7 PSI 57 57 1 60 CYS C 1 61 ARG N 1 61 ARG CA 1 61 ARG C 1.0 -152.7 -46.7 PHI 58 58 1 61 ARG N 1 61 ARG CA 1 61 ARG C 1 62 ILE N 1.0 96.8 181.6 PSI 59 59 1 62 ILE N 1 62 ILE CA 1 62 ILE C 1 63 ALA N 1.0 100.4 158.8 PSI 60 60 1 63 ALA C 1 64 ARG N 1 64 ARG CA 1 64 ARG C 1.0 -141.0 -20.8 PHI 61 61 1 64 ARG N 1 64 ARG CA 1 64 ARG C 1 65 GLY N 1.0 87.1 172.3 PSI 62 62 1 66 ASP C 1 67 TRP N 1 67 TRP CA 1 67 TRP C 1.0 -120.1 -44.9 PHI 63 63 1 67 TRP N 1 67 TRP CA 1 67 TRP C 1 68 ASN N 1.0 -68.6 37.8 PSI 64 64 1 67 TRP C 1 68 ASN N 1 68 ASN CA 1 68 ASN C 1.0 -118.1 -50.5 PHI 65 65 1 68 ASN N 1 68 ASN CA 1 68 ASN C 1 69 ASP N 1.0 -58.4 40.4 PSI 66 66 1 69 ASP C 1 70 ASP N 1 70 ASP CA 1 70 ASP C 1.0 -143.2 -70.8 PHI 67 67 1 70 ASP N 1 70 ASP CA 1 70 ASP C 1 71 TYR N 1.0 106.9 190.1 PSI 68 68 1 70 ASP C 1 71 TYR N 1 71 TYR CA 1 71 TYR C 1.0 -151.6 -92.0 PHI 69 69 1 71 TYR N 1 71 TYR CA 1 71 TYR C 1 72 CYS N 1.0 108.2 183.4 PSI 70 70 1 72 CYS C 1 73 THR N 1 73 THR CA 1 73 THR C 1.0 -155.5 -70.1 PHI 71 71 1 73 THR N 1 73 THR CA 1 73 THR C 1 74 GLY N 1.0 -25.1 36.9 PSI 72 72 1 73 THR C 1 74 GLY N 1 74 GLY CA 1 74 GLY C 1.0 43.9 94.9 PHI 73 73 1 74 GLY N 1 74 GLY CA 1 74 GLY C 1 75 LYS N 1.0 -6.7 58.1 PSI 74 74 1 74 GLY C 1 75 LYS N 1 75 LYS CA 1 75 LYS C 1.0 -149.3 -57.7 PHI 75 75 1 75 LYS N 1 75 LYS CA 1 75 LYS C 1 76 SER N 1.0 -62.6 53.4 PSI 76 76 1 76 SER C 1 77 SER N 1 77 SER CA 1 77 SER C 1.0 -97.9 -56.7 PHI 77 77 1 77 SER N 1 77 SER CA 1 77 SER C 1 78 ASP N 1.0 -60.9 10.3 PSI 78 78 1 78 ASP C 1 79 CYS N 1 79 CYS CA 1 79 CYS C 1.0 -130.8 -42.2 PHI 79 79 1 79 CYS N 1 79 CYS CA 1 79 CYS C 1 80 PRO N 1.0 89.2 183.2 PSI 80 80 1 79 CYS C 1 80 PRO N 1 80 PRO CA 1 80 PRO C 1.0 -86.8 -46.8 PHI 81 81 1 80 PRO N 1 80 PRO CA 1 80 PRO C 1 81 TRP N 1.0 129.1 169.1 PSI stop_ save_