data_nef_c30123_5kk9 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 30119 BMRB 30120 PDB 5KK9 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 1 ACE C 1 2 MET N 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 0 ACE start . . 2 A 1 MET middle -H2 . 3 A 2 ASN middle . . 4 A 3 TRP middle . . 5 A 4 THR middle . . 6 A 5 GLY middle . false 7 A 6 LEU middle . . 8 A 7 TYR middle . . 9 A 8 THR middle . . 10 A 9 LEU middle . . 11 A 10 LEU middle . . 12 A 11 SER middle . . 13 A 12 ARG middle . . 14 A 13 VAL middle . . 15 A 14 ASN middle . . 16 A 15 ARG middle . . 17 A 16 HIS middle . . 18 A 17 SER middle . . 19 A 18 THR middle . . 20 A 19 ALA middle . . 21 A 20 ILE middle . . 22 A 21 GLY middle . false 23 A 22 ARG end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET H H 1 8.3500 0.02 A 1 MET HBx H 1 1.8200 0.02 A 1 MET HBy H 1 1.8200 0.02 A 1 MET HGy H 1 2.4100 0.02 A 1 MET CA C 13 56.5770 0.02 A 1 MET CB C 13 32.7010 0.02 A 2 ASN H H 1 8.4560 0.02 A 2 ASN HA H 1 4.7090 0.02 A 2 ASN HBx H 1 2.7370 0.02 A 2 ASN HD2x H 1 6.9300 0.02 A 2 ASN HD2y H 1 7.6140 0.02 A 2 ASN CA C 13 53.1380 0.02 A 2 ASN CB C 13 38.6800 0.02 A 3 TRP H H 1 8.2540 0.02 A 3 TRP HA H 1 4.6990 0.02 A 3 TRP HBx H 1 3.2640 0.02 A 3 TRP HBy H 1 3.3330 0.02 A 3 TRP HD1 H 1 7.2720 0.02 A 3 TRP HE1 H 1 10.1580 0.02 A 3 TRP HE3 H 1 7.5940 0.02 A 3 TRP HH2 H 1 7.1920 0.02 A 3 TRP HZ2 H 1 7.4590 0.02 A 3 TRP HZ3 H 1 7.0920 0.02 A 3 TRP CA C 13 57.8510 0.02 A 3 TRP CB C 13 29.5230 0.02 A 4 THR H H 1 8.0620 0.02 A 4 THR HA H 1 4.1990 0.02 A 4 THR HB H 1 4.1860 0.02 A 4 THR HG2% H 1 1.1240 0.02 A 4 THR CA C 13 62.7400 0.02 A 4 THR CB C 13 69.7600 0.02 A 5 GLY H H 1 7.7600 0.02 A 5 GLY HAx H 1 3.7690 0.02 A 5 GLY CA C 13 45.6200 0.02 A 6 LEU H H 1 7.9410 0.02 A 6 LEU HA H 1 4.2320 0.02 A 6 LEU HBy H 1 1.4940 0.02 A 6 LEU HDx% H 1 0.8250 0.02 A 6 LEU HDy% H 1 0.8730 0.02 A 6 LEU HG H 1 1.4910 0.02 A 6 LEU CA C 13 56.2710 0.02 A 6 LEU CB C 13 42.1300 0.02 A 7 TYR H H 1 8.2520 0.02 A 7 TYR HA H 1 4.5260 0.02 A 7 TYR HBx H 1 2.9460 0.02 A 7 TYR HBy H 1 3.0980 0.02 A 7 TYR HDx H 1 7.0760 0.02 A 7 TYR HEx H 1 6.7850 0.02 A 7 TYR CA C 13 58.4700 0.02 A 7 TYR CB C 13 38.4340 0.02 A 8 THR H H 1 8.0210 0.02 A 8 THR HA H 1 4.2040 0.02 A 8 THR HB H 1 4.2040 0.02 A 8 THR HG2% H 1 1.1870 0.02 A 8 THR CA C 13 62.7000 0.02 A 8 THR CB C 13 69.7190 0.02 A 9 LEU H H 1 8.1100 0.02 A 9 LEU HA H 1 4.2600 0.02 A 9 LEU HBy H 1 1.6470 0.02 A 9 LEU HDx% H 1 0.9300 0.02 A 9 LEU HDy% H 1 0.8800 0.02 A 9 LEU CA C 13 56.1200 0.02 A 9 LEU CB C 13 42.1150 0.02 A 10 LEU H H 1 8.1960 0.02 A 10 LEU HA H 1 4.2770 0.02 A 10 LEU HBx H 1 1.5690 0.02 A 10 LEU HDx% H 1 0.9050 0.02 A 10 LEU HDy% H 1 0.8500 0.02 A 10 LEU HG H 1 1.6760 0.02 A 10 LEU CA C 13 56.2300 0.02 A 10 LEU CB C 13 42.0850 0.02 A 11 SER H H 1 8.1340 0.02 A 11 SER HA H 1 4.3610 0.02 A 11 SER HBx H 1 3.8370 0.02 A 11 SER HBy H 1 3.9030 0.02 