data_nef_c25762_2n6f 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 PDB 2N6F 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 15 CYS SG 1 44 CYS SG 1 23 CYS SG 1 53 CYS SG 1 30 CYS SG 1 57 CYS SG 1 67 CYS SG 1 99 CYS SG 1 77 CYS SG 1 109 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 LYS middle . . 3 A 3 LYS middle . . 4 A 4 GLU middle . . 5 A 5 LYS middle . . 6 A 6 PRO middle . false 7 A 7 GLU middle . . 8 A 8 LYS middle . . 9 A 9 LYS middle . . 10 A 10 VAL middle . . 11 A 11 LYS middle . . 12 A 12 LYS middle . . 13 A 13 SER middle . . 14 A 14 ASP middle . . 15 A 15 CYS middle -HG . 16 A 16 GLY middle . false 17 A 17 GLU middle . . 18 A 18 TRP middle . . 19 A 19 GLN middle . . 20 A 20 TRP middle . . 21 A 21 SER middle . . 22 A 22 VAL middle . . 23 A 23 CYS middle -HG . 24 A 24 VAL middle . . 25 A 25 PRO middle . false 26 A 26 THR middle . . 27 A 27 SER middle . . 28 A 28 GLY middle . false 29 A 29 ASP middle . . 30 A 30 CYS middle -HG . 31 A 31 GLY middle . false 32 A 32 LEU middle . . 33 A 33 GLY middle . false 34 A 34 THR middle . . 35 A 35 ARG middle . . 36 A 36 GLU middle . . 37 A 37 GLY middle . false 38 A 38 THR middle . . 39 A 39 ARG middle . . 40 A 40 THR middle . . 41 A 41 GLY middle . false 42 A 42 ALA middle . . 43 A 43 GLU middle . . 44 A 44 CYS middle -HG . 45 A 45 LYS middle . . 46 A 46 GLN middle . . 47 A 47 THR middle . . 48 A 48 MET middle . . 49 A 49 LYS middle . . 50 A 50 THR middle . . 51 A 51 GLN middle . . 52 A 52 ARG middle . . 53 A 53 CYS middle -HG . 54 A 54 LYS middle . . 55 A 55 ILE middle . . 56 A 56 PRO middle . false 57 A 57 CYS middle -HG . 58 A 58 ASN middle . . 59 A 59 TRP middle . . 60 A 60 LYS middle . . 61 A 61 LYS middle . . 62 A 62 GLN middle . . 63 A 63 PHE middle . . 64 A 64 GLY middle . false 65 A 65 ALA middle . . 66 A 66 GLU middle . . 67 A 67 CYS middle -HG . 68 A 68 LYS middle . . 69 A 69 TYR middle . . 70 A 70 GLN middle . . 71 A 71 PHE middle . . 72 A 72 GLN middle . . 73 A 73 ALA middle . . 74 A 74 TRP middle . . 75 A 75 GLY middle . false 76 A 76 GLU middle . . 77 A 77 CYS middle -HG . 78 A 78 ASP middle . . 79 A 79 LEU middle . . 80 A 80 ASN middle . . 81 A 81 THR middle . . 82 A 82 ALA middle . . 83 A 83 LEU middle . . 84 A 84 LYS middle . . 85 A 85 THR middle . . 86 A 86 ARG middle . . 87 A 87 THR middle . . 88 A 88 GLY middle . false 89 A 89 SER middle . . 90 A 90 LEU middle . . 91 A 91 LYS middle . . 92 A 92 ARG middle . . 93 A 93 ALA middle . . 94 A 94 LEU middle . . 95 A 95 HIS middle . . 96 A 96 ASN middle . . 97 A 97 ALA middle . . 98 A 98 GLU middle . . 99 A 99 CYS middle -HG . 100 A 100 GLN middle . . 101 A 101 LYS middle . . 102 A 102 THR middle . . 103 A 103 VAL middle . . 104 A 104 THR middle . . 105 A 105 ILE middle . . 106 A 106 SER middle . . 107 A 107 LYS middle . . 108 A 108 PRO middle . false 109 A 109 CYS middle -HG . 110 A 110 GLY middle . false 111 A 111 LYS middle . . 112 A 112 LEU middle . . 113 A 113 THR middle . . 114 A 114 LYS middle . . 115 A 115 PRO middle . false 116 A 116 LYS middle . . 117 A 117 PRO middle . false 118 A 118 GLN middle . . 119 A 119 ALA middle . . 120 A 120 GLU middle . . 121 A 121 SER middle . . 122 A 122 LYS middle . . 123 A 123 LYS middle . . 124 A 124 LYS middle . . 125 A 125 LYS middle . . 126 A 126 LYS middle . . 127 A 127 GLU middle . . 128 A 128 GLY middle . false 129 A 129 LYS middle . . 130 A 130 LYS middle . . 131 A 131 GLN middle . . 132 A 132 GLU middle . . 133 A 133 LYS middle . . 134 A 134 MET middle . . 135 A 135 LEU middle . . 136 A 136 ASP end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY C C 13 173.9470 0.5 A 2 LYS H H 1 8.2290 0.04 A 2 LYS CA C 13 56.2980 0.5 A 2 LYS CB C 13 33.3840 0.5 A 2 LYS N N 15 121.7400 0.5 A 6 PRO HA H 1 4.4000 0.04 A 6 PRO HBx H 1 2.2800 0.04 A 6 PRO HDx H 1 3.6800 0.04 A 6 PRO HGy H 1 2.0000 0.04 A 6 PRO HGx H 1 1.9400 0.04 A 6 PRO C C 13 176.9640 0.5 A 6 PRO CA C 13 63.2000 0.5 A 6 PRO CB C 13 32.1000 0.5 A 6 PRO CD C 13 50.7000 0.5 A 6 PRO CG C 13 27.3000 0.5 A 7 GLU H H 1 8.5510 0.04 A 7 GLU HA H 1 4.2600 0.04 A 7 GLU HBx H 1 2.0000 0.04 A 7 GLU HGx H 1 2.2600 0.04 A 7 GLU C C 13 176.2260 0.5 A 7 GLU CA C 13 56.4930 0.5 A 7 GLU CB C 13 30.6100 0.5 A 7 GLU CG C 13 36.2000 0.5 A 7 GLU N N 15 122.2850 0.5 A 8 LYS H H 1 8.3460 0.04 A 8 LYS HA H 1 4.3100 0.04 A 8 LYS HBx H 1 1.7600 0.04 A 8 LYS HEx H 1 3.0000 0.04 A 8 LYS HGx H 1 1.4100 0.04 A 8 LYS C C 13 176.5410 0.5 A 8 LYS CA C 13 56.4400 0.5 A 8 LYS CB C 13 33.1950 0.5 A 8 LYS CD C 13 29.2000 0.5 A 8 LYS CE C 13 42.0000 0.5 A 8 LYS CG C 13 24.8000 0.5 A 8 LYS N N 15 122.5720 0.5 A 9 LYS H H 1 8.5050 0.04 A 9 LYS HA H 1 4.3300 0.04 A 9 LYS HBx H 1 1.7400 0.04 A 9 LYS HEx H 1 2.9800 0.04 A 9 LYS HGx H 1 1.4000 0.04 A 9 LYS C C 13 176.3900 0.5 A 9 LYS CA C 13 56.5370 0.5 A 9 LYS CB C 13 33.1600 0.5 A 9 LYS CD C 13 28.9000 0.5 A 9 LYS CE C 13 42.1000 0.5 A 9 LYS CG C 13 24.7000 0.5 A 9 LYS N N 15 123.8430 0.5 A 10 VAL H H 1 8.2060 0.04 A 10 VAL HA H 1 4.0800 0.04 A 10 VAL HB H 1 2.0100 0.04 A 10 VAL HGx% H 1 0.9000 0.04 A 10 VAL HGy% H 1 0.9000 0.04 A 10 VAL C C 13 175.8870 0.5 A 10 VAL CA C 13 62.1590 0.5 A 10 VAL CB C 13 33.0800 0.5 A 10 VAL CGx C 13 20.9000 0.5 A 10 VAL CGy C 13 20.9000 0.5 A 10 VAL N N 15 123.0430 0.5 A 11 LYS H H 1 8.4330 0.04 A 11 LYS HA H 1 4.3200 0.04 A 11 LYS HBx H 1 1.7400 0.04 A 11 LYS HEx H 1 2.9700 0.04 A 11 LYS HGx H 1 1.4000 0.04 A 11 LYS C C 13 176.2570 0.5 A 11 LYS CA C 13 56.0850 0.5 A 11 LYS CB C 13 33.3200 0.5 A 11 LYS CD C 13 28.9000 0.5 A 11 LYS CE C 13 42.0000 0.5 A 11 LYS CG C 13 24.6000 0.5 A 11 LYS N N 15 126.9520 0.5 A 12 LYS H H 1 8.4460 0.04 A 12 LYS HA H 1 4.2600 0.04 A 12 LYS HBx H 1 1.7500 0.04 A 12 LYS HEx H 1 2.9800 0.04 A 12 LYS HGx H 1 1.4100 0.04 A 12 LYS C C 13 176.3060 0.5 A 12 LYS CA C 13 56.6050 0.5 A 12 LYS CB C 13 33.4430 0.5 A 12 LYS CD C 13 28.9000 0.5 A 12 LYS CE C 13 42.1000 0.5 A 12 LYS CG C 13 24.5000 0.5 A 12 LYS N N 15 125.0230 0.5 A 13 SER H H 1 8.3530 0.04 A 13 SER HA H 1 4.4600 0.04 A 13 SER HBx H 1 3.8400 0.04 A 13 SER C C 13 174.4560 0.5 A 13 SER CA C 13 57.9500 0.5 A 13 SER CB C 13 64.0480 0.5 A 13 SER N N 15 117.8360 0.5 A 14 ASP H H 1 8.4790 0.04 A 14 ASP HA H 1 4.5700 0.04 A 14 ASP HBx H 1 2.6000 0.04 A 14 ASP C C 13 175.5590 0.5 A 14 ASP CA C 13 54.0450 0.5 A 14 ASP CB C 13 41.0370 0.5 A 14 ASP N N 15 124.2560 0.5 A 15 CYS H H 1 7.9010 0.04 A 15 CYS HA H 1 4.6500 0.04 A 15 CYS HBx H 1 2.6400 0.04 A 15 CYS C C 13 175.3540 0.5 A 15 CYS CA C 13 55.4130 0.5 A 15 CYS CB C 13 43.4970 0.5 A 15 CYS N N 15 117.9540 0.5 A 16 GLY H H 1 8.4470 0.04 A 16 GLY HAx H 1 3.8000 0.04 A 16 GLY C C 13 172.3000 0.5 A 16 GLY CA C 13 44.2240 0.5 A 16 GLY N N 15 112.6940 0.5 A 17 GLU H H 1 8.2500 0.04 A 17 GLU HA H 1 4.0900 0.04 A 17 GLU HBx H 1 1.8300 0.04 A 17 GLU HBy H 1 2.0200 0.04 A 17 GLU HGx H 1 2.3700 0.04 A 17 GLU C C 13 177.5710 0.5 A 17 GLU CA C 13 55.9000 0.5 A 17 GLU CB C 13 30.5000 0.5 A 17 GLU CG C 13 36.2000 0.5 A 17 GLU N N 15 118.5000 0.5 A 18 TRP H H 1 8.3190 0.04 A 18 TRP HA H 1 4.0400 0.04 A 18 TRP HBy H 1 2.8800 0.04 A 18 TRP HBx H 1 2.8600 0.04 A 18 TRP HD1 H 1 7.4400 0.04 A 18 TRP HE1 H 1 10.1000 0.04 A 18 TRP HE3 H 1 6.4100 0.04 A 18 TRP HH2 H 1 6.5000 0.04 A 18 TRP HZ2 H 1 7.2700 0.04 A 18 TRP HZ3 H 1 6.4800 0.04 A 18 TRP C C 13 176.3100 0.5 A 18 TRP CA C 13 58.5150 0.5 A 18 TRP CB C 13 30.3650 0.5 A 18 TRP CD1 C 13 128.0000 0.5 A 18 TRP CE3 C 13 121.6000 0.5 A 18 TRP CH2 C 13 123.5000 0.5 A 18 TRP CZ2 C 13 114.2000 0.5 A 18 TRP CZ3 C 13 118.9000 0.5 A 18 TRP N N 15 122.7180 0.5 A 18 TRP NE1 N 15 128.6000 0.5 A 19 GLN H H 1 9.1400 0.04 A 19 GLN HA H 1 4.5300 0.04 A 19 GLN HBx H 1 2.0600 0.04 A 19 GLN HGx H 1 2.3400 0.04 A 19 GLN C C 13 175.5710 0.5 A 19 GLN CA C 13 54.1860 0.5 A 19 GLN CB C 13 29.8970 0.5 A 19 GLN CG C 13 33.6000 0.5 A 19 GLN N N 15 123.3050 0.5 A 20 TRP H H 1 8.7830 0.04 A 20 TRP HA H 1 5.2900 0.04 A 20 TRP HBy H 1 3.2400 0.04 A 20 TRP HBx H 1 3.0000 0.04 A 20 TRP HD1 H 1 7.2100 0.04 A 20 TRP HE1 H 1 9.9500 0.04 A 20 TRP HE3 H 1 7.0200 0.04 A 20 TRP HH2 H 1 6.0300 0.04 A 20 TRP HZ2 H 1 6.6900 0.04 A 20 TRP HZ3 H 1 6.5100 0.04 A 20 TRP C C 13 177.5960 0.5 A 20 TRP CA C 13 56.6510 0.5 A 20 TRP CB C 13 32.7200 0.5 A 20 TRP CD1 C 13 127.5000 0.5 A 20 TRP CE3 C 13 119.1000 0.5 A 20 TRP CH2 C 13 122.7000 0.5 A 20 TRP CZ2 C 13 113.9000 0.5 A 20 TRP CZ3 C 13 120.8000 0.5 A 20 TRP N N 15 125.3110 0.5 A 20 TRP NE1 N 15 129.0000 0.5 A 21 SER H H 1 9.1730 0.04 A 21 SER HA H 1 4.4400 0.04 A 21 SER HBx H 1 4.2200 0.04 A 21 SER C C 13 173.7950 0.5 A 21 SER CA C 13 57.2920 0.5 A 21 SER CB C 13 65.4350 0.5 A 21 SER N N 15 120.0410 0.5 A 22 VAL H H 1 8.0990 0.04 A 22 VAL HA H 1 4.1300 0.04 A 22 VAL HB H 1 2.2000 0.04 A 22 VAL HGy% H 1 0.9700 0.04 A 22 VAL C C 13 175.1830 0.5 A 22 VAL CA C 13 62.0080 0.5 A 22 VAL CB C 13 32.8590 0.5 A 22 VAL CGy C 13 21.0000 0.5 A 22 VAL N N 15 115.3360 0.5 A 23 CYS H H 1 8.4330 0.04 A 23 CYS HA H 1 4.3300 0.04 A 23 CYS HBx H 1 2.8400 0.04 A 23 CYS C C 13 173.3350 0.5 A 23 CYS CA C 13 56.5980 0.5 A 23 CYS CB C 13 42.1660 0.5 A 23 CYS N N 15 122.1540 0.5 A 24 VAL H H 1 8.7900 0.04 A 24 VAL HA H 1 4.2600 0.04 A 24 VAL HB H 1 1.7900 0.04 A 24 VAL HGx% H 1 0.8400 0.04 A 24 VAL CA C 13 59.4090 0.5 A 24 VAL CB C 13 33.5720 0.5 A 24 VAL N N 15 133.0080 0.5 A 25 PRO HA H 1 4.3800 0.04 A 25 PRO HBx H 1 1.6000 0.04 A 25 PRO C C 13 176.8530 0.5 A 25 PRO CA C 13 62.7000 0.5 A 25 PRO CB C 13 31.6000 0.5 A 25 PRO CG C 13 27.1000 0.5 A 26 THR H H 1 9.1990 0.04 A 26 THR HA H 1 3.9700 0.04 A 26 THR HB H 1 3.9700 0.04 A 26 THR HG2% H 1 1.2400 0.04 A 26 THR C C 13 174.8910 0.5 A 26 THR CA C 13 65.5980 0.5 A 26 THR CB C 13 69.1360 0.5 A 26 THR CG2 C 13 22.4000 0.5 A 26 THR N N 15 121.7290 0.5 A 27 SER H H 1 8.6760 0.04 A 27 SER HA H 1 4.5900 0.04 A 27 SER HBy H 1 3.7700 0.04 A 27 SER HBx H 1 3.7200 0.04 A 27 SER C C 13 173.7000 0.5 A 27 SER CA C 13 57.3260 0.5 A 27 SER CB C 13 64.7490 0.5 A 27 SER N N 15 115.4950 0.5 A 28 GLY H H 1 8.4820 0.04 A 28 GLY HAx H 1 3.7400 0.04 A 28 GLY HAy H 1 4.0900 0.04 A 28 GLY C C 13 173.8030 0.5 A 28 GLY CA C 13 45.9650 0.5 A 28 GLY N N 15 111.4920 0.5 A 29 ASP H H 1 8.4120 0.04 A 29 ASP HA H 1 4.7500 0.04 A 29 ASP HBx H 1 2.6200 0.04 A 29 ASP HBy H 1 2.7900 0.04 A 29 ASP C C 13 175.8060 0.5 A 29 ASP CA C 13 53.4760 0.5 A 29 ASP CB C 13 42.1400 0.5 A 29 ASP N N 15 118.8930 0.5 A 30 CYS H H 1 7.9830 0.04 A 30 CYS HA H 1 3.8400 0.04 A 30 CYS HBx H 1 2.8700 0.04 A 30 CYS C C 13 170.7670 0.5 A 30 CYS CA C 13 56.0600 0.5 A 30 CYS CB C 13 47.9000 0.5 A 30 CYS N N 15 113.9370 0.5 A 31 GLY H H 1 9.3760 0.04 A 31 GLY HAx H 1 3.7400 0.04 A 31 GLY HAy H 1 4.5900 0.04 A 31 GLY C C 13 173.8040 0.5 A 31 GLY CA C 13 44.0430 0.5 A 31 GLY N N 15 110.9720 0.5 A 32 LEU H H 1 8.4930 0.04 A 32 LEU HA H 1 4.4400 0.04 A 32 LEU HBx H 1 1.7400 0.04 A 32 LEU HDx% H 1 0.9100 0.04 A 32 LEU HDy% H 1 0.8400 0.04 A 32 LEU C C 13 177.8020 0.5 A 32 LEU CA C 13 55.9040 0.5 A 32 LEU CB C 13 42.8250 0.5 A 32 LEU CDx C 13 23.6000 0.5 A 32 LEU CDy C 13 23.6000 0.5 A 32 LEU CG C 13 27.1000 0.5 A 32 LEU N N 15 123.0770 0.5 A 33 GLY H H 1 8.6580 0.04 A 33 GLY HAx H 1 3.9900 0.04 A 33 GLY HAy H 1 4.7500 0.04 A 33 GLY C C 13 174.2790 0.5 A 33 GLY CA C 13 45.9300 0.5 A 33 GLY N N 15 110.4360 0.5 A 34 THR H H 1 8.0400 0.04 A 34 THR HA H 1 5.1660 0.04 A 34 THR HB H 1 3.9060 0.04 A 34 THR HG2% H 1 1.0700 0.04 A 34 THR C C 13 173.2460 0.5 A 34 THR CA C 13 60.7760 0.5 A 34 THR CB C 13 72.8920 0.5 A 34 THR CG2 C 13 22.4000 0.5 A 34 THR N N 15 113.1180 0.5 A 35 ARG H H 1 9.1040 0.04 A 35 ARG HA H 1 4.9800 0.04 A 35 ARG HBx H 1 1.7600 0.04 A 35 ARG C C 13 173.8020 0.5 A 35 ARG CA C 13 54.1000 0.5 A 35 ARG CB C 13 33.7900 0.5 A 35 ARG N N 15 120.3710 0.5 A 36 GLU H H 1 8.7500 0.04 A 36 GLU HA H 1 5.1600 0.04 A 36 GLU HBx H 1 2.0300 0.04 A 36 GLU HGx H 1 2.2300 0.04 A 36 GLU C C 13 175.9600 0.5 A 36 GLU CA C 13 55.2090 0.5 A 36 GLU CB C 13 32.6520 0.5 A 36 GLU CG C 13 36.3400 0.5 A 36 GLU N N 15 122.2590 0.5 A 37 GLY H H 1 9.4790 0.04 A 37 GLY HAy H 1 4.8400 0.04 A 37 GLY C C 13 173.0970 0.5 A 37 GLY CA C 13 44.1950 0.5 A 37 GLY N N 15 116.8950 0.5 A 38 THR H H 1 8.4850 0.04 A 38 THR HA H 1 5.5400 0.04 A 38 THR HB H 1 4.1300 0.04 A 38 THR HG2% H 1 1.2100 0.04 A 38 THR C C 13 173.0040 0.5 A 38 THR CA C 13 59.7510 0.5 A 38 THR CB C 13 72.6660 0.5 A 38 THR CG2 C 13 21.7700 0.5 A 38 THR N N 15 114.8480 0.5 A 39 ARG H H 1 8.2310 0.04 A 39 ARG HA H 1 4.6400 0.04 A 39 ARG HBx H 1 0.9270 0.04 A 39 ARG C C 13 174.6490 0.5 A 39 ARG CA C 13 54.5870 0.5 A 39 ARG CB C 13 33.2850 0.5 A 39 ARG CD C 13 42.7400 0.5 A 39 ARG CG C 13 24.4900 0.5 A 39 ARG N N 15 119.0720 0.5 A 40 THR H H 1 8.0970 0.04 A 40 THR HA H 1 4.4400 0.04 A 40 THR HB H 1 4.1500 0.04 A 40 THR HG2% H 1 1.1100 0.04 A 40 THR C C 13 173.8900 0.5 A 40 THR CA C 13 60.4310 0.5 A 40 THR CB C 13 71.1630 0.5 A 40 THR CG2 C 13 21.3020 0.5 A 40 THR N N 15 111.0090 0.5 A 41 GLY H H 1 8.1460 0.04 A 41 GLY HAx H 1 3.5900 0.04 A 41 GLY HAy H 1 4.4600 0.04 A 41 GLY C C 13 174.4890 0.5 A 41 GLY CA C 13 45.4870 0.5 A 41 GLY N N 15 110.0940 0.5 A 42 ALA H H 1 8.8440 0.04 A 42 ALA HA H 1 4.1500 0.04 A 42 ALA HB% H 1 1.4400 0.04 A 42 ALA C C 13 179.0630 0.5 A 42 ALA CA C 13 54.7370 0.5 A 42 ALA CB C 13 19.2580 0.5 A 42 ALA N N 15 130.0300 0.5 A 43 GLU H H 1 9.0700 0.04 A 43 GLU HA H 1 4.3500 0.04 A 43 GLU HBx H 1 1.6700 0.04 A 43 GLU HGx H 1 2.1700 0.04 A 43 GLU C C 13 175.8250 0.5 A 43 GLU CA C 13 54.9640 0.5 A 43 GLU CB C 13 29.3720 0.5 A 43 GLU CG C 13 36.4100 0.5 A 43 GLU N N 15 116.7210 0.5 A 44 CYS H H 1 7.4270 0.04 A 44 CYS C C 13 174.8870 0.5 A 44 CYS CA C 13 55.2870 0.5 A 44 CYS CB C 13 41.2150 0.5 A 44 CYS N N 15 120.0310 0.5 A 45 LYS H H 1 8.6550 0.04 A 45 LYS HA H 1 4.2200 0.04 A 45 LYS HBx H 1 1.8600 0.04 A 45 LYS HDx H 1 1.6700 0.04 A 45 LYS HEx H 1 3.0100 0.04 A 45 LYS HGx H 1 1.4900 0.04 A 45 LYS C C 13 176.4640 0.5 A 45 LYS CA C 13 57.7930 0.5 A 45 LYS CB C 13 32.2510 0.5 A 45 LYS CD C 13 28.6000 0.5 A 45 LYS CE C 13 42.3100 0.5 A 45 LYS CG C 13 24.7900 0.5 A 45 LYS N N 15 127.1920 0.5 A 46 GLN H H 1 7.8310 0.04 A 46 GLN HA H 1 4.6900 0.04 A 46 GLN HBx H 1 2.1300 0.04 A 46 GLN HGx H 1 2.3800 0.04 A 46 GLN HGy H 1 2.5800 0.04 A 46 GLN C C 13 175.5240 0.5 A 46 GLN CA C 13 55.7590 0.5 A 46 GLN CB C 13 29.6720 0.5 A 46 GLN CG C 13 33.8400 0.5 A 46 GLN N N 15 119.4540 0.5 A 47 THR H H 1 8.6330 0.04 A 47 THR HA H 1 4.7010 0.04 A 47 THR HB H 1 4.0990 0.04 A 47 THR HG2% H 1 0.9710 0.04 A 47 THR C C 13 173.4580 0.5 A 47 THR CA C 13 61.6930 0.5 A 47 THR CB C 13 69.7730 0.5 A 47 THR CG2 C 13 22.2200 0.5 A 47 THR N N 15 116.1220 0.5 A 48 MET H H 1 7.8380 0.04 A 48 MET HA H 1 5.6100 0.04 A 48 MET HBy H 1 2.1100 0.04 A 48 MET HBx H 1 2.0600 0.04 A 48 MET HGx H 1 2.6100 0.04 A 48 MET C C 13 174.8500 0.5 A 48 MET CA C 13 55.3210 0.5 A 48 MET CB C 13 36.5290 0.5 A 48 MET CG C 13 32.0000 0.5 A 48 MET N N 15 121.3780 0.5 A 49 LYS H H 1 8.5390 0.04 A 49 LYS HA H 1 4.5600 0.04 A 49 LYS HBx H 1 1.3900 0.04 A 49 LYS HDx H 1 1.0700 0.04 A 49 LYS HGx H 1 0.6400 0.04 A 49 LYS C C 13 173.7730 0.5 A 49 LYS CA C 13 55.8990 0.5 A 49 LYS CB C 13 36.0320 0.5 A 49 LYS CD C 13 29.4500 0.5 A 49 LYS CE C 13 43.9900 0.5 A 49 LYS CG C 13 23.8300 0.5 A 49 LYS N N 15 123.7480 0.5 A 50 THR H H 1 8.4160 0.04 A 50 THR HA H 1 5.3300 0.04 A 50 THR HB H 1 3.9600 0.04 A 50 THR HG2% H 1 1.2100 0.04 A 50 THR C C 13 174.0470 0.5 A 50 THR CA C 13 61.1690 0.5 A 50 THR CB C 13 71.0190 0.5 A 50 THR CG2 C 13 21.8600 0.5 A 50 THR N N 15 117.2760 0.5 A 51 GLN H H 1 9.0340 0.04 A 51 GLN HA H 1 4.6800 0.04 A 51 GLN C C 13 174.4530 0.5 A 51 GLN CA C 13 54.0790 0.5 A 51 GLN CB C 13 34.3520 0.5 A 51 GLN N N 15 123.9960 0.5 A 52 ARG H H 1 8.5200 0.04 A 52 ARG HA H 1 4.6000 0.04 A 52 ARG HBx H 1 1.8100 0.04 A 52 ARG HDx H 1 3.2100 0.04 A 52 ARG HGx H 1 1.6000 0.04 A 52 ARG C C 13 174.9780 0.5 A 52 ARG CA C 13 56.6000 0.5 A 52 ARG CB C 13 30.8120 0.5 A 52 ARG CD C 13 43.4300 0.5 A 52 ARG CG C 13 27.1700 0.5 A 52 ARG N N 15 124.7590 0.5 A 53 CYS H H 1 8.1670 0.04 A 53 CYS HA H 1 4.1300 0.04 A 53 CYS HBx H 1 2.9800 0.04 A 53 CYS HBy H 1 3.1100 0.04 A 53 CYS C C 13 170.7550 0.5 A 53 CYS CA C 13 54.5740 0.5 A 53 CYS CB C 13 47.1780 0.5 A 53 CYS N N 15 120.1580 0.5 A 54 LYS H H 1 8.4890 0.04 A 54 LYS HA H 1 4.8400 0.04 A 54 LYS HBx H 1 1.5600 0.04 A 54 LYS HBy H 1 1.6100 0.04 A 54 LYS HEx H 1 2.8200 0.04 A 54 LYS HGx H 1 1.1000 0.04 A 54 LYS HGy H 1 1.1000 0.04 A 54 LYS C C 13 175.1660 0.5 A 54 LYS CA C 13 55.6110 0.5 A 54 LYS CB C 13 36.0660 0.5 A 54 LYS CD C 13 29.3000 0.5 A 54 LYS CE C 13 41.0700 0.5 A 54 LYS CG C 13 24.8300 0.5 A 54 LYS N N 15 120.2830 0.5 A 55 ILE H H 1 8.6730 0.04 A 55 ILE HA H 1 4.6000 0.04 A 55 ILE HB H 1 1.6000 0.04 A 55 ILE HD1% H 1 0.6700 0.04 A 55 ILE HG1x H 1 1.3200 0.04 A 55 ILE HG2% H 1 1.0500 0.04 A 55 ILE CA C 13 57.2990 0.5 A 55 ILE CB C 13 41.7590 0.5 A 55 ILE CD1 C 13 14.2000 0.5 A 55 ILE CG1 C 13 27.4000 0.5 A 55 ILE CG2 C 13 16.7000 0.5 A 55 ILE N N 15 126.7940 0.5 A 56 PRO HA H 1 4.3600 0.04 A 56 PRO HBx H 1 2.2800 0.04 A 56 PRO HGx H 1 1.8500 0.04 A 56 PRO C C 13 176.7480 0.5 A 56 PRO CA C 13 63.7900 0.5 A 56 PRO CB C 13 32.2000 0.5 A 56 PRO CD C 13 51.9000 0.5 A 56 PRO CG C 13 27.5600 0.5 A 57 CYS H H 1 8.7820 0.04 A 57 CYS HA H 1 4.1600 0.04 A 57 CYS HBx H 1 2.7500 0.04 A 57 CYS C C 13 174.8670 0.5 A 57 CYS CA C 13 54.4900 0.5 A 57 CYS CB C 13 43.0900 0.5 A 57 CYS N N 15 121.4110 0.5 A 58 ASN H H 1 8.5510 0.04 A 58 ASN HA H 1 4.6200 0.04 A 58 ASN HBx H 1 2.7800 0.04 A 58 ASN HD2x H 1 6.8800 0.04 A 58 ASN HD2y H 1 7.6400 0.04 A 58 ASN C C 13 175.1290 0.5 A 58 ASN CA C 13 53.8320 0.5 A 58 ASN CB C 13 38.6340 0.5 A 58 ASN N N 15 120.9180 0.5 A 58 ASN ND2 N 15 113.4000 0.5 A 59 TRP H H 1 8.0100 0.04 A 59 TRP HA H 1 4.6040 0.04 A 59 TRP HBy H 1 3.2900 0.04 A 59 TRP HBx H 1 3.2000 0.04 A 59 TRP HD1 H 1 7.2800 0.04 A 59 TRP HE1 H 1 10.2000 0.04 A 59 TRP HE3 H 1 7.5000 0.04 A 59 TRP HH2 H 1 7.1400 0.04 A 59 TRP HZ2 H 1 7.4500 0.04 A 59 TRP HZ3 H 1 7.0200 0.04 A 59 TRP C C 13 176.3740 0.5 A 59 TRP CA C 13 57.6050 0.5 A 59 TRP CB C 13 29.4870 0.5 A 59 TRP CD1 C 13 127.3000 0.5 A 59 TRP CE3 C 13 120.9000 0.5 A 59 TRP CH2 C 13 124.6000 0.5 A 59 TRP CZ2 C 13 114.7000 0.5 A 59 TRP CZ3 C 13 122.0000 0.5 A 59 TRP N N 15 121.7910 0.5 A 59 TRP NE1 N 15 129.8000 0.5 A 60 LYS H H 1 7.7510 0.04 A 60 LYS HA H 1 4.0700 0.04 A 60 LYS HBx H 1 1.6500 0.04 A 60 LYS HDx H 1 1.5010 0.04 A 60 LYS HEx H 1 2.8020 0.04 A 60 LYS HGx H 1 0.9800 0.04 A 60 LYS C C 13 176.6850 0.5 A 60 LYS CA C 13 56.9260 0.5 A 60 LYS CB C 13 32.8770 0.5 A 60 LYS CD C 13 29.0000 0.5 A 60 LYS CE C 13 42.1800 0.5 A 60 LYS CG C 13 24.5600 0.5 A 60 LYS N N 15 122.2890 0.5 A 61 LYS H H 1 7.9630 0.04 A 61 LYS HA H 1 4.1600 0.04 A 61 LYS HBx H 1 1.7100 0.04 A 61 LYS HDx H 1 1.5200 0.04 A 61 LYS HEx H 1 2.9500 0.04 A 61 LYS HGx H 1 1.3500 0.04 A 61 LYS C C 13 176.7310 0.5 A 61 LYS CA C 13 56.8040 0.5 A 61 LYS CB C 13 32.9100 0.5 A 61 LYS CD C 13 29.2100 0.5 A 61 LYS CE C 13 42.2800 0.5 A 61 LYS CG C 13 24.7700 0.5 A 61 LYS N N 15 121.6910 0.5 A 62 GLN H H 1 8.1770 0.04 A 62 GLN HA H 1 4.2400 0.04 A 62 GLN HBx H 1 1.9200 0.04 A 62 GLN HGx H 1 2.1800 0.04 A 62 GLN C C 13 175.6960 0.5 A 62 GLN CA C 13 56.4160 0.5 A 62 GLN CB C 13 29.7220 0.5 A 62 GLN CG C 13 33.6400 0.5 A 62 GLN N N 15 120.6110 0.5 A 63 PHE H H 1 7.9900 0.04 A 63 PHE HA H 1 4.7500 0.04 A 63 PHE HBx H 1 3.0800 0.04 A 63 PHE HBy H 1 3.3000 0.04 A 63 PHE HDx H 1 7.2700 0.04 A 63 PHE HEx H 1 7.3200 0.04 A 63 PHE C C 13 175.9580 0.5 A 63 PHE CA C 13 57.3390 0.5 A 63 PHE CB C 13 39.8130 0.5 A 63 PHE CDx C 13 132.1000 0.5 A 63 PHE CEx C 13 131.3000 0.5 A 63 PHE N N 15 119.9640 0.5 A 64 GLY H H 1 8.4270 0.04 A 64 GLY HAx H 1 4.0340 0.04 A 64 GLY C C 13 174.2970 0.5 A 64 GLY CA C 13 45.3060 0.5 A 64 GLY N N 15 110.6740 0.5 A 65 ALA H H 1 8.3160 0.04 A 65 ALA HA H 1 4.2600 0.04 A 65 ALA HB% H 1 1.4100 0.04 A 65 ALA C C 13 178.0280 0.5 A 65 ALA CA C 13 53.4000 0.5 A 65 ALA CB C 13 19.3720 0.5 A 65 ALA N N 15 124.2130 0.5 A 66 GLU H H 1 8.6970 0.04 A 66 GLU HA H 1 4.2400 0.04 A 66 GLU HBx H 1 1.8900 0.04 A 66 GLU HGx H 1 2.2500 0.04 A 66 GLU C C 13 175.1270 0.5 A 66 GLU CA C 13 57.2050 0.5 A 66 GLU CB C 13 29.9240 0.5 A 66 GLU CG C 13 36.3500 0.5 A 66 GLU N N 15 117.4890 0.5 A 67 CYS H H 1 7.7580 0.04 A 67 CYS HA H 1 4.3100 0.04 A 67 CYS HBx H 1 3.0300 0.04 A 67 CYS C C 13 172.4360 0.5 A 67 CYS CA C 13 53.3000 0.5 A 67 CYS CB C 13 41.1220 0.5 A 67 CYS N N 15 119.3050 0.5 A 68 LYS H H 1 8.1740 0.04 A 68 LYS HA H 1 4.6800 0.04 A 68 LYS HBx H 1 1.6600 0.04 A 68 LYS HEx H 1 2.8800 0.04 A 68 LYS HGx H 1 1.2700 0.04 A 68 LYS HGy H 1 1.3100 0.04 A 68 LYS C C 13 174.8040 0.5 A 68 LYS CA C 13 54.0090 0.5 A 68 LYS CB C 13 33.6510 0.5 A 68 LYS CD C 13 28.4400 0.5 A 68 LYS CE C 13 44.3100 0.5 A 68 LYS CG C 13 24.1100 0.5 A 68 LYS N N 15 123.2480 0.5 A 69 TYR H H 1 8.7690 0.04 A 69 TYR HA H 1 4.4100 0.04 A 69 TYR HBx H 1 2.7400 0.04 A 69 TYR HBy H 1 2.8500 0.04 A 69 TYR HDx H 1 6.4000 0.04 A 69 TYR HEx H 1 6.3600 0.04 A 69 TYR C C 13 174.6020 0.5 A 69 TYR CA C 13 58.2040 0.5 A 69 TYR CB C 13 42.1000 0.5 A 69 TYR CDx C 13 132.1000 0.5 A 69 TYR CEx C 13 117.8000 0.5 A 69 TYR N N 15 122.6350 0.5 A 70 GLN H H 1 8.5730 0.04 A 70 GLN HA H 1 4.5900 0.04 A 70 GLN HBx H 1 1.8100 0.04 A 70 GLN HBy H 1 1.9900 0.04 A 70 GLN HGx H 1 2.2030 0.04 A 70 GLN C C 13 175.6340 0.5 A 70 GLN CA C 13 54.1080 0.5 A 70 GLN CB C 13 29.9000 0.5 A 70 GLN CG C 13 33.4500 0.5 A 70 GLN N N 15 120.9840 0.5 A 71 PHE H H 1 9.2550 0.04 A 71 PHE HA H 1 4.9700 0.04 A 71 PHE HBx H 1 2.6900 0.04 A 71 PHE HBy H 1 2.8500 0.04 A 71 PHE HDx H 1 6.8800 0.04 A 71 PHE C C 13 177.1490 0.5 A 71 PHE CA C 13 58.9760 0.5 A 71 PHE CB C 13 40.8370 0.5 A 71 PHE CDx C 13 129.6000 0.5 A 71 PHE N N 15 127.3890 0.5 A 72 GLN H H 1 8.2730 0.04 A 72 GLN HA H 1 4.4400 0.04 A 72 GLN HBx H 1 1.9200 0.04 A 72 GLN HBy H 1 2.0400 0.04 A 72 GLN HGy H 1 2.4400 0.04 A 72 GLN HGx H 1 2.2100 0.04 A 72 GLN C C 13 176.7210 0.5 A 72 GLN CA C 13 54.7070 0.5 A 72 GLN CB C 13 29.9830 0.5 A 72 GLN CG C 13 34.7000 0.5 A 72 GLN N N 15 121.5140 0.5 A 73 ALA H H 1 8.2930 0.04 A 73 ALA HA H 1 4.2200 0.04 A 73 ALA HB% H 1 1.4600 0.04 A 73 ALA C C 13 178.7760 0.5 A 73 ALA CA C 13 52.7510 0.5 A 73 ALA CB C 13 19.5590 0.5 A 73 ALA N N 15 122.4140 0.5 A 74 TRP H H 1 8.1360 0.04 A 74 TRP HA H 1 4.2600 0.04 A 74 TRP HBx H 1 3.1300 0.04 A 74 TRP HBy H 1 3.2800 0.04 A 74 TRP HE1 H 1 10.2000 0.04 A 74 TRP HH2 H 1 6.7500 0.04 A 74 TRP HZ2 H 1 7.3400 0.04 A 74 TRP HZ3 H 1 7.0300 0.04 A 74 TRP C C 13 178.2900 0.5 A 74 TRP CA C 13 58.9820 0.5 A 74 TRP CB C 13 30.6330 0.5 A 74 TRP CH2 C 13 124.4000 0.5 A 74 TRP CZ2 C 13 114.7000 0.5 A 74 TRP CZ3 C 13 123.4000 0.5 A 74 TRP N N 15 120.4120 0.5 A 74 TRP NE1 N 15 129.8000 0.5 A 75 GLY H H 1 8.7630 0.04 A 75 GLY HAx H 1 4.1600 0.04 A 75 GLY HAy H 1 4.4200 0.04 A 75 GLY C C 13 177.7000 0.5 A 75 GLY CA C 13 44.2870 0.5 A 75 GLY N N 15 109.8810 0.5 A 76 GLU H H 1 8.4000 0.04 A 76 GLU HA H 1 4.2300 0.04 A 76 GLU HBx H 1 1.9600 0.04 A 76 GLU HBy H 1 2.0600 0.04 A 76 GLU HGx H 1 2.3700 0.04 A 76 GLU C C 13 177.7700 0.5 A 76 GLU CA C 13 55.7000 0.5 A 76 GLU CB C 13 30.6000 0.5 A 76 GLU CG C 13 36.1100 0.5 A 76 GLU N N 15 116.9000 0.5 A 77 CYS H H 1 8.9800 0.04 A 77 CYS HA H 1 4.1500 0.04 A 77 CYS HBx H 1 2.7900 0.04 A 77 CYS HBy H 1 2.9400 0.04 A 77 CYS C C 13 174.1170 0.5 A 77 CYS CA C 13 56.7060 0.5 A 77 CYS CB C 13 41.0560 0.5 A 77 CYS N N 15 121.8460 0.5 A 78 ASP H H 1 8.2790 0.04 A 78 ASP HA H 1 4.6800 0.04 A 78 ASP HBx H 1 2.6400 0.04 A 78 ASP C C 13 176.8900 0.5 A 78 ASP CA C 13 53.4920 0.5 A 78 ASP CB C 13 41.8190 0.5 A 78 ASP N N 15 131.7280 0.5 A 79 LEU H H 1 8.7630 0.04 A 79 LEU HA H 1 3.9900 0.04 A 79 LEU HBx H 1 1.6500 0.04 A 79 LEU HBy H 1 1.6800 0.04 A 79 LEU HDx% H 1 0.8900 0.04 A 79 LEU HDy% H 1 0.8900 0.04 A 79 LEU HG H 1 1.5200 0.04 A 79 LEU C C 13 178.6270 0.5 A 79 LEU CA C 13 57.1790 0.5 A 79 LEU CB C 13 41.6420 0.5 A 79 LEU CDx C 13 22.9200 0.5 A 79 LEU CDy C 13 24.8100 0.5 A 79 LEU CG C 13 26.8900 0.5 A 79 LEU N N 15 127.1910 0.5 A 80 ASN H H 1 8.7460 0.04 A 80 ASN HA H 1 4.5900 0.04 A 80 ASN HBx H 1 2.8030 0.04 A 80 ASN HBy H 1 3.0400 0.04 A 80 ASN C C 13 176.9050 0.5 A 80 ASN CA C 13 55.8000 0.5 A 80 ASN CB C 13 39.1510 0.5 A 80 ASN N N 15 116.2380 0.5 A 81 THR H H 1 7.6660 0.04 A 81 THR HA H 1 4.2400 0.04 A 81 THR HB H 1 4.1900 0.04 A 81 THR HG2% H 1 1.1400 0.04 A 81 THR C C 13 174.7270 0.5 A 81 THR CA C 13 61.5400 0.5 A 81 THR CB C 13 70.9000 0.5 A 81 THR CG2 C 13 21.7200 0.5 A 81 THR N N 15 108.4590 0.5 A 82 ALA H H 1 8.6870 0.04 A 82 ALA HA H 1 3.8200 0.04 A 82 ALA HB% H 1 1.4900 0.04 A 82 ALA C C 13 176.5060 0.5 A 82 ALA CA C 13 53.6030 0.5 A 82 ALA CB C 13 17.0130 0.5 A 82 ALA N N 15 122.8700 0.5 A 83 LEU H H 1 7.3530 0.04 A 83 LEU HA H 1 5.0310 0.04 A 83 LEU HBx H 1 1.5900 0.04 A 83 LEU HDx% H 1 0.6500 0.04 A 83 LEU HDy% H 1 0.7300 0.04 A 83 LEU HG H 1 1.1400 0.04 A 83 LEU C C 13 177.6160 0.5 A 83 LEU CA C 13 54.0980 0.5 A 83 LEU CB C 13 46.6220 0.5 A 83 LEU CDx C 13 22.9200 0.5 A 83 LEU CDy C 13 23.4000 0.5 A 83 LEU CG C 13 25.3600 0.5 A 83 LEU N N 15 117.3740 0.5 A 84 LYS H H 1 9.0430 0.04 A 84 LYS HA H 1 4.9400 0.04 A 84 LYS HBx H 1 1.6600 0.04 A 84 LYS HDx H 1 1.2900 0.04 A 84 LYS HGx H 1 1.1200 0.04 A 84 LYS C C 13 175.4490 0.5 A 84 LYS CA C 13 54.2870 0.5 A 84 LYS CB C 13 36.0600 0.5 A 84 LYS CD C 13 29.9300 0.5 A 84 LYS CE C 13 41.7600 0.5 A 84 LYS CG C 13 23.7800 0.5 A 84 LYS N N 15 122.0530 0.5 A 85 THR H H 1 9.0110 0.04 A 85 THR HA H 1 5.8200 0.04 A 85 THR HB H 1 3.9500 0.04 A 85 THR HG2% H 1 1.1400 0.04 A 85 THR C C 13 174.1230 0.5 A 85 THR CA C 13 61.2260 0.5 A 85 THR CB C 13 72.8570 0.5 A 85 THR CG2 C 13 21.8600 0.5 A 85 THR N N 15 114.8960 0.5 A 86 ARG H H 1 9.0560 0.04 A 86 ARG C C 13 173.7920 0.5 A 86 ARG CA C 13 56.7200 0.5 A 86 ARG CB C 13 33.1850 0.5 A 86 ARG N N 15 123.8040 0.5 A 87 THR H H 1 8.3870 0.04 A 87 THR HA H 1 5.2700 0.04 A 87 THR HB H 1 3.9200 0.04 A 87 THR HG2% H 1 1.1400 0.04 A 87 THR C C 13 173.9390 0.5 A 87 THR CA C 13 61.0030 0.5 A 87 THR CB C 13 71.0910 0.5 A 87 THR CG2 C 13 21.5300 0.5 A 87 THR N N 15 117.7960 0.5 A 88 GLY H H 1 9.0740 0.04 A 88 GLY HAx H 1 4.7030 0.04 A 88 GLY C C 13 171.6450 0.5 A 88 GLY CA C 13 44.6570 0.5 A 88 GLY N N 15 112.5010 0.5 A 89 SER H H 1 8.2170 0.04 A 89 SER HA H 1 5.2600 0.04 A 89 SER HBx H 1 3.7700 0.04 A 89 SER C C 13 174.7670 0.5 A 89 SER CA C 13 56.5120 0.5 A 89 SER CB C 13 65.4340 0.5 A 89 SER N N 15 115.8020 0.5 A 90 LEU H H 1 8.5550 0.04 A 90 LEU HA H 1 3.4200 0.04 A 90 LEU HBx H 1 1.6400 0.04 A 90 LEU HDx% H 1 0.3170 0.04 A 90 LEU HG H 1 0.6200 0.04 A 90 LEU C C 13 176.3990 0.5 A 90 LEU CA C 13 56.5580 0.5 A 90 LEU CB C 13 43.0060 0.5 A 90 LEU CDx C 13 21.9600 0.5 A 90 LEU CG C 13 26.5800 0.5 A 90 LEU N N 15 128.5950 0.5 A 91 LYS H H 1 9.0650 0.04 A 91 LYS HA H 1 4.3300 0.04 A 91 LYS HBx H 1 1.5500 0.04 A 91 LYS HDx H 1 1.4030 0.04 A 91 LYS HEx H 1 2.8500 0.04 A 91 LYS HGx H 1 1.2800 0.04 A 91 LYS C C 13 176.3180 0.5 A 91 LYS CA C 13 56.1030 0.5 A 91 LYS CB C 13 33.5650 0.5 A 91 LYS CD C 13 28.5400 0.5 A 91 LYS CE C 13 41.6700 0.5 A 91 LYS CG C 13 24.4900 0.5 A 91 LYS N N 15 128.6460 0.5 A 92 ARG H H 1 7.6410 0.04 A 92 ARG HA H 1 4.2200 0.04 A 92 ARG HBx H 1 1.6300 0.04 A 92 ARG HDx H 1 3.1200 0.04 A 92 ARG HGx H 1 1.4700 0.04 A 92 ARG C C 13 173.2590 0.5 A 92 ARG CA C 13 56.2590 0.5 A 92 ARG CB C 13 32.6230 0.5 A 92 ARG CD C 13 43.4200 0.5 A 92 ARG CG C 13 26.5900 0.5 A 92 ARG N N 15 118.8340 0.5 A 93 ALA H H 1 8.4510 0.04 A 93 ALA HA H 1 4.8700 0.04 A 93 ALA HB% H 1 1.2900 0.04 A 93 ALA C C 13 177.0370 0.5 A 93 ALA CA C 13 50.9490 0.5 A 93 ALA CB C 13 21.6640 0.5 A 93 ALA N N 15 127.5740 0.5 A 94 LEU H H 1 8.6540 0.04 A 94 LEU HA H 1 4.2500 0.04 A 94 LEU HBx H 1 1.5040 0.04 A 94 LEU HDx% H 1 0.7850 0.04 A 94 LEU HDy% H 1 0.7850 0.04 A 94 LEU HG H 1 1.1600 0.04 A 94 LEU C C 13 177.2560 0.5 A 94 LEU CA C 13 55.1370 0.5 A 94 LEU CB C 13 42.6970 0.5 A 94 LEU CDx C 13 23.1900 0.5 A 94 LEU CDy C 13 24.7900 0.5 A 94 LEU CG C 13 27.1700 0.5 A 94 LEU N N 15 123.2960 0.5 A 95 HIS H H 1 8.6420 0.04 A 95 HIS HA H 1 4.4300 0.04 A 95 HIS HBx H 1 3.2100 0.04 A 95 HIS HD2 H 1 7.1700 0.04 A 95 HIS HE1 H 1 8.3600 0.04 A 95 HIS C C 13 174.8010 0.5 A 95 HIS CA C 13 56.4000 0.5 A 95 HIS CB C 13 28.2180 0.5 A 95 HIS CD2 C 13 119.8000 0.5 A 95 HIS CE1 C 13 136.5000 0.5 A 95 HIS N N 15 116.4130 0.5 A 96 ASN H H 1 8.4610 0.04 A 96 ASN HA H 1 4.4500 0.04 A 96 ASN HBx H 1 2.8700 0.04 A 96 ASN HD2x H 1 7.7800 0.04 A 96 ASN C C 13 175.0260 0.5 A 96 ASN CA C 13 53.6920 0.5 A 96 ASN CB C 13 38.0560 0.5 A 96 ASN N N 15 115.8240 0.5 A 97 ALA H H 1 7.7910 0.04 A 97 ALA HA H 1 4.1300 0.04 A 97 ALA HB% H 1 1.3700 0.04 A 97 ALA C C 13 177.3370 0.5 A 97 ALA CA C 13 53.4300 0.5 A 97 ALA CB C 13 20.2040 0.5 A 97 ALA N N 15 122.5580 0.5 A 98 GLU H H 1 8.4780 0.04 A 98 GLU HA H 1 4.3200 0.04 A 98 GLU HBx H 1 1.9500 0.04 A 98 GLU HGx H 1 2.2500 0.04 A 98 GLU C C 13 176.1540 0.5 A 98 GLU CA C 13 56.6300 0.5 A 98 GLU CB C 13 29.4960 0.5 A 98 GLU CG C 13 36.0800 0.5 A 98 GLU N N 15 120.5040 0.5 A 99 CYS H H 1 7.9780 0.04 A 99 CYS HA H 1 4.8200 0.04 A 99 CYS HBx H 1 2.6040 0.04 A 99 CYS HBy H 1 2.9030 0.04 A 99 CYS C C 13 174.7110 0.5 A 99 CYS CA C 13 53.9850 0.5 A 99 CYS CB C 13 44.1770 0.5 A 99 CYS N N 15 122.3990 0.5 A 100 GLN H H 1 8.8640 0.04 A 100 GLN HA H 1 4.3000 0.04 A 100 GLN HBx H 1 1.9200 0.04 A 100 GLN HBy H 1 2.1800 0.04 A 100 GLN HGx H 1 2.5200 0.04 A 100 GLN C C 13 178.3170 0.5 A 100 GLN CA C 13 56.1570 0.5 A 100 GLN CB C 13 29.3030 0.5 A 100 GLN CG C 13 34.1300 0.5 A 100 GLN N N 15 123.5390 0.5 A 101 LYS H H 1 9.0630 0.04 A 101 LYS HA H 1 4.0200 0.04 A 101 LYS HBx H 1 1.9500 0.04 A 101 LYS HDx H 1 1.7700 0.04 A 101 LYS HEx H 1 3.0300 0.04 A 101 LYS HGx H 1 1.6100 0.04 A 101 LYS C C 13 176.6690 0.5 A 101 LYS CA C 13 59.8760 0.5 A 101 LYS CB C 13 32.7600 0.5 A 101 LYS CD C 13 28.9300 0.5 A 101 LYS CE C 13 42.0300 0.5 A 101 LYS CG C 13 25.4600 0.5 A 101 LYS N N 15 125.1530 0.5 A 102 THR H H 1 7.7060 0.04 A 102 THR HA H 1 5.2600 0.04 A 102 THR HB H 1 3.9800 0.04 A 102 THR HG2% H 1 1.1400 0.04 A 102 THR C C 13 173.0970 0.5 A 102 THR CA C 13 59.9220 0.5 A 102 THR CB C 13 71.7880 0.5 A 102 THR CG2 C 13 21.7600 0.5 A 102 THR N N 15 111.2080 0.5 A 103 VAL H H 1 8.1920 0.04 A 103 VAL HA H 1 4.5100 0.04 A 103 VAL HB H 1 1.5400 0.04 A 103 VAL HGx% H 1 0.2300 0.04 A 103 VAL HGy% H 1 -0.1100 0.04 A 103 VAL C C 13 174.1320 0.5 A 103 VAL CA C 13 59.5380 0.5 A 103 VAL CB C 13 35.5230 0.5 A 103 VAL CGy C 13 21.4000 0.5 A 103 VAL CGx C 13 17.5400 0.5 A 103 VAL N N 15 117.3950 0.5 A 104 THR H H 1 8.3320 0.04 A 104 THR HA H 1 5.0980 0.04 A 104 THR HB H 1 3.8600 0.04 A 104 THR HG2% H 1 1.0800 0.04 A 104 THR C C 13 173.6460 0.5 A 104 THR CA C 13 61.4580 0.5 A 104 THR CB C 13 71.1770 0.5 A 104 THR CG2 C 13 21.6200 0.5 A 104 THR N N 15 117.8620 0.5 A 105 ILE H H 1 8.8680 0.04 A 105 ILE HA H 1 4.6700 0.04 A 105 ILE HB H 1 1.7200 0.04 A 105 ILE HD1% H 1 0.5300 0.04 A 105 ILE HG1x H 1 1.2400 0.04 A 105 ILE HG2% H 1 0.9600 0.04 A 105 ILE C C 13 174.2960 0.5 A 105 ILE CA C 13 59.6950 0.5 A 105 ILE CB C 13 41.1160 0.5 A 105 ILE CD1 C 13 13.2500 0.5 A 105 ILE CG1 C 13 27.2200 0.5 A 105 ILE CG2 C 13 17.9700 0.5 A 105 ILE N N 15 124.4310 0.5 A 106 SER H H 1 8.5590 0.04 A 106 SER HA H 1 3.7600 0.04 A 106 SER HBx H 1 3.7600 0.04 A 106 SER C C 13 173.4410 0.5 A 106 SER CA C 13 56.8770 0.5 A 106 SER CB C 13 67.1150 0.5 A 106 SER N N 15 118.4300 0.5 A 107 LYS H H 1 9.0600 0.04 A 107 LYS CA C 13 53.6250 0.5 A 107 LYS CB C 13 35.5150 0.5 A 107 LYS N N 15 121.9760 0.5 A 108 PRO HA H 1 4.9400 0.04 A 108 PRO HBx H 1 2.4500 0.04 A 108 PRO HDx H 1 3.8200 0.04 A 108 PRO HDy H 1 4.1600 0.04 A 108 PRO HGx H 1 1.8100 0.04 A 108 PRO HGy H 1 1.9900 0.04 A 108 PRO C C 13 176.7410 0.5 A 108 PRO CA C 13 62.8700 0.5 A 108 PRO CB C 13 32.5900 0.5 A 108 PRO CD C 13 51.4900 0.5 A 108 PRO CG C 13 27.5300 0.5 A 109 CYS H H 1 8.2370 0.04 A 109 CYS HA H 1 4.5010 0.04 A 109 CYS HBx H 1 2.9500 0.04 A 109 CYS HBy H 1 3.2500 0.04 A 109 CYS C C 13 173.3690 0.5 A 109 CYS CA C 13 55.9500 0.5 A 109 CYS CB C 13 44.6200 0.5 A 109 CYS N N 15 118.3130 0.5 A 110 GLY H H 1 8.2200 0.04 A 110 GLY HAx H 1 3.9000 0.04 A 110 GLY C C 13 173.4550 0.5 A 110 GLY CA C 13 45.2760 0.5 A 110 GLY N N 15 108.6770 0.5 A 111 LYS H H 1 8.2390 0.04 A 111 LYS HA H 1 4.2700 0.04 A 111 LYS HBx H 1 1.7500 0.04 A 111 LYS HEx H 1 2.9900 0.04 A 111 LYS HGx H 1 1.4200 0.04 A 111 LYS C C 13 176.5970 0.5 A 111 LYS CA C 13 56.4200 0.5 A 111 LYS CB C 13 33.4700 0.5 A 111 LYS CD C 13 29.0100 0.5 A 111 LYS CE C 13 42.1200 0.5 A 111 LYS CG C 13 26.2300 0.5 A 111 LYS N N 15 121.3610 0.5 A 112 LEU H H 1 8.3400 0.04 A 112 LEU HA H 1 4.4100 0.04 A 112 LEU HBx H 1 1.5900 0.04 A 112 LEU HDx% H 1 0.8800 0.04 A 112 LEU C C 13 177.4040 0.5 A 112 LEU CA C 13 55.1500 0.5 A 112 LEU CB C 13 42.3490 0.5 A 112 LEU CDy C 13 24.8600 0.5 A 112 LEU CDx C 13 23.5600 0.5 A 112 LEU CG C 13 26.9900 0.5 A 112 LEU N N 15 123.9710 0.5 A 113 THR H H 1 8.1500 0.04 A 113 THR HA H 1 4.3100 0.04 A 113 THR HB H 1 4.1300 0.04 A 113 THR HG2% H 1 1.1500 0.04 A 113 THR C C 13 174.0820 0.5 A 113 THR CA C 13 61.6760 0.5 A 113 THR CB C 13 69.0900 0.5 A 113 THR CG2 C 13 21.7600 0.5 A 113 THR N N 15 116.6530 0.5 A 114 LYS H H 1 8.2900 0.04 A 114 LYS CA C 13 54.1570 0.5 A 114 LYS CB C 13 32.8200 0.5 A 114 LYS N N 15 125.7700 0.5 A 115 PRO HA H 1 4.3500 0.04 A 115 PRO HBy H 1 2.2700 0.04 A 115 PRO HBx H 1 1.9800 0.04 A 115 PRO HDx H 1 3.5900 0.04 A 115 PRO HDy H 1 3.8200 0.04 A 115 PRO HGx H 1 1.7800 0.04 A 115 PRO C C 13 176.6790 0.5 A 115 PRO CA C 13 62.9600 0.5 A 115 PRO CB C 13 31.8600 0.5 A 115 PRO CD C 13 50.8400 0.5 A 115 PRO CG C 13 27.1900 0.5 A 116 LYS H H 1 8.4410 0.04 A 116 LYS CA C 13 54.3380 0.5 A 116 LYS CB C 13 32.9130 0.5 A 116 LYS N N 15 123.8180 0.5 A 117 PRO HA H 1 4.4030 0.04 A 117 PRO HBx H 1 2.2900 0.04 A 117 PRO HDx H 1 3.6400 0.04 A 117 PRO HDy H 1 3.8200 0.04 A 117 PRO HGx H 1 1.9400 0.04 A 117 PRO C C 13 177.0380 0.5 A 117 PRO CA C 13 63.3600 0.5 A 117 PRO CB C 13 32.0600 0.5 A 117 PRO CD C 13 50.7200 0.5 A 117 PRO CG C 13 27.3900 0.5 A 118 GLN H H 1 8.5100 0.04 A 118 GLN HA H 1 4.2700 0.04 A 118 GLN HBx H 1 2.0300 0.04 A 118 GLN HGx H 1 2.3900 0.04 A 118 GLN C C 13 175.9630 0.5 A 118 GLN CA C 13 55.9160 0.5 A 118 GLN CB C 13 29.7430 0.5 A 118 GLN CG C 13 33.7400 0.5 A 118 GLN N N 15 121.5960 0.5 A 119 ALA H H 1 8.3890 0.04 A 119 ALA HA H 1 4.2700 0.04 A 119 ALA HB% H 1 1.3900 0.04 A 119 ALA C C 13 177.9210 0.5 A 119 ALA CA C 13 52.7650 0.5 A 119 ALA CB C 13 19.5010 0.5 A 119 ALA N N 15 126.0730 0.5 A 120 GLU H H 1 8.4410 0.04 A 120 GLU HA H 1 4.2600 0.04 A 120 GLU HBx H 1 1.9900 0.04 A 120 GLU HGx H 1 2.2700 0.04 A 120 GLU C C 13 176.8190 0.5 A 120 GLU CA C 13 56.6800 0.5 A 120 GLU CB C 13 30.4820 0.5 A 120 GLU CG C 13 36.2000 0.5 A 120 GLU N N 15 121.1070 0.5 A 121 SER H H 1 8.3790 0.04 A 121 SER HA H 1 4.4100 0.04 A 121 SER HBx H 1 3.8500 0.04 A 121 SER HBy H 1 3.8900 0.04 A 121 SER C C 13 174.8920 0.5 A 121 SER CA C 13 58.5480 0.5 A 121 SER CB C 13 63.6680 0.5 A 121 SER N N 15 117.7910 0.5 A 122 LYS H H 1 8.3290 0.04 A 122 LYS CA C 13 56.4740 0.5 A 122 LYS CB C 13 33.3350 0.5 A 122 LYS N N 15 123.9550 0.5 A 125 LYS HA H 1 4.3100 0.04 A 125 LYS HBx H 1 1.7900 0.04 A 125 LYS HEx H 1 2.9900 0.04 A 125 LYS HGx H 1 1.4300 0.04 A 125 LYS C C 13 176.7210 0.5 A 125 LYS CA C 13 56.5800 0.5 A 125 LYS CB C 13 32.8100 0.5 A 125 LYS CD C 13 30.1100 0.5 A 125 LYS CE C 13 42.1800 0.5 A 125 LYS CG C 13 24.7700 0.5 A 126 LYS H H 1 8.1690 0.04 A 126 LYS HA H 1 4.3200 0.04 A 126 LYS HBx H 1 1.7700 0.04 A 126 LYS HEx H 1 3.0200 0.04 A 126 LYS HGx H 1 1.4400 0.04 A 126 LYS C C 13 176.5120 0.5 A 126 LYS CA C 13 56.4400 0.5 A 126 LYS CB C 13 33.0570 0.5 A 126 LYS CD C 13 29.2000 0.5 A 126 LYS CE C 13 42.1300 0.5 A 126 LYS CG C 13 24.7100 0.5 A 126 LYS N N 15 122.5690 0.5 A 127 GLU H H 1 8.4590 0.04 A 127 GLU HA H 1 4.3100 0.04 A 127 GLU HBx H 1 1.9900 0.04 A 127 GLU HGx H 1 2.2700 0.04 A 127 GLU C C 13 176.8000 0.5 A 127 GLU CA C 13 56.4740 0.5 A 127 GLU CB C 13 30.6200 0.5 A 127 GLU CG C 13 36.2100 0.5 A 127 GLU N N 15 123.4500 0.5 A 128 GLY H H 1 8.4400 0.04 A 128 GLY CA C 13 45.3000 0.5 A 128 GLY N N 15 110.8000 0.5 A 129 LYS HA H 1 4.2700 0.04 A 129 LYS HBx H 1 2.2500 0.04 A 129 LYS HDx H 1 1.7700 0.04 A 129 LYS HEx H 1 2.9900 0.04 A 129 LYS HGx H 1 1.4100 0.04 A 129 LYS C C 13 176.5160 0.5 A 129 LYS CA C 13 56.4800 0.5 A 129 LYS CB C 13 32.8600 0.5 A 129 LYS CD C 13 30.5900 0.5 A 129 LYS CE C 13 42.0100 0.5 A 129 LYS CG C 13 24.7100 0.5 A 130 LYS H H 1 8.4090 0.04 A 130 LYS HA H 1 4.2700 0.04 A 130 LYS HBx H 1 1.7700 0.04 A 130 LYS HEx H 1 2.9800 0.04 A 130 LYS HGx H 1 1.4200 0.04 A 130 LYS C C 13 176.5450 0.5 A 130 LYS CA C 13 56.4950 0.5 A 130 LYS CB C 13 33.0200 0.5 A 130 LYS CD C 13 29.0200 0.5 A 130 LYS CE C 13 42.1500 0.5 A 130 LYS CG C 13 24.5700 0.5 A 130 LYS N N 15 124.0710 0.5 A 131 GLN H H 1 8.4670 0.04 A 131 GLN HA H 1 4.4400 0.04 A 131 GLN HBx H 1 2.0300 0.04 A 131 GLN HGx H 1 2.3600 0.04 A 131 GLN C C 13 175.8660 0.5 A 131 GLN CA C 13 56.0160 0.5 A 131 GLN CB C 13 29.6630 0.5 A 131 GLN CG C 13 33.5300 0.5 A 131 GLN N N 15 122.7100 0.5 A 132 GLU H H 1 8.4900 0.04 A 132 GLU HA H 1 4.2500 0.04 A 132 GLU HBx H 1 1.9600 0.04 A 132 GLU HGx H 1 2.2600 0.04 A 132 GLU C C 13 176.3540 0.5 A 132 GLU CA C 13 56.5370 0.5 A 132 GLU CB C 13 30.6140 0.5 A 132 GLU CG C 13 36.1100 0.5 A 132 GLU N N 15 123.5860 0.5 A 133 LYS H H 1 8.3730 0.04 A 133 LYS HA H 1 4.2800 0.04 A 133 LYS HBx H 1 1.7600 0.04 A 133 LYS HEx H 1 3.0050 0.04 A 133 LYS HGx H 1 1.4100 0.04 A 133 LYS C C 13 176.2320 0.5 A 133 LYS CA C 13 56.3110 0.5 A 133 LYS CB C 13 33.1370 0.5 A 133 LYS CD C 13 28.8900 0.5 A 133 LYS CE C 13 42.0400 0.5 A 133 LYS CG C 13 24.6200 0.5 A 133 LYS N N 15 123.9180 0.5 A 134 MET H H 1 8.4360 0.04 A 134 MET HA H 1 4.4800 0.04 A 134 MET HBx H 1 2.0500 0.04 A 134 MET HGx H 1 2.5700 0.04 A 134 MET C C 13 175.9460 0.5 A 134 MET CA C 13 55.5630 0.5 A 134 MET CB C 13 32.0100 0.5 A 134 MET CG C 13 30.6200 0.5 A 134 MET N N 15 122.9940 0.5 A 135 LEU H H 1 8.2850 0.04 A 135 LEU HA H 1 4.3800 0.04 A 135 LEU HBx H 1 1.6200 0.04 A 135 LEU HDx% H 1 0.8900 0.04 A 135 LEU HG H 1 1.4200 0.04 A 135 LEU C C 13 176.1580 0.5 A 135 LEU CA C 13 55.2250 0.5 A 135 LEU CB C 13 42.6540 0.5 A 135 LEU CDy C 13 25.0200 0.5 A 135 LEU CDx C 13 23.3600 0.5 A 135 LEU CG C 13 26.7600 0.5 A 135 LEU N N 15 124.4540 0.5 A 136 ASP H H 1 7.8810 0.04 A 136 ASP CA C 13 55.7290 0.5 A 136 ASP CB C 13 42.4150 0.5 A 136 ASP N N 15 126.9470 0.5 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 78 ASP H A 85 THR H 1.0 1.8 4.28 2 2 A 59 TRP H A 59 TRP HE1 1.0 1.8 4.95 3 3 A 78 ASP H A 84 LYS HA 1.0 1.8 4.45 4 4 A 78 ASP H A 77 CYS HA 1.0 1.8 3.51 5 5 A 78 ASP H A 77 CYS HBy 1.0 1.8 4.38 6 6 A 78 ASP H A 77 CYS HBx 1.0 1.8 4.38 7 7 A 78 ASP H A 78 ASP HBx 1.0 1.8 3.73 8 8 A 69 TYR HD% A 90 LEU H 1.0 1.8 4.35 9 9 A 90 LEU H A 89 SER HA 1.0 1.8 3.56 10 10 A 42 ALA H A 41 GLY HAy 1.0 1.8 3.50 11 11 A 42 ALA H A 41 GLY HAx 1.0 1.8 3.50 12 12 A 90 LEU H A 101 LYS HA 1.0 1.8 4.28 13 13 A 90 LEU HBy A 91 LYS H 1.0 1.8 4.72 14 14 A 42 ALA H A 42 ALA HB% 1.0 1.8 3.72 15 15 A 42 ALA H A 42 ALA HB% 1.0 1.8 4.14 16 16 A 90 LEU H A 90 LEU HBy 1.0 1.8 3.74 17 17 A 90 LEU H A 90 LEU HG 1.0 1.8 4.15 18 18 A 79 LEU H A 81 THR H 1.0 1.8 4.64 19 19 A 92 ARG HA A 93 ALA H 1.0 1.8 3.10 20 20 A 135 LEU HA A 136 ASP H 1.0 1.8 2.91 21 21 A 10 VAL HA A 11 LYS H 1.0 1.8 2.44 22 22 A 78 ASP HBx A 79 LEU H 1.0 1.8 4.07 23 23 A 79 LEU H A 79 LEU HG 1.0 1.8 3.60 24 24 A 55 ILE H A 55 ILE HB 1.0 1.8 3.72 25 25 A 11 LYS H A 10 VAL HB 1.0 1.8 3.58 26 26 A 79 LEU H A 79 LEU HDy% 1.0 1.8 3.68 27 27 A 55 ILE H A 54 LYS HGx 1.0 1.8 4.26 28 28 A 55 ILE H A 54 LYS HGy 1.0 1.8 4.26 29 29 A 93 ALA H A 93 ALA HB% 1.0 1.8 3.50 30 30 A 93 ALA H A 93 ALA HB% 1.0 1.8 3.88 31 31 A 11 LYS H A 10 VAL HGy% 1.0 1.8 3.64 32 32 A 11 LYS H A 10 VAL HGy% 1.0 1.8 3.87 33 33 A 20 TRP H A 20 TRP HD1 1.0 1.8 3.97 34 34 A 100 GLN HA A 101 LYS H 1.0 1.8 3.53 35 35 A 20 TRP H A 19 GLN HA 1.0 1.8 3.17 36 36 A 119 ALA H A 119 ALA HA 1.0 1.8 2.67 37 37 A 11 LYS HA A 12 LYS H 1.0 1.8 2.57 38 38 A 51 GLN HA A 52 ARG H 1.0 1.8 3.29 39 39 A 113 THR HA A 114 LYS H 1.0 1.8 2.57 40 40 A 114 LYS H A 113 THR HB 1.0 1.8 3.37 41 41 A 20 TRP H A 20 TRP HBy 1.0 1.8 3.92 42 42 A 20 TRP H A 20 TRP HBx 1.0 1.8 3.92 43 43 A 90 LEU HBy A 101 LYS H 1.0 1.8 4.67 44 44 A 119 ALA H A 119 ALA HB% 1.0 1.8 3.27 45 45 A 114 LYS H A 113 THR HG2% 1.0 1.8 4.96 46 46 A 114 LYS H A 113 THR HG2% 1.0 1.8 5.38 47 47 A 135 LEU H A 135 LEU HDx% 1.0 1.8 6.00 48 48 A 18 TRP H A 18 TRP HE1 1.0 1.8 4.35 49 49 A 86 ARG H A 105 ILE H 1.0 1.8 3.83 50 50 A 37 GLY H A 49 LYS H 1.0 1.8 4.02 51 51 A 65 ALA H A 67 CYS H 1.0 1.8 4.62 52 52 A 18 TRP H A 18 TRP HD1 1.0 1.8 3.93 53 53 A 18 TRP HE3 A 19 GLN H 1.0 1.8 4.41 54 54 A 49 LYS H A 18 TRP HZ3 1.0 1.8 3.85 55 55 A 18 TRP H A 18 TRP HE3 1.0 1.8 4.58 56 56 A 49 LYS H A 48 MET HA 1.0 1.8 3.31 57 57 A 105 ILE H A 104 THR HA 1.0 1.8 3.54 58 58 A 50 THR HA A 51 GLN H 1.0 1.8 3.53 59 59 A 51 GLN H A 36 GLU HA 1.0 1.8 3.98 60 60 A 99 CYS HA A 100 GLN H 1.0 1.8 3.53 61 61 A 13 SER HA A 14 ASP H 1.0 1.8 3.06 62 62 A 130 LYS H A 130 LYS HA 1.0 1.8 2.45 63 63 A 9 LYS H A 9 LYS HA 1.0 1.8 2.49 64 64 A 133 LYS HA A 134 MET H 1.0 1.8 3.02 65 65 A 130 LYS HA A 131 GLN H 1.0 1.8 2.84 66 66 A 135 LEU H A 134 MET HA 1.0 1.8 2.92 67 67 A 111 LYS HA A 112 LEU H 1.0 1.8 2.40 68 68 A 133 LYS HA A 133 LYS H 1.0 1.8 2.66 69 69 A 9 LYS HA A 10 VAL H 1.0 1.8 2.44 70 70 A 105 ILE H A 104 THR HB 1.0 1.8 4.07 71 71 A 79 LEU HA A 82 ALA H 1.0 1.8 4.27 72 72 A 116 LYS H A 117 PRO HDy 1.0 1.8 4.31 73 73 A 116 LYS H A 117 PRO HDx 1.0 1.8 4.31 74 74 A 18 TRP H A 17 GLU HA 1.0 1.8 3.05 75 75 A 18 TRP H A 18 TRP HBx 1.0 1.8 3.64 76 76 A 100 GLN H A 100 GLN HBy 1.0 1.8 3.97 77 77 A 116 LYS H A 115 PRO HBy 1.0 1.8 3.58 78 78 A 49 LYS H A 48 MET HBy 1.0 1.8 4.13 79 79 A 49 LYS H A 48 MET HBx 1.0 1.8 4.13 80 80 A 105 ILE H A 105 ILE HB 1.0 1.8 4.19 81 81 A 100 GLN H A 100 GLN HBx 1.0 1.8 3.97 82 82 A 82 ALA H A 82 ALA HB% 1.0 1.8 4.10 83 83 A 18 TRP H A 17 GLU HBy 1.0 1.8 3.61 84 84 A 18 TRP H A 17 GLU HBx 1.0 1.8 3.61 85 85 A 86 ARG H A 85 THR HG2% 1.0 1.8 3.47 86 86 A 51 GLN H A 50 THR HG2% 1.0 1.8 3.73 87 87 A 82 ALA H A 83 LEU HG 1.0 1.8 3.99 88 88 A 49 LYS H A 38 THR HG2% 1.0 1.8 4.51 89 89 A 112 LEU H A 112 LEU HDx% 1.0 1.8 4.09 90 90 A 68 LYS H A 68 LYS HGy 1.0 1.8 4.54 91 91 A 68 LYS H A 68 LYS HGx 1.0 1.8 4.54 92 92 A 35 ARG H A 36 GLU H 1.0 1.8 4.83 93 93 A 36 GLU H A 21 SER H 1.0 1.8 5.09 94 94 A 91 LYS H A 70 GLN H 1.0 1.8 4.48 95 95 A 84 LYS H A 109 CYS H 1.0 1.8 4.47 96 96 A 95 HIS H A 97 ALA H 1.0 1.8 4.61 97 97 A 26 THR H A 34 THR H 1.0 1.8 5.24 98 98 A 60 LYS H A 61 LYS H 1.0 1.8 4.38 99 99 A 59 TRP H A 60 LYS H 1.0 1.8 4.57 100 100 A 59 TRP H A 59 TRP HD1 1.0 1.8 3.88 101 101 A 69 TYR HD% A 70 GLN H 1.0 1.8 4.19 102 102 A 18 TRP HH2 A 48 MET H 1.0 1.8 4.51 103 103 A 84 LYS H A 85 THR HA 1.0 1.8 5.24 104 104 A 6 PRO HA A 7 GLU H 1.0 1.8 2.64 105 105 A 117 PRO HA A 118 GLN H 1.0 1.8 2.56 106 106 A 119 ALA HA A 120 GLU H 1.0 1.8 2.54 107 107 A 72 GLN HA A 73 ALA H 1.0 1.8 3.19 108 108 A 126 LYS H A 126 LYS HA 1.0 1.8 2.79 109 109 A 8 LYS H A 8 LYS HA 1.0 1.8 2.70 110 110 A 98 GLU HA A 99 CYS H 1.0 1.8 3.15 111 111 A 59 TRP H A 58 ASN HA 1.0 1.8 3.26 112 112 A 48 MET H A 47 THR HB 1.0 1.8 4.00 113 113 A 26 THR H A 26 THR HB 1.0 1.8 3.80 114 114 A 26 THR H A 27 SER HBx 1.0 1.8 4.99 115 115 A 26 THR H A 27 SER HBy 1.0 1.8 4.99 116 116 A 61 LYS H A 60 LYS HA 1.0 1.8 3.21 117 117 A 70 GLN H A 69 TYR HBy 1.0 1.8 4.14 118 118 A 72 GLN H A 71 PHE HBy 1.0 1.8 4.25 119 119 A 99 CYS H A 99 CYS HBy 1.0 1.8 4.03 120 120 A 22 VAL HB A 23 CYS H 1.0 1.8 3.56 121 121 A 73 ALA H A 72 GLN HGy 1.0 1.8 3.57 122 122 A 73 ALA H A 72 GLN HGx 1.0 1.8 3.57 123 123 A 72 GLN H A 71 PHE HBx 1.0 1.8 4.25 124 124 A 72 GLN H A 72 GLN HGy 1.0 1.8 3.87 125 125 A 72 GLN H A 72 GLN HGx 1.0 1.8 3.87 126 126 A 99 CYS H A 99 CYS HBx 1.0 1.8 4.03 127 127 A 48 MET H A 48 MET HBx 1.0 1.8 4.02 128 128 A 48 MET H A 48 MET HBy 1.0 1.8 4.02 129 129 A 119 ALA HB% A 120 GLU H 1.0 1.8 4.01 130 130 A 119 ALA HB% A 120 GLU H 1.0 1.8 4.50 131 131 A 97 ALA H A 97 ALA HB% 1.0 1.8 3.20 132 132 A 23 CYS H A 22 VAL HGy% 1.0 1.8 4.08 133 133 A 90 LEU HG A 99 CYS H 1.0 1.8 4.35 134 134 A 99 CYS H A 90 LEU HD21 1.0 1.8 5.17 135 135 A 99 CYS H A 90 LEU HD21 1.0 1.8 5.47 136 136 A 45 LYS H A 46 GLN H 1.0 1.8 4.57 137 137 A 42 ALA H A 44 CYS H 1.0 1.8 4.37 138 138 A 35 ARG H A 53 CYS H 1.0 1.8 4.62 139 139 A 21 SER H A 20 TRP HE3 1.0 1.8 4.54 140 140 A 18 TRP HZ3 A 39 ARG H 1.0 1.8 4.21 141 141 A 39 ARG H A 38 THR HA 1.0 1.8 3.48 142 142 A 35 ARG H A 34 THR HA 1.0 1.8 3.54 143 143 A 53 CYS H A 34 THR HA 1.0 1.8 3.80 144 144 A 35 ARG H A 52 ARG HA 1.0 1.8 4.31 145 145 A 97 ALA HA A 98 GLU H 1.0 1.8 3.14 146 146 A 27 SER HA A 29 ASP H 1.0 1.8 4.32 147 147 A 61 LYS HA A 62 GLN H 1.0 1.8 3.21 148 148 A 62 GLN H A 63 PHE HA 1.0 1.8 3.89 149 149 A 53 CYS H A 52 ARG HA 1.0 1.8 3.17 150 150 A 39 ARG H A 47 THR HA 1.0 1.8 5.04 151 151 A 62 GLN HA A 63 PHE H 1.0 1.8 3.24 152 152 A 44 CYS H A 43 GLU HA 1.0 1.8 3.17 153 153 A 44 CYS H A 42 ALA HA 1.0 1.8 4.11 154 154 A 35 ARG H A 34 THR HB 1.0 1.8 3.76 155 155 A 29 ASP H A 28 GLY HAy 1.0 1.8 3.45 156 156 A 29 ASP H A 28 GLY HAx 1.0 1.8 3.45 157 157 A 53 CYS H A 34 THR HB 1.0 1.8 5.66 158 158 A 21 SER H A 20 TRP HBy 1.0 1.8 4.49 159 159 A 21 SER H A 20 TRP HBx 1.0 1.8 4.49 160 160 A 29 ASP H A 29 ASP HBy 1.0 1.8 4.07 161 161 A 74 TRP H A 74 TRP HBy 1.0 1.8 3.68 162 162 A 74 TRP H A 74 TRP HBx 1.0 1.8 3.68 163 163 A 63 PHE H A 63 PHE HBy 1.0 1.8 3.64 164 164 A 63 PHE H A 63 PHE HBx 1.0 1.8 3.64 165 165 A 29 ASP H A 29 ASP HBx 1.0 1.8 4.07 166 166 A 46 GLN H A 46 GLN HGy 1.0 1.8 4.21 167 167 A 97 ALA HB% A 98 GLU H 1.0 1.8 3.33 168 168 A 54 LYS H A 54 LYS HBy 1.0 1.8 4.16 169 169 A 54 LYS H A 54 LYS HBx 1.0 1.8 4.16 170 170 A 74 TRP H A 73 ALA HB% 1.0 1.8 4.13 171 171 A 74 TRP H A 73 ALA HB% 1.0 1.8 4.41 172 172 A 54 LYS H A 54 LYS HGy 1.0 1.8 4.51 173 173 A 53 CYS H A 34 THR HG2% 1.0 1.8 5.01 174 174 A 53 CYS H A 34 THR HG2% 1.0 1.8 5.71 175 175 A 38 THR HG2% A 39 ARG H 1.0 1.8 5.46 176 176 A 46 GLN H A 47 THR HG2% 1.0 1.8 6.00 177 177 A 46 GLN H A 47 THR HG2% 1.0 1.8 6.00 178 178 A 93 ALA HB% A 92 ARG H 1.0 1.8 6.00 179 179 A 88 GLY H A 103 VAL H 1.0 1.8 3.92 180 180 A 15 CYS H A 16 GLY H 1.0 1.8 3.38 181 181 A 78 ASP H A 83 LEU H 1.0 1.8 4.09 182 182 A 81 THR H A 83 LEU H 1.0 1.8 4.06 183 183 A 109 CYS H A 108 PRO HA 1.0 1.8 3.30 184 184 A 103 VAL H A 102 THR HA 1.0 1.8 3.17 185 185 A 105 ILE HA A 106 SER H 1.0 1.8 3.26 186 186 A 49 LYS HA A 50 THR H 1.0 1.8 3.07 187 187 A 103 VAL HA A 104 THR H 1.0 1.8 3.20 188 188 A 12 LYS HA A 13 SER H 1.0 1.8 3.33 189 189 A 120 GLU HA A 121 SER H 1.0 1.8 3.54 190 190 A 15 CYS H A 14 ASP HA 1.0 1.8 3.13 191 191 A 83 LEU H A 81 THR HA 1.0 1.8 4.90 192 192 A 87 THR H A 87 THR HB 1.0 1.8 3.40 193 193 A 50 THR H A 50 THR HB 1.0 1.8 3.52 194 194 A 104 THR HB A 104 THR H 1.0 1.8 3.16 195 195 A 103 VAL H A 102 THR HB 1.0 1.8 3.67 196 196 A 83 LEU H A 82 ALA HA 1.0 1.8 3.50 197 197 A 109 CYS H A 109 CYS HBy 1.0 1.8 4.04 198 198 A 109 CYS H A 109 CYS HBx 1.0 1.8 4.04 199 199 A 87 THR H A 72 GLN HGy 1.0 1.8 4.62 200 200 A 87 THR H A 72 GLN HGx 1.0 1.8 4.62 201 201 A 78 ASP HBx A 83 LEU H 1.0 1.8 4.34 202 202 A 65 ALA HB% A 66 GLU H 1.0 1.8 3.69 203 203 A 65 ALA HB% A 66 GLU H 1.0 1.8 4.04 204 204 A 105 ILE HB A 106 SER H 1.0 1.8 3.78 205 205 A 17 GLU H A 17 GLU HBy 1.0 1.8 3.32 206 206 A 17 GLU H A 17 GLU HBx 1.0 1.8 3.32 207 207 A 82 ALA HB% A 109 CYS H 1.0 1.8 5.01 208 208 A 104 THR H A 103 VAL HB 1.0 1.8 3.60 209 209 A 106 SER H A 105 ILE HG2% 1.0 1.8 4.60 210 210 A 106 SER H A 105 ILE HG2% 1.0 1.8 5.07 211 211 A 83 LEU HG A 109 CYS H 1.0 1.8 4.53 212 212 A 83 LEU HG A 83 LEU H 1.0 1.8 3.65 213 213 A 103 VAL H A 103 VAL HGx% 1.0 1.8 5.18 214 214 A 103 VAL H A 103 VAL HGx% 1.0 1.8 5.69 215 215 A 104 THR H A 103 VAL HGy% 1.0 1.8 4.96 216 216 A 103 VAL H A 103 VAL HGy% 1.0 1.8 4.13 217 217 A 103 VAL H A 103 VAL HGy% 1.0 1.8 4.27 218 218 A 70 GLN H A 89 SER H 1.0 1.8 3.90 219 219 A 46 GLN H A 47 THR H 1.0 1.8 4.34 220 220 A 48 MET H A 47 THR H 1.0 1.8 4.79 221 221 A 37 GLY H A 20 TRP HZ3 1.0 1.8 4.30 222 222 A 69 TYR HD% A 89 SER H 1.0 1.8 4.38 223 223 A 37 GLY H A 50 THR HA 1.0 1.8 4.18 224 224 A 112 LEU HA A 113 THR H 1.0 1.8 2.70 225 225 A 113 THR HB A 113 THR H 1.0 1.8 3.50 226 226 A 82 ALA HA A 80 ASN H 1.0 1.8 5.76 227 227 A 26 THR HB A 27 SER H 1.0 1.8 3.02 228 228 A 27 SER H A 27 SER HBx 1.0 1.8 3.67 229 229 A 27 SER H A 27 SER HBy 1.0 1.8 3.67 230 230 A 80 ASN H A 78 ASP HA 1.0 1.8 4.54 231 231 A 80 ASN H A 80 ASN HBy 1.0 1.8 3.42 232 232 A 80 ASN H A 80 ASN HBx 1.0 1.8 3.42 233 233 A 78 ASP HBx A 80 ASN H 1.0 1.8 4.58 234 234 A 76 GLU H A 76 GLU HBy 1.0 1.8 3.38 235 235 A 22 VAL HB A 22 VAL H 1.0 1.8 3.68 236 236 A 79 LEU HG A 80 ASN H 1.0 1.8 4.04 237 237 A 76 GLU H A 76 GLU HBx 1.0 1.8 3.38 238 238 A 27 SER H A 26 THR HG2% 1.0 1.8 3.75 239 239 A 113 THR HG2% A 113 THR H 1.0 1.8 3.71 240 240 A 113 THR H A 112 LEU HD21 1.0 1.8 5.21 241 241 A 22 VAL HGy% A 22 VAL H 1.0 1.8 3.18 242 242 A 19 GLN H A 38 THR H 1.0 1.8 3.94 243 243 A 18 TRP HE3 A 38 THR H 1.0 1.8 4.09 244 244 A 85 THR H A 77 CYS HA 1.0 1.8 4.39 245 245 A 85 THR H A 85 THR HB 1.0 1.8 4.01 246 246 A 30 CYS H A 28 GLY HAy 1.0 1.8 4.68 247 247 A 30 CYS H A 28 GLY HAx 1.0 1.8 4.68 248 248 A 85 THR H A 85 THR HG2% 1.0 1.8 4.96 249 249 A 85 THR H A 85 THR HG2% 1.0 1.8 5.13 250 250 A 30 CYS H A 55 ILE HD1% 1.0 1.8 4.64 251 251 A 34 THR H A 24 VAL H 1.0 1.8 3.99 252 252 A 30 CYS H A 28 GLY H 1.0 1.8 4.81 253 253 A 104 THR HA A 88 GLY H 1.0 1.8 4.42 254 254 A 16 GLY H A 15 CYS HA 1.0 1.8 3.47 255 255 A 27 SER HA A 28 GLY H 1.0 1.8 2.90 256 256 A 88 GLY H A 87 THR HB 1.0 1.8 4.15 257 257 A 88 GLY H A 87 THR HG2% 1.0 1.8 4.63 258 258 A 88 GLY H A 87 THR HG2% 1.0 1.8 5.19 259 259 A 88 GLY H A 87 THR HG2% 1.0 1.8 5.17 260 260 A 34 THR H A 34 THR HG2% 1.0 1.8 4.40 261 261 A 34 THR H A 34 THR HG2% 1.0 1.8 4.56 262 262 A 27 SER H A 31 GLY H 1.0 1.8 4.29 263 263 A 16 GLY H A 40 THR H 1.0 1.8 4.19 264 264 A 53 CYS H A 33 GLY H 1.0 1.8 4.02 265 265 A 74 TRP HA A 75 GLY H 1.0 1.8 3.55 266 266 A 63 PHE HA A 64 GLY H 1.0 1.8 2.90 267 267 A 127 GLU HA A 128 GLY H 1.0 1.8 3.03 268 268 A 40 THR H A 39 ARG HA 1.0 1.8 3.25 269 269 A 40 THR H A 40 THR HB 1.0 1.8 3.67 270 270 A 40 THR HA A 41 GLY H 1.0 1.8 2.95 271 271 A 40 THR HB A 41 GLY H 1.0 1.8 3.20 272 272 A 100 GLN HA A 102 THR H 1.0 1.8 4.23 273 273 A 75 GLY H A 74 TRP HBy 1.0 1.8 4.38 274 274 A 75 GLY H A 74 TRP HBx 1.0 1.8 4.38 275 275 A 63 PHE HBy A 64 GLY H 1.0 1.8 4.26 276 276 A 63 PHE HBx A 64 GLY H 1.0 1.8 4.26 277 277 A 55 ILE HB A 31 GLY H 1.0 1.8 4.04 278 278 A 40 THR H A 40 THR HG2% 1.0 1.8 4.29 279 279 A 102 THR H A 102 THR HG2% 1.0 1.8 4.06 280 280 A 103 VAL HGx% A 102 THR H 1.0 1.8 4.45 281 281 A 81 THR H A 80 ASN H 1.0 1.8 3.69 282 282 A 81 THR H A 82 ALA H 1.0 1.8 3.81 283 283 A 81 THR H A 82 ALA HA 1.0 1.8 4.10 284 284 A 81 THR H A 80 ASN HBy 1.0 1.8 4.13 285 285 A 81 THR H A 80 ASN HBx 1.0 1.8 4.13 286 286 A 81 THR H A 79 LEU HBx 1.0 1.8 5.36 287 287 A 81 THR H A 79 LEU HBy 1.0 1.8 5.36 288 288 A 81 THR H A 79 LEU HG 1.0 1.8 5.47 289 289 A 81 THR H A 81 THR HG2% 1.0 1.8 3.57 290 290 A 90 LEU H A 101 LYS H 1.0 1.8 4.66 291 291 A 86 ARG H A 85 THR HB 1.0 1.8 3.61 292 292 A 51 GLN H A 50 THR HB 1.0 1.8 3.74 293 293 A 39 ARG H A 38 THR HB 1.0 1.8 3.88 294 294 A 47 THR HB A 39 ARG H 1.0 1.8 3.76 295 295 A 102 THR HB A 102 THR H 1.0 1.8 3.72 296 296 A 104 THR HB A 103 VAL HA 1.0 1.8 4.18 297 297 A 26 THR HB A 32 LEU HA 1.0 1.8 4.29 298 298 A 26 THR HG2% A 26 THR HA 1.0 1.8 4.04 299 299 A 23 CYS H A 22 VAL HA 1.0 1.8 3.32 300 300 A 34 THR HA A 52 ARG HA 1.0 1.8 3.89 301 301 A 104 THR HA A 104 THR HG2% 1.0 1.8 3.70 302 302 A 104 THR HA A 104 THR HG2% 1.0 1.8 4.19 303 303 A 113 THR HA A 113 THR HG2% 1.0 1.8 4.08 304 304 A 81 THR HA A 81 THR HG2% 1.0 1.8 3.62 305 305 A 10 VAL HA A 10 VAL HGy% 1.0 1.8 3.74 306 306 A 10 VAL HA A 10 VAL HGy% 1.0 1.8 4.16 307 307 A 26 THR HG2% A 27 SER HBy 1.0 1.8 4.56 308 308 A 108 PRO HA A 83 LEU HDx% 1.0 1.8 4.19 309 309 A 108 PRO HA A 83 LEU HDy% 1.0 1.8 4.47 310 310 A 91 LYS H A 69 TYR HA 1.0 1.8 4.45 311 311 A 121 SER HA A 122 LYS H 1.0 1.8 3.35 312 312 A 8 LYS H A 7 GLU HA 1.0 1.8 2.21 313 313 A 79 LEU HA A 80 ASN H 1.0 1.8 3.44 314 314 A 59 TRP HD1 A 59 TRP HA 1.0 1.8 4.65 315 315 A 101 LYS HA A 100 GLN HA 1.0 1.8 4.40 316 316 A 89 SER HA A 90 LEU HBy 1.0 1.8 4.31 317 317 A 101 LYS HA A 90 LEU HBy 1.0 1.8 3.46 318 318 A 105 ILE HA A 105 ILE HG2% 1.0 1.8 4.07 319 319 A 105 ILE HA A 105 ILE HG2% 1.0 1.8 3.87 320 320 A 40 THR HA A 40 THR HG2% 1.0 1.8 3.66 321 321 A 40 THR HA A 40 THR HG2% 1.0 1.8 3.56 322 322 A 103 VAL HA A 102 THR HG2% 1.0 1.8 4.30 323 323 A 27 SER HA A 26 THR HG2% 1.0 1.8 4.39 324 324 A 55 ILE HA A 55 ILE HG2% 1.0 1.8 4.07 325 325 A 101 LYS HA A 102 THR HG2% 1.0 1.8 5.27 326 326 A 85 THR H A 84 LYS HA 1.0 1.8 3.44 327 327 A 109 CYS H A 83 LEU HA 1.0 1.8 4.35 328 328 A 68 LYS HA A 69 TYR H 1.0 1.8 3.19 329 329 A 33 GLY H A 32 LEU HA 1.0 1.8 3.31 330 330 A 97 ALA H A 96 ASN HA 1.0 1.8 2.66 331 331 A 74 TRP H A 73 ALA HA 1.0 1.8 3.32 332 332 A 47 THR HB A 39 ARG HA 1.0 1.8 4.70 333 333 A 72 GLN HA A 72 GLN HGy 1.0 1.8 3.67 334 334 A 72 GLN HA A 72 GLN HGx 1.0 1.8 3.67 335 335 A 119 ALA HA A 119 ALA HB% 1.0 1.8 2.98 336 336 A 83 LEU HG A 83 LEU HA 1.0 1.8 4.10 337 337 A 83 LEU HDy% A 83 LEU HA 1.0 1.8 4.67 338 338 A 32 LEU HA A 32 LEU HDx% 1.0 1.8 4.12 339 339 A 94 LEU HA A 94 LEU HDx% 1.0 1.8 4.16 340 340 A 86 ARG H A 105 ILE HB 1.0 1.8 5.12 341 341 A 81 THR HG2% A 80 ASN HBx 1.0 1.8 4.40 342 342 A 55 ILE H A 54 LYS HBy 1.0 1.8 4.35 343 343 A 55 ILE H A 54 LYS HBx 1.0 1.8 4.35 344 344 A 46 GLN H A 46 GLN HGx 1.0 1.8 4.21 345 345 A 10 VAL HB A 10 VAL H 1.0 1.8 3.47 346 346 A 46 GLN HA A 46 GLN HGy 1.0 1.8 4.18 347 347 A 10 VAL HB A 9 LYS HA 1.0 1.8 4.97 348 348 A 95 HIS H A 94 LEU HG 1.0 1.8 3.93 349 349 A 69 TYR HD% A 90 LEU HG 1.0 1.8 5.52 350 350 A 94 LEU HA A 94 LEU HG 1.0 1.8 4.05 351 351 A 101 LYS HA A 90 LEU HG 1.0 1.8 4.19 352 352 A 90 LEU HG A 99 CYS HBy 1.0 1.8 4.32 353 353 A 90 LEU HG A 99 CYS HBx 1.0 1.8 4.32 354 354 A 26 THR H A 26 THR HG2% 1.0 1.8 4.88 355 355 A 26 THR H A 26 THR HG2% 1.0 1.8 4.82 356 356 A 87 THR H A 87 THR HG2% 1.0 1.8 5.29 357 357 A 87 THR H A 87 THR HG2% 1.0 1.8 5.87 358 358 A 87 THR H A 87 THR HG2% 1.0 1.8 6.00 359 359 A 34 THR HG2% A 33 GLY H 1.0 1.8 6.00 360 360 A 34 THR HG2% A 33 GLY H 1.0 1.8 6.00 361 361 A 105 ILE H A 104 THR HG2% 1.0 1.8 5.00 362 362 A 104 THR H A 104 THR HG2% 1.0 1.8 5.16 363 363 A 104 THR H A 104 THR HG2% 1.0 1.8 5.69 364 364 A 95 HIS H A 94 LEU HDx% 1.0 1.8 5.17 365 365 A 95 HIS H A 94 LEU HDy% 1.0 1.8 4.93 366 366 A 109 CYS H A 83 LEU HDx% 1.0 1.8 4.80 367 367 A 109 CYS H A 83 LEU HDy% 1.0 1.8 5.11 368 368 A 90 LEU H A 90 LEU HD21 1.0 1.8 5.54 369 369 A 104 THR H A 103 VAL HGx% 1.0 1.8 4.97 370 370 A 104 THR H A 103 VAL HGx% 1.0 1.8 5.03 371 371 A 103 VAL H A 102 THR HG2% 1.0 1.8 4.42 372 372 A 35 ARG H A 34 THR HG2% 1.0 1.8 4.73 373 373 A 35 ARG H A 34 THR HG2% 1.0 1.8 5.22 374 374 A 46 GLN H A 47 THR HG2% 1.0 1.8 5.74 375 375 A 68 LYS H A 90 LEU HDx% 1.0 1.8 4.75 376 376 A 68 LYS H A 90 LEU HD21 1.0 1.8 5.12 377 376 A 68 LYS H A 90 LEU HDx% 1.0 1.8 5.12 378 377 A 18 TRP HZ3 A 38 THR HG2% 1.0 1.8 4.53 379 378 A 69 TYR HE% A 90 LEU HD21 1.0 1.8 5.00 380 379 A 69 TYR HD% A 103 VAL HGx% 1.0 1.8 5.27 381 380 A 38 THR HG2% A 38 THR HA 1.0 1.8 3.99 382 381 A 36 GLU HA A 50 THR HG2% 1.0 1.8 4.15 383 382 A 92 ARG HA A 93 ALA HB% 1.0 1.8 5.79 384 383 A 92 ARG HA A 93 ALA HB% 1.0 1.8 6.00 385 384 A 22 VAL HGy% A 21 SER HA 1.0 1.8 4.50 386 385 A 22 VAL HGy% A 22 VAL HA 1.0 1.8 4.02 387 386 A 32 LEU HA A 32 LEU HDx% 1.0 1.8 5.35 388 387 A 32 LEU HA A 32 LEU HDy% 1.0 1.8 6.00 389 388 A 32 LEU HA A 32 LEU HDy% 1.0 1.8 5.98 390 389 A 63 PHE HA A 103 VAL HGx% 1.0 1.8 6.00 391 390 A 63 PHE HA A 103 VAL HGx% 1.0 1.8 6.00 392 391 A 26 THR HG2% A 27 SER HBx 1.0 1.8 4.56 393 392 A 79 LEU HA A 79 LEU HDx% 1.0 1.8 5.57 394 393 A 79 LEU HDy% A 79 LEU HA 1.0 1.8 6.00 395 394 A 90 LEU HD21 A 99 CYS HBy 1.0 1.8 4.80 396 395 A 65 ALA H A 65 ALA HB% 1.0 1.8 4.03 397 396 A 82 ALA HB% A 110 GLY H 1.0 1.8 6.00 398 397 A 23 CYS H A 22 VAL HG11 1.0 1.8 5.24 399 398 A 105 ILE H A 105 ILE HG2% 1.0 1.8 4.96 400 399 A 99 CYS H A 97 ALA HB% 1.0 1.8 6.00 401 400 A 81 THR H A 82 ALA HB% 1.0 1.8 4.98 402 401 A 105 ILE HG2% A 63 PHE HE% 1.0 1.8 5.05 403 402 A 103 VAL HGy% A 63 PHE HD% 1.0 1.8 5.16 404 403 A 69 TYR HD% A 103 VAL HGy% 1.0 1.8 5.06 405 404 A 69 TYR HD% A 103 VAL HGy% 1.0 1.8 5.37 406 405 A 82 ALA HB% A 83 LEU HA 1.0 1.8 5.25 407 406 A 72 GLN HA A 73 ALA HB% 1.0 1.8 5.31 408 407 A 82 ALA HB% A 81 THR HA 1.0 1.8 4.78 409 408 A 21 SER HA A 22 VAL HG11 1.0 1.8 4.80 410 409 A 21 SER HA A 22 VAL HG11 1.0 1.8 5.29 411 410 A 105 ILE HG2% A 103 VAL HGx% 1.0 1.8 6.00 412 411 A 105 ILE HG2% A 103 VAL HGy% 1.0 1.8 6.00 413 412 A 105 ILE HG2% A 103 VAL HGy% 1.0 1.8 6.00 414 413 A 27 SER H A 55 ILE HD1% 1.0 1.8 6.00 415 414 A 55 ILE H A 55 ILE HD1% 1.0 1.8 6.00 416 415 A 55 ILE H A 55 ILE HD1% 1.0 1.8 6.00 417 416 A 106 SER H A 105 ILE HD1% 1.0 1.8 6.00 418 417 A 106 SER H A 105 ILE HD1% 1.0 1.8 6.00 419 418 A 101 LYS HA A 69 TYR HE% 1.0 1.8 5.63 420 419 A 24 VAL HA A 24 VAL HGx% 1.0 1.8 4.21 421 420 A 36 GLU HA A 35 ARG H 1.0 1.8 4.60 422 421 A 36 GLU HA A 20 TRP HZ3 1.0 1.8 5.90 423 422 A 102 THR HA A 103 VAL HGx% 1.0 1.8 5.22 424 423 A 92 ARG H A 90 LEU HA 1.0 1.8 4.84 425 424 A 42 ALA HB% A 43 GLU H 1.0 1.8 4.50 426 425 A 42 ALA HB% A 43 GLU H 1.0 1.8 5.03 427 426 A 55 ILE HB A 55 ILE HD1% 1.0 1.8 3.93 428 427 A 55 ILE HB A 55 ILE HD1% 1.0 1.8 4.16 429 428 A 63 PHE HA A 63 PHE HD% 1.0 1.8 3.41 430 429 A 69 TYR HD% A 69 TYR HA 1.0 1.8 3.87 431 430 A 63 PHE HBy A 63 PHE HD% 1.0 1.8 3.56 432 431 A 63 PHE HBx A 63 PHE HD% 1.0 1.8 3.56 433 432 A 69 TYR HD% A 90 LEU HA 1.0 1.8 3.85 434 433 A 69 TYR HD% A 90 LEU HBy 1.0 1.8 4.97 435 434 A 69 TYR HD% A 90 LEU HDx% 1.0 1.8 4.28 436 435 A 69 TYR HE% A 63 PHE HD% 1.0 1.8 4.11 437 436 A 103 VAL HB A 63 PHE HE% 1.0 1.8 4.07 438 437 A 20 TRP HD1 A 20 TRP HA 1.0 1.8 4.97 439 438 A 18 TRP HD1 A 18 TRP HBx 1.0 1.8 3.61 440 439 A 20 TRP HD1 A 20 TRP HBy 1.0 1.8 3.47 441 440 A 20 TRP HD1 A 20 TRP HBx 1.0 1.8 3.47 442 441 A 48 MET HA A 18 TRP HH2 1.0 1.8 3.96 443 442 A 59 TRP HA A 59 TRP HE3 1.0 1.8 4.24 444 443 A 18 TRP HZ3 A 48 MET HA 1.0 1.8 3.70 445 444 A 20 TRP HE3 A 20 TRP HA 1.0 1.8 3.67 446 445 A 20 TRP HE3 A 37 GLY HAy 1.0 1.8 4.26 447 446 A 20 TRP HE3 A 37 GLY HAx 1.0 1.8 4.26 448 447 A 89 SER HA A 69 TYR HE% 1.0 1.8 3.79 449 448 A 18 TRP HZ3 A 39 ARG HA 1.0 1.8 5.30 450 449 A 69 TYR HA A 69 TYR HE% 1.0 1.8 4.05 451 450 A 69 TYR HE% A 90 LEU HA 1.0 1.8 3.92 452 451 A 90 LEU HBy A 69 TYR HE% 1.0 1.8 4.00 453 452 A 90 LEU HG A 69 TYR HE% 1.0 1.8 4.87 454 453 A 90 LEU HDx% A 69 TYR HE% 1.0 1.8 3.62 455 454 A 103 VAL HGx% A 63 PHE HE% 1.0 1.8 4.35 456 455 A 105 ILE HG2% A 63 PHE HE% 1.0 1.8 4.24 457 456 A 34 THR H A 25 PRO HA 1.0 1.8 4.83 458 457 A 102 THR HA A 103 VAL HGy% 1.0 1.8 4.50 459 458 A 18 TRP HE3 A 38 THR HA 1.0 1.8 4.56 460 459 A 105 ILE HA A 105 ILE HD1% 1.0 1.8 5.19 461 460 A 105 ILE HA A 105 ILE HD1% 1.0 1.8 5.63 462 461 A 69 TYR HD% A 89 SER HA 1.0 1.8 4.62 463 462 A 52 ARG HA A 34 THR HG2% 1.0 1.8 3.79 464 463 A 48 MET HA A 38 THR HG2% 1.0 1.8 4.72 465 464 A 10 VAL HGy% A 11 LYS HA 1.0 1.8 4.79 466 465 A 10 VAL HGy% A 11 LYS HA 1.0 1.8 4.97 467 466 A 39 ARG HA A 38 THR HB 1.0 1.8 4.78 468 467 A 115 PRO HBx A 117 PRO HDx 1.0 1.8 3.67 469 468 A 115 PRO HBx A 117 PRO HDy 1.0 1.8 3.67 470 469 A 46 GLN HA A 46 GLN HGx 1.0 1.8 4.18 471 470 A 90 LEU HG A 99 CYS HA 1.0 1.8 5.50 472 471 A 54 LYS H A 54 LYS HGx 1.0 1.8 4.51 473 472 A 33 GLY H A 32 LEU HDx% 1.0 1.8 3.62 474 473 A 84 LYS H A 83 LEU HDy% 1.0 1.8 4.25 475 474 A 83 LEU H A 83 LEU HDx% 1.0 1.8 5.42 476 475 A 83 LEU H A 83 LEU HDy% 1.0 1.8 5.68 477 476 A 37 GLY H A 50 THR HG2% 1.0 1.8 4.53 478 477 A 37 GLY H A 50 THR HG2% 1.0 1.8 4.65 479 478 A 105 ILE H A 104 THR HG2% 1.0 1.8 3.72 480 479 A 50 THR HG2% A 36 GLU H 1.0 1.8 4.89 481 480 A 80 ASN H A 81 THR HG2% 1.0 1.8 3.92 482 481 A 93 ALA HB% A 94 LEU H 1.0 1.8 3.87 483 482 A 38 THR HG2% A 38 THR H 1.0 1.8 3.87 484 483 A 38 THR HG2% A 38 THR H 1.0 1.8 4.04 485 484 A 38 THR HG2% A 39 ARG H 1.0 1.8 4.55 486 485 A 41 GLY H A 40 THR HG2% 1.0 1.8 3.32 487 486 A 102 THR H A 102 THR HG2% 1.0 1.8 3.95 488 487 A 92 ARG H A 90 LEU HD21 1.0 1.8 4.50 489 487 A 92 ARG H A 90 LEU HDx% 1.0 1.8 4.50 490 488 A 103 VAL HGx% A 63 PHE HD% 1.0 1.8 4.67 491 489 A 103 VAL HGx% A 63 PHE HE% 1.0 1.8 4.63 492 490 A 85 THR HG2% A 85 THR HA 1.0 1.8 4.09 493 491 A 50 THR HA A 50 THR HG2% 1.0 1.8 3.58 494 492 A 50 THR HA A 50 THR HG2% 1.0 1.8 4.11 495 493 A 87 THR HG2% A 87 THR HA 1.0 1.8 3.63 496 494 A 87 THR HG2% A 87 THR HA 1.0 1.8 4.05 497 495 A 89 SER HA A 103 VAL HGx% 1.0 1.8 4.91 498 496 A 102 THR HA A 103 VAL HGx% 1.0 1.8 5.47 499 497 A 34 THR HA A 34 THR HG2% 1.0 1.8 3.32 500 498 A 47 THR HA A 47 THR HG2% 1.0 1.8 3.46 501 499 A 47 THR HA A 47 THR HG2% 1.0 1.8 3.69 502 500 A 103 VAL HA A 103 VAL HGx% 1.0 1.8 3.74 503 501 A 91 LYS HA A 90 LEU HD21 1.0 1.8 4.86 504 501 A 90 LEU HDx% A 91 LYS HA 1.0 1.8 4.86 505 502 A 81 THR HA A 81 THR HG2% 1.0 1.8 2.78 506 503 A 101 LYS HA A 90 LEU HDx% 1.0 1.8 5.07 507 504 A 101 LYS HA A 90 LEU HD21 1.0 1.8 5.54 508 505 A 102 THR HB A 102 THR HG2% 1.0 1.8 3.00 509 506 A 90 LEU HDx% A 90 LEU HA 1.0 1.8 4.45 510 507 A 90 LEU HA A 90 LEU HD21 1.0 1.8 4.85 511 507 A 90 LEU HDx% A 90 LEU HA 1.0 1.8 4.85 512 508 A 81 THR HG2% A 80 ASN HBy 1.0 1.8 4.40 513 509 A 99 CYS HBx A 90 LEU HD21 1.0 1.8 4.80 514 510 A 90 LEU HBy A 90 LEU HDx% 1.0 1.8 4.11 515 511 A 90 LEU HBy A 90 LEU HD21 1.0 1.8 4.03 516 512 A 90 LEU HG A 93 ALA HB% 1.0 1.8 4.29 517 513 A 93 ALA HB% A 90 LEU HD21 1.0 1.8 4.31 518 513 A 93 ALA HB% A 90 LEU HDx% 1.0 1.8 4.31 519 514 A 103 VAL HGx% A 103 VAL HGy% 1.0 1.8 3.58 520 515 A 10 VAL H A 10 VAL HGx% 1.0 1.8 4.44 521 516 A 10 VAL H A 10 VAL HGx% 1.0 1.8 4.77 522 517 A 65 ALA H A 65 ALA HB% 1.0 1.8 3.83 523 518 A 73 ALA H A 73 ALA HB% 1.0 1.8 3.26 524 519 A 22 VAL H A 22 VAL HG11 1.0 1.8 3.35 525 520 A 22 VAL H A 22 VAL HG11 1.0 1.8 3.72 526 521 A 67 CYS H A 65 ALA HB% 1.0 1.8 5.71 527 522 A 67 CYS H A 65 ALA HB% 1.0 1.8 6.00 528 523 A 22 VAL HA A 22 VAL HG11 1.0 1.8 3.89 529 524 A 22 VAL HA A 22 VAL HG11 1.0 1.8 4.09 530 525 A 104 THR HA A 105 ILE HG2% 1.0 1.8 4.77 531 526 A 31 GLY H A 55 ILE HG2% 1.0 1.8 4.28 532 527 A 88 GLY H A 103 VAL HGy% 1.0 1.8 4.49 533 528 A 88 GLY H A 103 VAL HGy% 1.0 1.8 4.94 534 529 A 82 ALA H A 82 ALA HB% 1.0 1.8 3.42 535 530 A 55 ILE H A 55 ILE HG2% 1.0 1.8 4.89 536 531 A 30 CYS H A 55 ILE HG2% 1.0 1.8 4.84 537 532 A 82 ALA HB% A 83 LEU H 1.0 1.8 4.60 538 533 A 82 ALA HB% A 83 LEU H 1.0 1.8 5.01 539 534 A 103 VAL HGy% A 63 PHE HE% 1.0 1.8 4.23 540 535 A 89 SER HA A 103 VAL HGy% 1.0 1.8 5.07 541 536 A 103 VAL HA A 103 VAL HGy% 1.0 1.8 4.17 542 537 A 103 VAL HGx% A 103 VAL HGy% 1.0 1.8 3.57 543 538 A 55 ILE HD1% A 31 GLY H 1.0 1.8 4.55 544 539 A 86 ARG H A 105 ILE HD1% 1.0 1.8 5.81 545 540 A 86 ARG H A 105 ILE HD1% 1.0 1.8 6.00 546 541 A 105 ILE H A 105 ILE HD1% 1.0 1.8 5.40 547 542 A 105 ILE H A 105 ILE HD1% 1.0 1.8 6.00 548 543 A 105 ILE H A 105 ILE HD1% 1.0 1.8 5.91 549 544 A 63 PHE HE% A 105 ILE HD1% 1.0 1.8 4.78 550 545 A 55 ILE HD1% A 55 ILE HA 1.0 1.8 4.05 551 546 A 105 ILE HB A 105 ILE HD1% 1.0 1.8 3.74 552 547 A 55 ILE HD1% A 55 ILE HG2% 1.0 1.8 3.38 553 548 A 55 ILE HD1% A 55 ILE HG2% 1.0 1.8 3.72 554 549 A 55 ILE HD1% A 55 ILE HG2% 1.0 1.8 3.76 555 550 A 105 ILE HG2% A 105 ILE HD1% 1.0 1.8 2.93 556 551 A 7 GLU H A 6 PRO HBx 1.0 1.8 3.54 557 551 A 7 GLU H A 6 PRO HBy 1.0 1.8 3.54 558 552 A 7 GLU HA A 7 GLU HGx 1.0 1.8 3.58 559 552 A 7 GLU HA A 7 GLU HGy 1.0 1.8 3.58 560 553 A 8 LYS H A 7 GLU HGx 1.0 1.8 5.11 561 553 A 8 LYS H A 7 GLU HGy 1.0 1.8 5.11 562 554 A 8 LYS H A 8 LYS HBx 1.0 1.8 3.11 563 554 A 8 LYS H A 8 LYS HBy 1.0 1.8 3.11 564 555 A 8 LYS H A 8 LYS HGx 1.0 1.8 4.37 565 555 A 8 LYS H A 8 LYS HGy 1.0 1.8 4.37 566 556 A 8 LYS HA A 8 LYS HGx 1.0 1.8 2.73 567 556 A 8 LYS HA A 8 LYS HGy 1.0 1.8 2.73 568 557 A 9 LYS H A 8 LYS HGx 1.0 1.8 4.22 569 557 A 9 LYS H A 8 LYS HGy 1.0 1.8 4.22 570 558 A 9 LYS H A 9 LYS HGx 1.0 1.8 4.58 571 558 A 9 LYS H A 9 LYS HGy 1.0 1.8 4.58 572 559 A 9 LYS HA A 9 LYS HGx 1.0 1.8 2.89 573 559 A 9 LYS HA A 9 LYS HGy 1.0 1.8 2.89 574 560 A 10 VAL H A 9 LYS HBx 1.0 1.8 3.40 575 560 A 10 VAL H A 9 LYS HBy 1.0 1.8 3.40 576 561 A 10 VAL HA A 9 LYS HBx 1.0 1.8 4.62 577 561 A 10 VAL HA A 9 LYS HBy 1.0 1.8 4.62 578 562 A 10 VAL H A 9 LYS HGx 1.0 1.8 4.03 579 562 A 10 VAL H A 9 LYS HGy 1.0 1.8 4.03 580 563 A 10 VAL HA A 11 LYS HBx 1.0 1.8 5.12 581 563 A 10 VAL HA A 11 LYS HBy 1.0 1.8 5.12 582 564 A 10 VAL HA A 11 LYS HGx 1.0 1.8 4.10 583 564 A 10 VAL HA A 11 LYS HGy 1.0 1.8 4.10 584 565 A 11 LYS H A 11 LYS HBx 1.0 1.8 3.40 585 565 A 11 LYS H A 11 LYS HBy 1.0 1.8 3.40 586 566 A 11 LYS H A 11 LYS HGx 1.0 1.8 3.41 587 566 A 11 LYS H A 11 LYS HGy 1.0 1.8 3.41 588 567 A 11 LYS HEx A 11 LYS HGx 1.0 1.8 3.24 589 567 A 11 LYS HEy A 11 LYS HGx 1.0 1.8 3.24 590 567 A 11 LYS HGy A 11 LYS HEx 1.0 1.8 3.24 591 567 A 11 LYS HGy A 11 LYS HEy 1.0 1.8 3.24 592 568 A 12 LYS H A 12 LYS HBx 1.0 1.8 2.83 593 568 A 12 LYS H A 12 LYS HBy 1.0 1.8 2.83 594 569 A 12 LYS H A 12 LYS HGx 1.0 1.8 3.43 595 569 A 12 LYS H A 12 LYS HGy 1.0 1.8 3.43 596 570 A 13 SER H A 12 LYS HBx 1.0 1.8 4.19 597 570 A 13 SER H A 12 LYS HBy 1.0 1.8 4.19 598 571 A 13 SER HA A 14 ASP HBx 1.0 1.8 4.44 599 571 A 13 SER HA A 14 ASP HBy 1.0 1.8 4.44 600 572 A 14 ASP H A 13 SER HBx 1.0 1.8 3.76 601 572 A 14 ASP H A 13 SER HBy 1.0 1.8 3.76 602 573 A 14 ASP H A 14 ASP HBx 1.0 1.8 3.26 603 573 A 14 ASP H A 14 ASP HBy 1.0 1.8 3.26 604 574 A 15 CYS H A 15 CYS HBx 1.0 1.8 3.17 605 574 A 15 CYS H A 15 CYS HBy 1.0 1.8 3.17 606 575 A 17 GLU H A 16 GLY HAx 1.0 1.8 2.97 607 575 A 17 GLU H A 16 GLY HAy 1.0 1.8 2.97 608 576 A 40 THR H A 16 GLY HAx 1.0 1.8 4.91 609 576 A 40 THR H A 16 GLY HAy 1.0 1.8 4.91 610 577 A 17 GLU H A 17 GLU HBy 1.0 1.8 2.88 611 577 A 17 GLU H A 17 GLU HBx 1.0 1.8 2.88 612 578 A 17 GLU H A 17 GLU HGx 1.0 1.8 3.49 613 578 A 17 GLU H A 17 GLU HGy 1.0 1.8 3.49 614 579 A 17 GLU HA A 17 GLU HGx 1.0 1.8 3.55 615 579 A 17 GLU HA A 17 GLU HGy 1.0 1.8 3.55 616 580 A 18 TRP H A 17 GLU HBy 1.0 1.8 3.12 617 580 A 18 TRP H A 17 GLU HBx 1.0 1.8 3.12 618 581 A 18 TRP HBx A 17 GLU HBy 1.0 1.8 4.50 619 581 A 18 TRP HBx A 17 GLU HBx 1.0 1.8 4.50 620 582 A 18 TRP HA A 19 GLN HGx 1.0 1.8 4.75 621 582 A 18 TRP HA A 19 GLN HGy 1.0 1.8 4.75 622 583 A 18 TRP HE3 A 37 GLY HAy 1.0 1.8 4.25 623 583 A 18 TRP HE3 A 37 GLY HAx 1.0 1.8 4.25 624 584 A 18 TRP HZ3 A 37 GLY HAy 1.0 1.8 4.50 625 584 A 18 TRP HZ3 A 37 GLY HAx 1.0 1.8 4.50 626 585 A 19 GLN H A 19 GLN HGx 1.0 1.8 3.92 627 585 A 19 GLN H A 19 GLN HGy 1.0 1.8 3.92 628 586 A 19 GLN HA A 19 GLN HGx 1.0 1.8 3.43 629 586 A 19 GLN HA A 19 GLN HGy 1.0 1.8 3.43 630 587 A 19 GLN HBx A 19 GLN HGx 1.0 1.8 2.36 631 587 A 19 GLN HBy A 19 GLN HGx 1.0 1.8 2.36 632 587 A 19 GLN HGy A 19 GLN HBx 1.0 1.8 2.36 633 587 A 19 GLN HGy A 19 GLN HBy 1.0 1.8 2.36 634 588 A 20 TRP H A 19 GLN HBx 1.0 1.8 4.39 635 588 A 20 TRP H A 19 GLN HBy 1.0 1.8 4.39 636 589 A 20 TRP H A 19 GLN HGx 1.0 1.8 4.46 637 589 A 20 TRP H A 19 GLN HGy 1.0 1.8 4.46 638 590 A 20 TRP H A 20 TRP HBy 1.0 1.8 3.37 639 590 A 20 TRP H A 20 TRP HBx 1.0 1.8 3.37 640 591 A 20 TRP HA A 37 GLY HAy 1.0 1.8 4.89 641 591 A 20 TRP HA A 37 GLY HAx 1.0 1.8 4.89 642 592 A 20 TRP HD1 A 20 TRP HBy 1.0 1.8 2.98 643 592 A 20 TRP HD1 A 20 TRP HBx 1.0 1.8 2.98 644 593 A 20 TRP HE3 A 20 TRP HBy 1.0 1.8 3.65 645 593 A 20 TRP HE3 A 20 TRP HBx 1.0 1.8 3.65 646 594 A 20 TRP HE3 A 37 GLY HAy 1.0 1.8 3.53 647 594 A 20 TRP HE3 A 37 GLY HAx 1.0 1.8 3.53 648 595 A 20 TRP HZ3 A 37 GLY HAy 1.0 1.8 4.54 649 595 A 20 TRP HZ3 A 37 GLY HAx 1.0 1.8 4.54 650 596 A 22 VAL H A 21 SER HBx 1.0 1.8 3.62 651 596 A 22 VAL H A 21 SER HBy 1.0 1.8 3.62 652 597 A 22 VAL HA A 23 CYS HBx 1.0 1.8 4.56 653 597 A 22 VAL HA A 23 CYS HBy 1.0 1.8 4.56 654 598 A 22 VAL HGy% A 23 CYS HBx 1.0 1.8 5.10 655 598 A 22 VAL HGy% A 23 CYS HBy 1.0 1.8 5.10 656 599 A 23 CYS H A 23 CYS HBx 1.0 1.8 3.35 657 599 A 23 CYS H A 23 CYS HBy 1.0 1.8 3.35 658 600 A 24 VAL H A 23 CYS HBx 1.0 1.8 4.24 659 600 A 24 VAL H A 23 CYS HBy 1.0 1.8 4.24 660 601 A 26 THR H A 25 PRO HBx 1.0 1.8 3.84 661 601 A 26 THR H A 25 PRO HBy 1.0 1.8 3.84 662 602 A 26 THR H A 27 SER HBx 1.0 1.8 4.22 663 602 A 26 THR H A 27 SER HBy 1.0 1.8 4.22 664 603 A 26 THR H A 33 GLY HAx 1.0 1.8 3.85 665 603 A 26 THR H A 33 GLY HAy 1.0 1.8 3.85 666 604 A 26 THR HA A 27 SER HBx 1.0 1.8 4.96 667 604 A 26 THR HA A 27 SER HBy 1.0 1.8 4.96 668 605 A 26 THR HA A 33 GLY HAx 1.0 1.8 4.10 669 605 A 26 THR HA A 33 GLY HAy 1.0 1.8 4.10 670 606 A 26 THR HB A 33 GLY HAx 1.0 1.8 4.12 671 606 A 26 THR HB A 33 GLY HAy 1.0 1.8 4.12 672 607 A 26 THR HG2% A 33 GLY HAx 1.0 1.8 4.68 673 607 A 26 THR HG2% A 33 GLY HAy 1.0 1.8 4.68 674 608 A 26 THR HG2% A 27 SER HBx 1.0 1.8 3.76 675 608 A 26 THR HG2% A 27 SER HBy 1.0 1.8 3.76 676 609 A 26 THR HG2% A 33 GLY HAx 1.0 1.8 4.90 677 609 A 26 THR HG2% A 33 GLY HAy 1.0 1.8 4.90 678 610 A 27 SER H A 27 SER HBx 1.0 1.8 3.09 679 610 A 27 SER H A 27 SER HBy 1.0 1.8 3.09 680 611 A 27 SER H A 33 GLY HAx 1.0 1.8 4.88 681 611 A 27 SER H A 33 GLY HAy 1.0 1.8 4.88 682 612 A 28 GLY H A 27 SER HBx 1.0 1.8 4.02 683 612 A 28 GLY H A 27 SER HBy 1.0 1.8 4.02 684 613 A 30 CYS H A 28 GLY HAy 1.0 1.8 3.93 685 613 A 30 CYS H A 28 GLY HAx 1.0 1.8 3.93 686 614 A 29 ASP H A 29 ASP HBy 1.0 1.8 3.57 687 614 A 29 ASP H A 29 ASP HBx 1.0 1.8 3.57 688 615 A 30 CYS H A 29 ASP HBy 1.0 1.8 4.08 689 615 A 30 CYS H A 29 ASP HBx 1.0 1.8 4.08 690 616 A 30 CYS H A 30 CYS HBx 1.0 1.8 3.68 691 616 A 30 CYS H A 30 CYS HBy 1.0 1.8 3.68 692 617 A 31 GLY H A 30 CYS HBx 1.0 1.8 4.45 693 617 A 31 GLY H A 30 CYS HBy 1.0 1.8 4.45 694 618 A 55 ILE HG2% A 30 CYS HBx 1.0 1.8 4.19 695 618 A 55 ILE HG2% A 30 CYS HBy 1.0 1.8 4.19 696 619 A 31 GLY HAx A 55 ILE HG1x 1.0 1.8 5.01 697 619 A 31 GLY HAy A 55 ILE HG1x 1.0 1.8 5.01 698 619 A 55 ILE HG1y A 31 GLY HAx 1.0 1.8 5.01 699 619 A 31 GLY HAy A 55 ILE HG1y 1.0 1.8 5.01 700 620 A 32 LEU HDx% A 32 LEU HBx 1.0 1.8 2.74 701 620 A 32 LEU HDx% A 32 LEU HBy 1.0 1.8 2.74 702 621 A 34 THR H A 33 GLY HAx 1.0 1.8 3.11 703 621 A 34 THR H A 33 GLY HAy 1.0 1.8 3.11 704 622 A 34 THR HG2% A 33 GLY HAx 1.0 1.8 4.60 705 622 A 34 THR HG2% A 33 GLY HAy 1.0 1.8 4.60 706 623 A 34 THR HA A 35 ARG HBx 1.0 1.8 4.60 707 623 A 34 THR HA A 35 ARG HBy 1.0 1.8 4.60 708 624 A 34 THR HA A 52 ARG HBx 1.0 1.8 5.36 709 624 A 34 THR HA A 52 ARG HBy 1.0 1.8 5.36 710 625 A 35 ARG H A 52 ARG HBx 1.0 1.8 5.52 711 625 A 35 ARG H A 52 ARG HBy 1.0 1.8 5.52 712 626 A 36 GLU H A 36 GLU HGx 1.0 1.8 4.35 713 626 A 36 GLU H A 36 GLU HGy 1.0 1.8 4.35 714 627 A 38 THR HA A 48 MET HBx 1.0 1.8 4.57 715 627 A 38 THR HA A 48 MET HBy 1.0 1.8 4.57 716 628 A 38 THR HB A 48 MET HBx 1.0 1.8 5.12 717 628 A 38 THR HB A 48 MET HBy 1.0 1.8 5.12 718 629 A 38 THR HB A 48 MET HGx 1.0 1.8 4.44 719 629 A 38 THR HB A 48 MET HGy 1.0 1.8 4.44 720 630 A 38 THR HG2% A 48 MET HBx 1.0 1.8 3.06 721 630 A 38 THR HG2% A 48 MET HBy 1.0 1.8 3.06 722 631 A 38 THR HG2% A 48 MET HGx 1.0 1.8 3.73 723 631 A 38 THR HG2% A 48 MET HGy 1.0 1.8 3.73 724 632 A 40 THR H A 39 ARG HBx 1.0 1.8 3.59 725 632 A 40 THR H A 39 ARG HBy 1.0 1.8 3.59 726 633 A 43 GLU H A 41 GLY HAy 1.0 1.8 4.46 727 633 A 43 GLU H A 41 GLY HAx 1.0 1.8 4.46 728 634 A 44 CYS H A 41 GLY HAy 1.0 1.8 4.47 729 634 A 44 CYS H A 41 GLY HAx 1.0 1.8 4.47 730 635 A 42 ALA H A 43 GLU HGx 1.0 1.8 4.32 731 635 A 42 ALA H A 43 GLU HGy 1.0 1.8 4.32 732 636 A 42 ALA HB% A 43 GLU HGx 1.0 1.8 3.40 733 636 A 42 ALA HB% A 43 GLU HGy 1.0 1.8 3.40 734 637 A 43 GLU H A 43 GLU HBx 1.0 1.8 3.53 735 637 A 43 GLU H A 43 GLU HBy 1.0 1.8 3.53 736 638 A 43 GLU H A 43 GLU HGx 1.0 1.8 3.27 737 638 A 43 GLU H A 43 GLU HGy 1.0 1.8 3.27 738 639 A 43 GLU HA A 43 GLU HGx 1.0 1.8 3.20 739 639 A 43 GLU HA A 43 GLU HGy 1.0 1.8 3.20 740 640 A 44 CYS H A 43 GLU HBx 1.0 1.8 3.98 741 640 A 44 CYS H A 43 GLU HBy 1.0 1.8 3.98 742 641 A 45 LYS HA A 45 LYS HGx 1.0 1.8 3.10 743 641 A 45 LYS HA A 45 LYS HGy 1.0 1.8 3.10 744 642 A 45 LYS HA A 45 LYS HDx 1.0 1.8 3.15 745 642 A 45 LYS HA A 45 LYS HDy 1.0 1.8 3.15 746 643 A 46 GLN H A 45 LYS HBx 1.0 1.8 3.58 747 643 A 46 GLN H A 45 LYS HBy 1.0 1.8 3.58 748 644 A 46 GLN H A 45 LYS HGx 1.0 1.8 4.51 749 644 A 46 GLN H A 45 LYS HGy 1.0 1.8 4.51 750 645 A 45 LYS HDx A 45 LYS HEx 1.0 1.8 2.31 751 645 A 45 LYS HDy A 45 LYS HEx 1.0 1.8 2.31 752 645 A 45 LYS HEy A 45 LYS HDx 1.0 1.8 2.31 753 645 A 45 LYS HDy A 45 LYS HEy 1.0 1.8 2.31 754 646 A 46 GLN H A 46 GLN HGx 1.0 1.8 3.66 755 646 A 46 GLN H A 46 GLN HGy 1.0 1.8 3.66 756 647 A 46 GLN HA A 46 GLN HGx 1.0 1.8 3.65 757 647 A 46 GLN HA A 46 GLN HGy 1.0 1.8 3.65 758 648 A 46 GLN HBx A 46 GLN HGx 1.0 1.8 2.32 759 648 A 46 GLN HBy A 46 GLN HGx 1.0 1.8 2.32 760 648 A 46 GLN HGy A 46 GLN HBx 1.0 1.8 2.32 761 648 A 46 GLN HGy A 46 GLN HBy 1.0 1.8 2.32 762 649 A 48 MET H A 48 MET HBx 1.0 1.8 3.49 763 649 A 48 MET H A 48 MET HBy 1.0 1.8 3.49 764 650 A 48 MET H A 48 MET HGx 1.0 1.8 4.68 765 650 A 48 MET H A 48 MET HGy 1.0 1.8 4.68 766 651 A 48 MET HA A 48 MET HGx 1.0 1.8 3.49 767 651 A 48 MET HA A 48 MET HGy 1.0 1.8 3.49 768 652 A 49 LYS H A 48 MET HBx 1.0 1.8 3.59 769 652 A 49 LYS H A 48 MET HBy 1.0 1.8 3.59 770 653 A 49 LYS H A 48 MET HGx 1.0 1.8 4.58 771 653 A 49 LYS H A 48 MET HGy 1.0 1.8 4.58 772 654 A 49 LYS H A 49 LYS HGx 1.0 1.8 4.75 773 654 A 49 LYS H A 49 LYS HGy 1.0 1.8 4.75 774 655 A 49 LYS HA A 49 LYS HGx 1.0 1.8 3.66 775 655 A 49 LYS HA A 49 LYS HGy 1.0 1.8 3.66 776 656 A 49 LYS HA A 49 LYS HDx 1.0 1.8 3.38 777 656 A 49 LYS HA A 49 LYS HDy 1.0 1.8 3.38 778 657 A 49 LYS HBx A 49 LYS HDx 1.0 1.8 3.14 779 657 A 49 LYS HBy A 49 LYS HDx 1.0 1.8 3.14 780 657 A 49 LYS HDy A 49 LYS HBx 1.0 1.8 3.14 781 657 A 49 LYS HDy A 49 LYS HBy 1.0 1.8 3.14 782 658 A 50 THR H A 49 LYS HBx 1.0 1.8 3.66 783 658 A 50 THR H A 49 LYS HBy 1.0 1.8 3.66 784 659 A 50 THR H A 49 LYS HGx 1.0 1.8 4.08 785 659 A 50 THR H A 49 LYS HGy 1.0 1.8 4.08 786 660 A 51 GLN HA A 52 ARG HGx 1.0 1.8 3.84 787 660 A 51 GLN HA A 52 ARG HGy 1.0 1.8 3.84 788 661 A 51 GLN HA A 52 ARG HDx 1.0 1.8 5.74 789 661 A 51 GLN HA A 52 ARG HDy 1.0 1.8 5.74 790 662 A 52 ARG H A 52 ARG HBx 1.0 1.8 3.53 791 662 A 52 ARG H A 52 ARG HBy 1.0 1.8 3.53 792 663 A 52 ARG H A 52 ARG HGx 1.0 1.8 3.63 793 663 A 52 ARG H A 52 ARG HGy 1.0 1.8 3.63 794 664 A 52 ARG H A 52 ARG HDx 1.0 1.8 4.52 795 664 A 52 ARG H A 52 ARG HDy 1.0 1.8 4.52 796 665 A 52 ARG HBx A 52 ARG HDx 1.0 1.8 3.31 797 665 A 52 ARG HBy A 52 ARG HDx 1.0 1.8 3.31 798 665 A 52 ARG HDy A 52 ARG HBx 1.0 1.8 3.31 799 665 A 52 ARG HBy A 52 ARG HDy 1.0 1.8 3.31 800 666 A 53 CYS H A 52 ARG HBx 1.0 1.8 3.70 801 666 A 53 CYS H A 52 ARG HBy 1.0 1.8 3.70 802 667 A 53 CYS H A 52 ARG HDx 1.0 1.8 4.81 803 667 A 53 CYS H A 52 ARG HDy 1.0 1.8 4.81 804 668 A 54 LYS H A 53 CYS HBx 1.0 1.8 3.61 805 668 A 54 LYS H A 53 CYS HBy 1.0 1.8 3.61 806 669 A 54 LYS H A 54 LYS HBy 1.0 1.8 3.50 807 669 A 54 LYS H A 54 LYS HBx 1.0 1.8 3.50 808 670 A 54 LYS H A 54 LYS HGy 1.0 1.8 3.96 809 670 A 54 LYS H A 54 LYS HGx 1.0 1.8 3.96 810 671 A 55 ILE H A 54 LYS HGy 1.0 1.8 3.62 811 671 A 55 ILE H A 54 LYS HGx 1.0 1.8 3.62 812 672 A 55 ILE H A 55 ILE HG1x 1.0 1.8 4.40 813 672 A 55 ILE H A 55 ILE HG1y 1.0 1.8 4.40 814 673 A 55 ILE HG2% A 55 ILE HG1x 1.0 1.8 3.54 815 673 A 55 ILE HG2% A 55 ILE HG1y 1.0 1.8 3.54 816 674 A 55 ILE HG2% A 55 ILE HG1x 1.0 1.8 3.71 817 674 A 55 ILE HG2% A 55 ILE HG1y 1.0 1.8 3.71 818 675 A 58 ASN HBx A 58 ASN HD2x 1.0 1.8 3.07 819 675 A 58 ASN HBy A 58 ASN HD2x 1.0 1.8 3.07 820 675 A 58 ASN HD2y A 58 ASN HBx 1.0 1.8 3.07 821 675 A 58 ASN HBy A 58 ASN HD2y 1.0 1.8 3.07 822 676 A 59 TRP H A 58 ASN HBx 1.0 1.8 4.03 823 676 A 59 TRP H A 58 ASN HBy 1.0 1.8 4.03 824 677 A 59 TRP H A 59 TRP HBy 1.0 1.8 3.41 825 677 A 59 TRP H A 59 TRP HBx 1.0 1.8 3.41 826 678 A 60 LYS H A 59 TRP HBy 1.0 1.8 4.10 827 678 A 60 LYS H A 59 TRP HBx 1.0 1.8 4.10 828 679 A 60 LYS H A 60 LYS HGx 1.0 1.8 4.34 829 679 A 60 LYS H A 60 LYS HGy 1.0 1.8 4.34 830 680 A 60 LYS HA A 60 LYS HGx 1.0 1.8 3.35 831 680 A 60 LYS HA A 60 LYS HGy 1.0 1.8 3.35 832 681 A 60 LYS HA A 60 LYS HDx 1.0 1.8 3.85 833 681 A 60 LYS HA A 60 LYS HDy 1.0 1.8 3.85 834 682 A 61 LYS H A 60 LYS HGx 1.0 1.8 4.11 835 682 A 61 LYS H A 60 LYS HGy 1.0 1.8 4.11 836 683 A 61 LYS H A 61 LYS HBx 1.0 1.8 3.05 837 683 A 61 LYS H A 61 LYS HBy 1.0 1.8 3.05 838 684 A 61 LYS H A 61 LYS HGx 1.0 1.8 3.67 839 684 A 61 LYS H A 61 LYS HGy 1.0 1.8 3.67 840 685 A 61 LYS HA A 61 LYS HGx 1.0 1.8 3.49 841 685 A 61 LYS HA A 61 LYS HGy 1.0 1.8 3.49 842 686 A 61 LYS HA A 62 GLN HGx 1.0 1.8 5.21 843 686 A 61 LYS HA A 62 GLN HGy 1.0 1.8 5.21 844 687 A 61 LYS HEx A 61 LYS HGx 1.0 1.8 3.22 845 687 A 61 LYS HEy A 61 LYS HGx 1.0 1.8 3.22 846 687 A 61 LYS HGy A 61 LYS HEx 1.0 1.8 3.22 847 687 A 61 LYS HGy A 61 LYS HEy 1.0 1.8 3.22 848 688 A 62 GLN H A 61 LYS HGx 1.0 1.8 4.06 849 688 A 62 GLN H A 61 LYS HGy 1.0 1.8 4.06 850 689 A 62 GLN H A 62 GLN HGx 1.0 1.8 4.21 851 689 A 62 GLN H A 62 GLN HGy 1.0 1.8 4.21 852 690 A 62 GLN HA A 62 GLN HGx 1.0 1.8 3.50 853 690 A 62 GLN HA A 62 GLN HGy 1.0 1.8 3.50 854 691 A 63 PHE H A 62 GLN HBx 1.0 1.8 3.99 855 691 A 63 PHE H A 62 GLN HBy 1.0 1.8 3.99 856 692 A 63 PHE HA A 62 GLN HBx 1.0 1.8 4.96 857 692 A 63 PHE HA A 62 GLN HBy 1.0 1.8 4.96 858 693 A 63 PHE H A 62 GLN HGx 1.0 1.8 4.56 859 693 A 63 PHE H A 62 GLN HGy 1.0 1.8 4.56 860 694 A 63 PHE HA A 64 GLY HAx 1.0 1.8 4.53 861 694 A 63 PHE HA A 64 GLY HAy 1.0 1.8 4.53 862 695 A 65 ALA H A 64 GLY HAx 1.0 1.8 2.94 863 695 A 65 ALA H A 64 GLY HAy 1.0 1.8 2.94 864 696 A 65 ALA HB% A 64 GLY HAx 1.0 1.8 5.27 865 696 A 65 ALA HB% A 64 GLY HAy 1.0 1.8 5.27 866 697 A 66 GLU H A 64 GLY HAx 1.0 1.8 4.75 867 697 A 66 GLU H A 64 GLY HAy 1.0 1.8 4.75 868 698 A 65 ALA H A 66 GLU HGx 1.0 1.8 5.12 869 698 A 65 ALA H A 66 GLU HGy 1.0 1.8 5.12 870 699 A 65 ALA HB% A 66 GLU HGx 1.0 1.8 4.01 871 699 A 65 ALA HB% A 66 GLU HGy 1.0 1.8 4.01 872 700 A 65 ALA HB% A 66 GLU HGx 1.0 1.8 4.59 873 700 A 65 ALA HB% A 66 GLU HGy 1.0 1.8 4.59 874 701 A 65 ALA HB% A 66 GLU HGx 1.0 1.8 4.54 875 701 A 65 ALA HB% A 66 GLU HGy 1.0 1.8 4.54 876 702 A 66 GLU H A 66 GLU HBx 1.0 1.8 3.47 877 702 A 66 GLU H A 66 GLU HBy 1.0 1.8 3.47 878 703 A 66 GLU H A 66 GLU HGx 1.0 1.8 3.32 879 703 A 66 GLU H A 66 GLU HGy 1.0 1.8 3.32 880 704 A 67 CYS H A 66 GLU HBx 1.0 1.8 4.21 881 704 A 67 CYS H A 66 GLU HBy 1.0 1.8 4.21 882 705 A 67 CYS H A 66 GLU HGx 1.0 1.8 4.42 883 705 A 67 CYS H A 66 GLU HGy 1.0 1.8 4.42 884 706 A 67 CYS H A 67 CYS HBx 1.0 1.8 3.64 885 706 A 67 CYS H A 67 CYS HBy 1.0 1.8 3.64 886 707 A 68 LYS H A 68 LYS HBx 1.0 1.8 3.50 887 707 A 68 LYS H A 68 LYS HBy 1.0 1.8 3.50 888 708 A 68 LYS H A 68 LYS HGy 1.0 1.8 3.89 889 708 A 68 LYS H A 68 LYS HGx 1.0 1.8 3.89 890 709 A 68 LYS HA A 68 LYS HGy 1.0 1.8 3.66 891 709 A 68 LYS HA A 68 LYS HGx 1.0 1.8 3.66 892 710 A 69 TYR H A 68 LYS HBx 1.0 1.8 3.80 893 710 A 69 TYR H A 68 LYS HBy 1.0 1.8 3.80 894 711 A 69 TYR H A 68 LYS HGy 1.0 1.8 4.16 895 711 A 69 TYR H A 68 LYS HGx 1.0 1.8 4.16 896 712 A 70 GLN H A 70 GLN HBx 1.0 1.8 3.64 897 712 A 70 GLN H A 70 GLN HBy 1.0 1.8 3.64 898 713 A 70 GLN H A 70 GLN HGx 1.0 1.8 4.38 899 713 A 70 GLN H A 70 GLN HGy 1.0 1.8 4.38 900 714 A 70 GLN H A 91 LYS HGx 1.0 1.8 4.31 901 714 A 70 GLN H A 91 LYS HGy 1.0 1.8 4.31 902 715 A 70 GLN HA A 70 GLN HGx 1.0 1.8 3.40 903 715 A 70 GLN HGy A 70 GLN HA 1.0 1.8 3.40 904 716 A 89 SER H A 70 GLN HBx 1.0 1.8 4.46 905 716 A 89 SER H A 70 GLN HBy 1.0 1.8 4.46 906 717 A 71 PHE H A 70 GLN HGx 1.0 1.8 4.04 907 717 A 70 GLN HGy A 71 PHE H 1.0 1.8 4.04 908 718 A 70 GLN HGy A 91 LYS HGx 1.0 1.8 4.61 909 718 A 91 LYS HGy A 70 GLN HGx 1.0 1.8 4.61 910 718 A 70 GLN HGy A 91 LYS HGy 1.0 1.8 4.61 911 718 A 70 GLN HGx A 91 LYS HGx 1.0 1.8 4.61 912 719 A 72 GLN HA A 71 PHE HBx 1.0 1.8 4.76 913 719 A 72 GLN HA A 71 PHE HBy 1.0 1.8 4.76 914 720 A 72 GLN H A 72 GLN HGy 1.0 1.8 3.30 915 720 A 72 GLN H A 72 GLN HGx 1.0 1.8 3.30 916 721 A 72 GLN HA A 72 GLN HGy 1.0 1.8 3.06 917 721 A 72 GLN HA A 72 GLN HGx 1.0 1.8 3.06 918 722 A 87 THR H A 72 GLN HBx 1.0 1.8 4.60 919 722 A 87 THR H A 72 GLN HBy 1.0 1.8 4.60 920 723 A 73 ALA H A 72 GLN HGy 1.0 1.8 3.04 921 723 A 73 ALA H A 72 GLN HGx 1.0 1.8 3.04 922 724 A 73 ALA HB% A 72 GLN HGy 1.0 1.8 5.14 923 724 A 73 ALA HB% A 72 GLN HGx 1.0 1.8 5.14 924 725 A 87 THR H A 72 GLN HGy 1.0 1.8 4.06 925 725 A 87 THR H A 72 GLN HGx 1.0 1.8 4.06 926 726 A 87 THR HB A 72 GLN HGy 1.0 1.8 5.26 927 726 A 87 THR HB A 72 GLN HGx 1.0 1.8 5.26 928 727 A 73 ALA HA A 74 TRP HBx 1.0 1.8 5.00 929 727 A 73 ALA HA A 74 TRP HBy 1.0 1.8 5.00 930 728 A 73 ALA HB% A 75 GLY HAx 1.0 1.8 5.42 931 728 A 73 ALA HB% A 75 GLY HAy 1.0 1.8 5.42 932 729 A 74 TRP H A 74 TRP HBx 1.0 1.8 3.20 933 729 A 74 TRP H A 74 TRP HBy 1.0 1.8 3.20 934 730 A 74 TRP H A 75 GLY HAx 1.0 1.8 4.37 935 730 A 74 TRP H A 75 GLY HAy 1.0 1.8 4.37 936 731 A 75 GLY H A 74 TRP HBx 1.0 1.8 3.83 937 731 A 75 GLY H A 74 TRP HBy 1.0 1.8 3.83 938 732 A 76 GLU H A 75 GLY HAx 1.0 1.8 3.00 939 732 A 76 GLU H A 75 GLY HAy 1.0 1.8 3.00 940 733 A 76 GLU H A 76 GLU HBy 1.0 1.8 2.93 941 733 A 76 GLU H A 76 GLU HBx 1.0 1.8 2.93 942 734 A 76 GLU H A 76 GLU HGx 1.0 1.8 3.76 943 734 A 76 GLU H A 76 GLU HGy 1.0 1.8 3.76 944 735 A 76 GLU HA A 76 GLU HGx 1.0 1.8 3.61 945 735 A 76 GLU HGy A 76 GLU HA 1.0 1.8 3.61 946 736 A 77 CYS H A 76 GLU HGx 1.0 1.8 4.81 947 736 A 76 GLU HGy A 77 CYS H 1.0 1.8 4.81 948 737 A 77 CYS HA A 84 LYS HGx 1.0 1.8 4.29 949 737 A 77 CYS HA A 84 LYS HGy 1.0 1.8 4.29 950 738 A 78 ASP H A 84 LYS HGx 1.0 1.8 4.17 951 738 A 78 ASP H A 84 LYS HGy 1.0 1.8 4.17 952 739 A 79 LEU H A 79 LEU HBx 1.0 1.8 3.01 953 739 A 79 LEU H A 79 LEU HBy 1.0 1.8 3.01 954 740 A 80 ASN H A 79 LEU HBx 1.0 1.8 3.61 955 740 A 80 ASN H A 79 LEU HBy 1.0 1.8 3.61 956 741 A 81 THR H A 79 LEU HBx 1.0 1.8 4.64 957 741 A 81 THR H A 79 LEU HBy 1.0 1.8 4.64 958 742 A 81 THR HG2% A 80 ASN HBy 1.0 1.8 4.76 959 742 A 81 THR HG2% A 80 ASN HBx 1.0 1.8 4.76 960 743 A 82 ALA HB% A 109 CYS HBy 1.0 1.8 4.55 961 743 A 82 ALA HB% A 109 CYS HBx 1.0 1.8 4.55 962 744 A 83 LEU H A 83 LEU HBx 1.0 1.8 3.31 963 744 A 83 LEU H A 83 LEU HBy 1.0 1.8 3.31 964 745 A 83 LEU HA A 84 LYS HGx 1.0 1.8 5.17 965 745 A 83 LEU HA A 84 LYS HGy 1.0 1.8 5.17 966 746 A 83 LEU HDx% A 108 PRO HBx 1.0 1.8 4.54 967 746 A 83 LEU HDx% A 108 PRO HBy 1.0 1.8 4.54 968 747 A 84 LYS H A 84 LYS HBx 1.0 1.8 3.68 969 747 A 84 LYS H A 84 LYS HBy 1.0 1.8 3.68 970 748 A 84 LYS HA A 84 LYS HGx 1.0 1.8 3.56 971 748 A 84 LYS HA A 84 LYS HGy 1.0 1.8 3.56 972 749 A 85 THR H A 84 LYS HBx 1.0 1.8 3.70 973 749 A 85 THR H A 84 LYS HBy 1.0 1.8 3.70 974 750 A 103 VAL HGy% A 88 GLY HAx 1.0 1.8 5.53 975 750 A 103 VAL HGy% A 88 GLY HAy 1.0 1.8 5.53 976 751 A 103 VAL HGy% A 88 GLY HAx 1.0 1.8 5.81 977 751 A 103 VAL HGy% A 88 GLY HAy 1.0 1.8 5.81 978 752 A 89 SER H A 89 SER HBx 1.0 1.8 3.58 979 752 A 89 SER H A 89 SER HBy 1.0 1.8 3.58 980 753 A 90 LEU H A 89 SER HBx 1.0 1.8 4.05 981 753 A 90 LEU H A 89 SER HBy 1.0 1.8 4.05 982 754 A 90 LEU HBy A 100 GLN HGx 1.0 1.8 4.86 983 754 A 90 LEU HBy A 100 GLN HGy 1.0 1.8 4.86 984 755 A 99 CYS HBx A 90 LEU HD21 1.0 1.8 4.09 985 755 A 90 LEU HD21 A 99 CYS HBy 1.0 1.8 4.09 986 756 A 99 CYS HBx A 90 LEU HD21 1.0 1.8 5.04 987 756 A 90 LEU HD21 A 99 CYS HBy 1.0 1.8 5.04 988 757 A 91 LYS H A 91 LYS HGx 1.0 1.8 4.42 989 757 A 91 LYS H A 91 LYS HGy 1.0 1.8 4.42 990 758 A 91 LYS HA A 91 LYS HGx 1.0 1.8 3.74 991 758 A 91 LYS HA A 91 LYS HGy 1.0 1.8 3.74 992 759 A 91 LYS HEx A 91 LYS HGx 1.0 1.8 3.32 993 759 A 91 LYS HEy A 91 LYS HGx 1.0 1.8 3.32 994 759 A 91 LYS HGy A 91 LYS HEx 1.0 1.8 3.32 995 759 A 91 LYS HGy A 91 LYS HEy 1.0 1.8 3.32 996 760 A 92 ARG H A 91 LYS HGx 1.0 1.8 5.02 997 760 A 92 ARG H A 91 LYS HGy 1.0 1.8 5.02 998 761 A 92 ARG H A 92 ARG HBx 1.0 1.8 3.53 999 761 A 92 ARG H A 92 ARG HBy 1.0 1.8 3.53 1000 762 A 92 ARG H A 92 ARG HGx 1.0 1.8 4.67 1001 762 A 92 ARG H A 92 ARG HGy 1.0 1.8 4.67 1002 763 A 92 ARG HA A 92 ARG HDx 1.0 1.8 3.89 1003 763 A 92 ARG HA A 92 ARG HDy 1.0 1.8 3.89 1004 764 A 92 ARG HBx A 92 ARG HDx 1.0 1.8 2.93 1005 764 A 92 ARG HBy A 92 ARG HDx 1.0 1.8 2.93 1006 764 A 92 ARG HDy A 92 ARG HBx 1.0 1.8 2.93 1007 764 A 92 ARG HBy A 92 ARG HDy 1.0 1.8 2.93 1008 765 A 93 ALA H A 92 ARG HBx 1.0 1.8 3.73 1009 765 A 93 ALA H A 92 ARG HBy 1.0 1.8 3.73 1010 766 A 93 ALA H A 92 ARG HGx 1.0 1.8 4.17 1011 766 A 93 ALA H A 92 ARG HGy 1.0 1.8 4.17 1012 767 A 93 ALA H A 92 ARG HDx 1.0 1.8 4.42 1013 767 A 93 ALA H A 92 ARG HDy 1.0 1.8 4.42 1014 768 A 92 ARG HDy A 94 LEU HDy% 1.0 1.8 3.83 1015 768 A 94 LEU HDx% A 92 ARG HDx 1.0 1.8 3.83 1016 768 A 92 ARG HDy A 94 LEU HDx% 1.0 1.8 3.83 1017 768 A 92 ARG HDx A 94 LEU HDy% 1.0 1.8 3.83 1018 769 A 93 ALA HB% A 99 CYS HBy 1.0 1.8 5.25 1019 769 A 93 ALA HB% A 99 CYS HBx 1.0 1.8 5.25 1020 770 A 93 ALA HB% A 99 CYS HBy 1.0 1.8 5.45 1021 770 A 93 ALA HB% A 99 CYS HBx 1.0 1.8 5.45 1022 771 A 95 HIS HD2 A 95 HIS HBx 1.0 1.8 3.18 1023 771 A 95 HIS HBy A 95 HIS HD2 1.0 1.8 3.18 1024 772 A 97 ALA H A 95 HIS HBx 1.0 1.8 5.20 1025 772 A 97 ALA H A 95 HIS HBy 1.0 1.8 5.20 1026 773 A 96 ASN HA A 96 ASN HD2x 1.0 1.8 4.63 1027 773 A 96 ASN HA A 96 ASN HD2y 1.0 1.8 4.63 1028 774 A 97 ALA H A 96 ASN HBx 1.0 1.8 4.37 1029 774 A 97 ALA H A 96 ASN HBy 1.0 1.8 4.37 1030 775 A 97 ALA H A 98 GLU HGx 1.0 1.8 5.09 1031 775 A 97 ALA H A 98 GLU HGy 1.0 1.8 5.09 1032 776 A 98 GLU H A 98 GLU HBx 1.0 1.8 3.64 1033 776 A 98 GLU H A 98 GLU HBy 1.0 1.8 3.64 1034 777 A 98 GLU H A 98 GLU HGx 1.0 1.8 3.94 1035 777 A 98 GLU H A 98 GLU HGy 1.0 1.8 3.94 1036 778 A 98 GLU HA A 98 GLU HGx 1.0 1.8 3.08 1037 778 A 98 GLU HA A 98 GLU HGy 1.0 1.8 3.08 1038 779 A 99 CYS H A 98 GLU HBx 1.0 1.8 4.05 1039 779 A 99 CYS H A 98 GLU HBy 1.0 1.8 4.05 1040 780 A 99 CYS H A 98 GLU HGx 1.0 1.8 4.83 1041 780 A 99 CYS H A 98 GLU HGy 1.0 1.8 4.83 1042 781 A 99 CYS H A 99 CYS HBy 1.0 1.8 3.52 1043 781 A 99 CYS H A 99 CYS HBx 1.0 1.8 3.52 1044 782 A 99 CYS HA A 100 GLN HGx 1.0 1.8 5.16 1045 782 A 99 CYS HA A 100 GLN HGy 1.0 1.8 5.16 1046 783 A 100 GLN H A 99 CYS HBy 1.0 1.8 4.38 1047 783 A 100 GLN H A 99 CYS HBx 1.0 1.8 4.38 1048 784 A 100 GLN H A 100 GLN HBy 1.0 1.8 3.46 1049 784 A 100 GLN H A 100 GLN HBx 1.0 1.8 3.46 1050 785 A 100 GLN H A 100 GLN HGx 1.0 1.8 3.62 1051 785 A 100 GLN H A 100 GLN HGy 1.0 1.8 3.62 1052 786 A 100 GLN HA A 100 GLN HGx 1.0 1.8 3.57 1053 786 A 100 GLN HA A 100 GLN HGy 1.0 1.8 3.57 1054 787 A 101 LYS H A 100 GLN HBy 1.0 1.8 3.28 1055 787 A 101 LYS H A 100 GLN HBx 1.0 1.8 3.28 1056 788 A 102 THR H A 100 GLN HBy 1.0 1.8 3.74 1057 788 A 102 THR H A 100 GLN HBx 1.0 1.8 3.74 1058 789 A 103 VAL HGx% A 100 GLN HBy 1.0 1.8 4.24 1059 789 A 103 VAL HGx% A 100 GLN HBx 1.0 1.8 4.24 1060 790 A 101 LYS H A 100 GLN HGx 1.0 1.8 4.70 1061 790 A 101 LYS H A 100 GLN HGy 1.0 1.8 4.70 1062 791 A 102 THR H A 100 GLN HGx 1.0 1.8 4.64 1063 791 A 102 THR H A 100 GLN HGy 1.0 1.8 4.64 1064 792 A 103 VAL HGx% A 100 GLN HGx 1.0 1.8 4.51 1065 792 A 103 VAL HGx% A 100 GLN HGy 1.0 1.8 4.51 1066 793 A 103 VAL HGx% A 100 GLN HGx 1.0 1.8 4.76 1067 793 A 103 VAL HGx% A 100 GLN HGy 1.0 1.8 4.76 1068 794 A 101 LYS H A 101 LYS HBx 1.0 1.8 3.67 1069 794 A 101 LYS H A 101 LYS HBy 1.0 1.8 3.67 1070 795 A 101 LYS H A 101 LYS HGx 1.0 1.8 4.42 1071 795 A 101 LYS H A 101 LYS HGy 1.0 1.8 4.42 1072 796 A 102 THR H A 101 LYS HBx 1.0 1.8 3.84 1073 796 A 102 THR H A 101 LYS HBy 1.0 1.8 3.84 1074 797 A 102 THR HB A 101 LYS HBx 1.0 1.8 4.37 1075 797 A 102 THR HB A 101 LYS HBy 1.0 1.8 4.37 1076 798 A 102 THR HG2% A 101 LYS HBx 1.0 1.8 4.04 1077 798 A 102 THR HG2% A 101 LYS HBy 1.0 1.8 4.04 1078 799 A 102 THR HB A 101 LYS HGx 1.0 1.8 4.40 1079 799 A 102 THR HB A 101 LYS HGy 1.0 1.8 4.40 1080 800 A 102 THR HG2% A 101 LYS HGx 1.0 1.8 2.90 1081 800 A 102 THR HG2% A 101 LYS HGy 1.0 1.8 2.90 1082 801 A 105 ILE HG2% A 105 ILE HG1x 1.0 1.8 3.53 1083 801 A 105 ILE HG2% A 105 ILE HG1y 1.0 1.8 3.53 1084 802 A 106 SER H A 105 ILE HG1x 1.0 1.8 4.69 1085 802 A 106 SER H A 105 ILE HG1y 1.0 1.8 4.69 1086 803 A 111 LYS H A 110 GLY HAx 1.0 1.8 2.83 1087 803 A 110 GLY HAy A 111 LYS H 1.0 1.8 2.83 1088 804 A 111 LYS HA A 110 GLY HAx 1.0 1.8 4.45 1089 804 A 111 LYS HA A 110 GLY HAy 1.0 1.8 4.45 1090 805 A 111 LYS H A 111 LYS HBx 1.0 1.8 3.22 1091 805 A 111 LYS H A 111 LYS HBy 1.0 1.8 3.22 1092 806 A 111 LYS HA A 111 LYS HGx 1.0 1.8 3.47 1093 806 A 111 LYS HA A 111 LYS HGy 1.0 1.8 3.47 1094 807 A 112 LEU H A 111 LYS HGx 1.0 1.8 4.04 1095 807 A 112 LEU H A 111 LYS HGy 1.0 1.8 4.04 1096 808 A 112 LEU H A 112 LEU HBx 1.0 1.8 3.10 1097 808 A 112 LEU H A 112 LEU HBy 1.0 1.8 3.10 1098 809 A 113 THR H A 112 LEU HBx 1.0 1.8 3.99 1099 809 A 113 THR H A 112 LEU HBy 1.0 1.8 3.99 1100 810 A 113 THR HA A 115 PRO HDx 1.0 1.8 4.28 1101 810 A 113 THR HA A 115 PRO HDy 1.0 1.8 4.28 1102 811 A 114 LYS H A 115 PRO HDx 1.0 1.8 4.41 1103 811 A 114 LYS H A 115 PRO HDy 1.0 1.8 4.41 1104 812 A 115 PRO HBx A 117 PRO HDx 1.0 1.8 2.95 1105 812 A 115 PRO HBx A 117 PRO HDy 1.0 1.8 2.95 1106 813 A 118 GLN H A 118 GLN HBx 1.0 1.8 3.65 1107 813 A 118 GLN H A 118 GLN HBy 1.0 1.8 3.65 1108 814 A 118 GLN H A 118 GLN HGx 1.0 1.8 4.09 1109 814 A 118 GLN H A 118 GLN HGy 1.0 1.8 4.09 1110 815 A 118 GLN HA A 118 GLN HGx 1.0 1.8 3.55 1111 815 A 118 GLN HGy A 118 GLN HA 1.0 1.8 3.55 1112 816 A 120 GLU H A 120 GLU HBx 1.0 1.8 3.07 1113 816 A 120 GLU H A 120 GLU HBy 1.0 1.8 3.07 1114 817 A 120 GLU H A 120 GLU HGx 1.0 1.8 3.84 1115 817 A 120 GLU H A 120 GLU HGy 1.0 1.8 3.84 1116 818 A 122 LYS H A 121 SER HBx 1.0 1.8 4.08 1117 818 A 122 LYS H A 121 SER HBy 1.0 1.8 4.08 1118 819 A 126 LYS H A 126 LYS HGx 1.0 1.8 3.70 1119 819 A 126 LYS H A 126 LYS HGy 1.0 1.8 3.70 1120 820 A 127 GLU H A 126 LYS HBx 1.0 1.8 2.86 1121 820 A 126 LYS HBy A 127 GLU H 1.0 1.8 2.86 1122 821 A 130 LYS H A 130 LYS HBx 1.0 1.8 3.17 1123 821 A 130 LYS H A 130 LYS HBy 1.0 1.8 3.17 1124 822 A 131 GLN H A 130 LYS HBx 1.0 1.8 4.03 1125 822 A 131 GLN H A 130 LYS HBy 1.0 1.8 4.03 1126 823 A 131 GLN H A 131 GLN HBx 1.0 1.8 3.53 1127 823 A 131 GLN H A 131 GLN HBy 1.0 1.8 3.53 1128 824 A 131 GLN H A 131 GLN HGx 1.0 1.8 4.16 1129 824 A 131 GLN H A 131 GLN HGy 1.0 1.8 4.16 1130 825 A 132 GLU H A 132 GLU HBx 1.0 1.8 3.02 1131 825 A 132 GLU H A 132 GLU HBy 1.0 1.8 3.02 1132 826 A 132 GLU H A 132 GLU HGx 1.0 1.8 3.57 1133 826 A 132 GLU H A 132 GLU HGy 1.0 1.8 3.57 1134 827 A 133 LYS H A 132 GLU HBx 1.0 1.8 3.82 1135 827 A 133 LYS H A 132 GLU HBy 1.0 1.8 3.82 1136 828 A 133 LYS H A 133 LYS HBx 1.0 1.8 3.11 1137 828 A 133 LYS H A 133 LYS HBy 1.0 1.8 3.11 1138 829 A 133 LYS HA A 133 LYS HGx 1.0 1.8 3.67 1139 829 A 133 LYS HA A 133 LYS HGy 1.0 1.8 3.67 1140 830 A 134 MET H A 134 MET HGx 1.0 1.8 4.05 1141 830 A 134 MET H A 134 MET HGy 1.0 1.8 4.05 1142 831 A 135 LEU H A 134 MET HBx 1.0 1.8 4.10 1143 831 A 135 LEU H A 134 MET HBy 1.0 1.8 4.10 1144 832 A 135 LEU H A 135 LEU HBx 1.0 1.8 3.04 1145 832 A 135 LEU H A 135 LEU HBy 1.0 1.8 3.04 1146 833 A 136 ASP H A 135 LEU HBx 1.0 1.8 3.72 1147 833 A 136 ASP H A 135 LEU HBy 1.0 1.8 3.72 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 13 SER C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -115.2 -75.2 PHI 2 2 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 CYS N 1.0 109.9 164.9 PSI 3 3 A 15 CYS C A 16 GLY N A 16 GLY CA A 16 GLY C 1.0 -177.6 -117.6 PHI 4 4 A 16 GLY N A 16 GLY CA A 16 GLY C A 17 GLU N 1.0 130.8 177.8 PSI 5 5 A 16 GLY C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -132.0 -77.6 PHI 6 6 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 TRP N 1.0 106.0 164.0 PSI 7 7 A 17 GLU C A 18 TRP N A 18 TRP CA A 18 TRP C 1.0 -111.9 -51.9 PHI 8 8 A 18 TRP N A 18 TRP CA A 18 TRP C A 19 GLN N 1.0 111.5 151.5 PSI 9 9 A 18 TRP C A 19 GLN N A 19 GLN CA A 19 GLN C 1.0 -124.7 -84.7 PHI 10 10 A 19 GLN N A 19 GLN CA A 19 GLN C A 20 TRP N 1.0 106.5 146.5 PSI 11 11 A 19 GLN C A 20 TRP N A 20 TRP CA A 20 TRP C 1.0 -135.1 -95.1 PHI 12 12 A 20 TRP N A 20 TRP CA A 20 TRP C A 21 SER N 1.0 110.8 150.8 PSI 13 13 A 20 TRP C A 21 SER N A 21 SER CA A 21 SER C 1.0 -127.2 -87.2 PHI 14 14 A 21 SER N A 21 SER CA A 21 SER C A 22 VAL N 1.0 132.3 172.3 PSI 15 15 A 21 SER C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -150.0 -98.6 PHI 16 16 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 CYS N 1.0 121.9 161.9 PSI 17 17 A 23 CYS C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -129.9 -89.9 PHI 18 18 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 PRO N 1.0 97.0 137.0 PSI 19 19 A 30 CYS C A 31 GLY N A 31 GLY CA A 31 GLY C 1.0 -170.3 -110.3 PHI 20 20 A 31 GLY N A 31 GLY CA A 31 GLY C A 32 LEU N 1.0 116.7 156.7 PSI 21 21 A 31 GLY C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -99.5 -51.1 PHI 22 22 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 GLY N 1.0 111.2 151.2 PSI 23 23 A 33 GLY C A 34 THR N A 34 THR CA A 34 THR C 1.0 -168.5 -128.5 PHI 24 24 A 34 THR N A 34 THR CA A 34 THR C A 35 ARG N 1.0 141.0 181.0 PSI 25 25 A 34 THR C A 35 ARG N A 35 ARG CA A 35 ARG C 1.0 -155.8 -115.8 PHI 26 26 A 35 ARG N A 35 ARG CA A 35 ARG C A 36 GLU N 1.0 126.4 166.4 PSI 27 27 A 35 ARG C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -140.3 -100.3 PHI 28 28 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 GLY N 1.0 103.8 143.8 PSI 29 29 A 36 GLU C A 37 GLY N A 37 GLY CA A 37 GLY C 1.0 -137.6 -82.8 PHI 30 30 A 37 GLY N A 37 GLY CA A 37 GLY C A 38 THR N 1.0 110.9 150.9 PSI 31 31 A 37 GLY C A 38 THR N A 38 THR CA A 38 THR C 1.0 -145.4 -105.4 PHI 32 32 A 38 THR N A 38 THR CA A 38 THR C A 39 ARG N 1.0 132.9 172.9 PSI 33 33 A 38 THR C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 -157.9 -117.9 PHI 34 34 A 39 ARG N A 39 ARG CA A 39 ARG C A 40 THR N 1.0 134.8 174.8 PSI 35 35 A 39 ARG C A 40 THR N A 40 THR CA A 40 THR C 1.0 -148.7 -107.3 PHI 36 36 A 40 THR N A 40 THR CA A 40 THR C A 41 GLY N 1.0 134.2 174.2 PSI 37 37 A 41 GLY C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -87.4 -47.4 PHI 38 38 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 GLU N 1.0 -44.5 -4.5 PSI 39 39 A 42 ALA C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -116.9 -76.9 PHI 40 40 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 CYS N 1.0 -16.1 23.9 PSI 41 41 A 47 THR C A 48 MET N A 48 MET CA A 48 MET C 1.0 -145.9 -105.9 PHI 42 42 A 48 MET N A 48 MET CA A 48 MET C A 49 LYS N 1.0 122.6 162.6 PSI 43 43 A 48 MET C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -158.2 -118.2 PHI 44 44 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 THR N 1.0 116.7 156.7 PSI 45 45 A 49 LYS C A 50 THR N A 50 THR CA A 50 THR C 1.0 -142.8 -102.8 PHI 46 46 A 50 THR N A 50 THR CA A 50 THR C A 51 GLN N 1.0 109.6 149.6 PSI 47 47 A 50 THR C A 51 GLN N A 51 GLN CA A 51 GLN C 1.0 -147.8 -107.8 PHI 48 48 A 51 GLN N A 51 GLN CA A 51 GLN C A 52 ARG N 1.0 123.6 163.6 PSI 49 49 A 51 GLN C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -124.4 -84.4 PHI 50 50 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 CYS N 1.0 106.7 146.7 PSI 51 51 A 53 CYS C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -146.1 -106.1 PHI 52 52 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 ILE N 1.0 113.1 153.1 PSI 53 53 A 54 LYS C A 55 ILE N A 55 ILE CA A 55 ILE C 1.0 -137.9 -97.9 PHI 54 54 A 55 ILE N A 55 ILE CA A 55 ILE C A 56 PRO N 1.0 99.7 139.7 PSI 55 55 A 57 CYS C A 58 ASN N A 58 ASN CA A 58 ASN C 1.0 -95.7 -55.7 PHI 56 56 A 58 ASN N A 58 ASN CA A 58 ASN C A 59 TRP N 1.0 117.5 157.5 PSI 57 57 A 65 ALA C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -115.8 -75.8 PHI 58 58 A 66 GLU N A 66 GLU CA A 66 GLU C A 67 CYS N 1.0 -32.8 7.2 PSI 59 59 A 67 CYS C A 68 LYS N A 68 LYS CA A 68 LYS C 1.0 -140.3 -100.3 PHI 60 60 A 68 LYS N A 68 LYS CA A 68 LYS C A 69 TYR N 1.0 116.8 156.8 PSI 61 61 A 68 LYS C A 69 TYR N A 69 TYR CA A 69 TYR C 1.0 -144.8 -104.8 PHI 62 62 A 69 TYR N A 69 TYR CA A 69 TYR C A 70 GLN N 1.0 120.9 160.9 PSI 63 63 A 69 TYR C A 70 GLN N A 70 GLN CA A 70 GLN C 1.0 -133.1 -93.1 PHI 64 64 A 70 GLN N A 70 GLN CA A 70 GLN C A 71 PHE N 1.0 109.9 149.9 PSI 65 65 A 70 GLN C A 71 PHE N A 71 PHE CA A 71 PHE C 1.0 -102.7 -62.7 PHI 66 66 A 71 PHE N A 71 PHE CA A 71 PHE C A 72 GLN N 1.0 114.1 155.3 PSI 67 67 A 71 PHE C A 72 GLN N A 72 GLN CA A 72 GLN C 1.0 -123.6 -79.6 PHI 68 68 A 72 GLN N A 72 GLN CA A 72 GLN C A 73 ALA N 1.0 127.0 167.0 PSI 69 69 A 73 ALA C A 74 TRP N A 74 TRP CA A 74 TRP C 1.0 -111.6 -71.6 PHI 70 70 A 74 TRP N A 74 TRP CA A 74 TRP C A 75 GLY N 1.0 -36.0 4.0 PSI 71 71 A 75 GLY C A 76 GLU N A 76 GLU CA A 76 GLU C 1.0 -125.6 -85.6 PHI 72 72 A 76 GLU N A 76 GLU CA A 76 GLU C A 77 CYS N 1.0 108.7 148.7 PSI 73 73 A 77 CYS C A 78 ASP N A 78 ASP CA A 78 ASP C 1.0 -103.5 -63.5 PHI 74 74 A 78 ASP N A 78 ASP CA A 78 ASP C A 79 LEU N 1.0 102.1 142.1 PSI 75 75 A 78 ASP C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -83.5 -43.5 PHI 76 76 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 ASN N 1.0 -40.3 -0.3 PSI 77 77 A 79 LEU C A 80 ASN N A 80 ASN CA A 80 ASN C 1.0 -93.8 -53.8 PHI 78 78 A 80 ASN N A 80 ASN CA A 80 ASN C A 81 THR N 1.0 -45.8 -5.8 PSI 79 79 A 80 ASN C A 81 THR N A 81 THR CA A 81 THR C 1.0 -117.4 -77.4 PHI 80 80 A 81 THR N A 81 THR CA A 81 THR C A 82 ALA N 1.0 -15.3 24.7 PSI 81 81 A 81 THR C A 82 ALA N A 82 ALA CA A 82 ALA C 1.0 44.7 84.7 PHI 82 82 A 82 ALA N A 82 ALA CA A 82 ALA C A 83 LEU N 1.0 10.2 50.2 PSI 83 83 A 82 ALA C A 83 LEU N A 83 LEU CA A 83 LEU C 1.0 -129.9 -89.9 PHI 84 84 A 83 LEU N A 83 LEU CA A 83 LEU C A 84 LYS N 1.0 127.7 167.7 PSI 85 85 A 83 LEU C A 84 LYS N A 84 LYS CA A 84 LYS C 1.0 -151.2 -111.2 PHI 86 86 A 84 LYS N A 84 LYS CA A 84 LYS C A 85 THR N 1.0 122.7 162.7 PSI 87 87 A 84 LYS C A 85 THR N A 85 THR CA A 85 THR C 1.0 -148.9 -108.9 PHI 88 88 A 85 THR N A 85 THR CA A 85 THR C A 86 ARG N 1.0 114.9 154.9 PSI 89 89 A 85 THR C A 86 ARG N A 86 ARG CA A 86 ARG C 1.0 -149.3 -109.3 PHI 90 90 A 86 ARG N A 86 ARG CA A 86 ARG C A 87 THR N 1.0 114.8 154.8 PSI 91 91 A 86 ARG C A 87 THR N A 87 THR CA A 87 THR C 1.0 -134.1 -94.1 PHI 92 92 A 87 THR N A 87 THR CA A 87 THR C A 88 GLY N 1.0 117.9 157.9 PSI 93 93 A 87 THR C A 88 GLY N A 88 GLY CA A 88 GLY C 1.0 -183.7 -128.7 PHI 94 94 A 88 GLY N A 88 GLY CA A 88 GLY C A 89 SER N 1.0 143.9 183.9 PSI 95 95 A 88 GLY C A 89 SER N A 89 SER CA A 89 SER C 1.0 -144.4 -89.8 PHI 96 96 A 89 SER N A 89 SER CA A 89 SER C A 90 LEU N 1.0 113.2 153.2 PSI 97 97 A 89 SER C A 90 LEU N A 90 LEU CA A 90 LEU C 1.0 -99.9 -59.9 PHI 98 98 A 90 LEU N A 90 LEU CA A 90 LEU C A 91 LYS N 1.0 100.3 140.3 PSI 99 99 A 90 LEU C A 91 LYS N A 91 LYS CA A 91 LYS C 1.0 -115.5 -75.5 PHI 100 100 A 91 LYS C A 92 ARG N A 92 ARG CA A 92 ARG C 1.0 -164.8 -124.8 PHI 101 101 A 92 ARG N A 92 ARG CA A 92 ARG C A 93 ALA N 1.0 120.2 160.2 PSI 102 102 A 92 ARG C A 93 ALA N A 93 ALA CA A 93 ALA C 1.0 -133.8 -93.8 PHI 103 103 A 93 ALA N A 93 ALA CA A 93 ALA C A 94 LEU N 1.0 116.2 156.2 PSI 104 104 A 93 ALA C A 94 LEU N A 94 LEU CA A 94 LEU C 1.0 -103.7 -63.7 PHI 105 105 A 94 LEU N A 94 LEU CA A 94 LEU C A 95 HIS N 1.0 126.0 174.2 PSI 106 106 A 94 LEU C A 95 HIS N A 95 HIS CA A 95 HIS C 1.0 -93.2 -53.2 PHI 107 107 A 95 HIS N A 95 HIS CA A 95 HIS C A 96 ASN N 1.0 -33.1 6.9 PSI 108 108 A 97 ALA C A 98 GLU N A 98 GLU CA A 98 GLU C 1.0 -116.4 -76.4 PHI 109 109 A 98 GLU N A 98 GLU CA A 98 GLU C A 99 CYS N 1.0 111.7 151.9 PSI 110 110 A 99 CYS C A 100 GLN N A 100 GLN CA A 100 GLN C 1.0 -101.9 -61.9 PHI 111 111 A 100 GLN N A 100 GLN CA A 100 GLN C A 101 LYS N 1.0 117.6 157.6 PSI 112 112 A 100 GLN C A 101 LYS N A 101 LYS CA A 101 LYS C 1.0 -103.9 -63.9 PHI 113 113 A 101 LYS N A 101 LYS CA A 101 LYS C A 102 THR N 1.0 -56.3 -16.3 PSI 114 114 A 101 LYS C A 102 THR N A 102 THR CA A 102 THR C 1.0 -158.8 -118.8 PHI 115 115 A 102 THR N A 102 THR CA A 102 THR C A 103 VAL N 1.0 139.8 179.8 PSI 116 116 A 102 THR C A 103 VAL N A 103 VAL CA A 103 VAL C 1.0 -150.7 -110.7 PHI 117 117 A 103 VAL N A 103 VAL CA A 103 VAL C A 104 THR N 1.0 126.6 166.6 PSI 118 118 A 103 VAL C A 104 THR N A 104 THR CA A 104 THR C 1.0 -141.3 -101.3 PHI 119 119 A 104 THR N A 104 THR CA A 104 THR C A 105 ILE N 1.0 110.8 150.8 PSI 120 120 A 104 THR C A 105 ILE N A 105 ILE CA A 105 ILE C 1.0 -154.9 -114.9 PHI 121 121 A 105 ILE N A 105 ILE CA A 105 ILE C A 106 SER N 1.0 119.8 159.8 PSI 122 122 A 105 ILE C A 106 SER N A 106 SER CA A 106 SER C 1.0 -144.9 -104.9 PHI 123 123 A 106 SER N A 106 SER CA A 106 SER C A 107 LYS N 1.0 118.3 158.3 PSI 124 124 A 106 SER C A 107 LYS N A 107 LYS CA A 107 LYS C 1.0 -146.5 -106.5 PHI 125 125 A 107 LYS N A 107 LYS CA A 107 LYS C A 108 PRO N 1.0 107.4 151.8 PSI stop_ save_