A 11 SER CA C 13 58.9170 0.02 A 11 SER CB C 13 63.8060 0.02 A 12 ARG H H 1 8.1960 0.02 A 12 ARG HA H 1 4.3320 0.02 A 12 ARG HBx H 1 1.8060 0.02 A 12 ARG HBy H 1 1.9130 0.02 A 12 ARG HDy H 1 3.1740 0.02 A 12 ARG HE H 1 7.2050 0.02 A 12 ARG HGx H 1 1.6710 0.02 A 12 ARG CA C 13 56.5780 0.02 A 12 ARG CB C 13 30.6350 0.02 A 13 VAL H H 1 8.0120 0.02 A 13 VAL HA H 1 4.0480 0.02 A 13 VAL HB H 1 2.0550 0.02 A 13 VAL HGx% H 1 0.9090 0.02 A 13 VAL HGy% H 1 0.9390 0.02 A 13 VAL CA C 13 62.8000 0.02 A 13 VAL CB C 13 32.6530 0.02 A 14 ASN H H 1 8.4870 0.02 A 14 ASN HA H 1 4.7120 0.02 A 14 ASN HBx H 1 2.7540 0.02 A 14 ASN HBy H 1 2.8410 0.02 A 14 ASN HD2x H 1 6.9770 0.02 A 14 ASN HD2y H 1 7.6480 0.02 A 14 ASN CA C 13 53.1500 0.02 A 14 ASN CB C 13 38.7620 0.02 A 15 ARG H H 1 8.3330 0.02 A 15 ARG HA H 1 4.2810 0.02 A 15 ARG HBx H 1 1.7170 0.02 A 15 ARG HBy H 1 1.8120 0.02 A 15 ARG HDx H 1 3.1570 0.02 A 15 ARG HGx H 1 1.5470 0.02 A 15 ARG CA C 13 56.3000 0.02 A 15 ARG CB C 13 30.6620 0.02 A 16 HIS H H 1 8.4610 0.02 A 16 HIS HA H 1 4.7140 0.02 A 16 HIS HBx H 1 3.1450 0.02 A 16 HIS HBy H 1 3.2270 0.02 A 16 HIS HD1 H 1 7.1550 0.02 A 16 HIS HE1 H 1 8.1650 0.02 A 16 HIS CA C 13 56.3000 0.02 A 16 HIS CB C 13 30.0540 0.02 A 17 SER H H 1 8.3310 0.02 A 17 SER HA H 1 4.5130 0.02 A 17 SER HBx H 1 3.8590 0.02 A 17 SER HBy H 1 3.9200 0.02 A 17 SER CA C 13 58.4000 0.02 A 17 SER CB C 13 63.8000 0.02 A 18 THR H H 1 8.3170 0.02 A 18 THR HA H 1 4.3720 0.02 A 18 THR HB H 1 4.2910 0.02 A 18 THR HG2% H 1 1.2430 0.02 A 18 THR CA C 13 61.9170 0.02 A 18 THR CB C 13 69.7950 0.02 A 19 ALA H H 1 8.3410 0.02 A 19 ALA HA H 1 4.3680 0.02 A 19 ALA HB% H 1 1.3840 0.02 A 19 ALA CA C 13 52.5490 0.02 A 19 ALA CB C 13 19.2450 0.02 A 20 ILE H H 1 8.1640 0.02 A 20 ILE HA H 1 4.1650 0.02 A 20 ILE HB H 1 1.8810 0.02 A 20 ILE HD1% H 1 0.8810 0.02 A 20 ILE HG1x H 1 1.2230 0.02 A 20 ILE HG1y H 1 1.5030 0.02 A 20 ILE HG2% H 1 0.9380 0.02 A 20 ILE CA C 13 61.3970 0.02 A 20 ILE CB C 13 38.7150 0.02 A 21 GLY H H 1 8.5330 0.02 A 21 GLY HAy H 1 3.9540 0.02 A 21 GLY CA C 13 45.3980 0.02 A 22 ARG H H 1 7.8700 0.02 A 22 ARG HA H 1 4.2180 0.02 A 22 ARG HBx H 1 1.7250 0.02 A 22 ARG HBy H 1 1.8740 0.02 A 22 ARG HDy H 1 3.1870 0.02 A 22 ARG HE H 1 7.2080 0.02 A 22 ARG HGy H 1 1.5880 0.02 A 22 ARG CA C 13 57.2350 0.02 A 22 ARG CB C 13 30.5400 0.02 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 1 MET HA A 1 MET HBx 1.0 1.8 3.0 2 1 A 1 MET HBy A 1 MET HA 1.0 1.8 3.0 3 2 A 1 MET HA A 1 MET HGx 1.0 1.8 5.0 4 2 A 1 MET HGy A 1 MET HA 1.0 1.8 5.0 5 3 A 2 ASN H A 2 ASN HBx 1.0 1.8 5.0 6 3 A 2 ASN H A 2 ASN HBy 1.0 1.8 5.0 7 4 A 2 ASN H A 2 ASN HBx 1.0 1.8 5.0 8 4 A 2 ASN H A 2 ASN HBy 1.0 1.8 5.0 9 5 A 2 ASN HBx A 2 ASN HD2y 1.0 1.8 3.7 10 5 A 2 ASN HBy A 2 ASN HD2y 1.0 1.8 3.7 11 5 A 2 ASN HD2x A 2 ASN HBx 1.0 1.8 3.7 12 5 A 2 ASN HBy A 2 ASN HD2x 1.0 1.8 3.7 13 6 A 2 ASN HBx A 2 ASN HD2y 1.0 1.8 3.7 14 6 A 2 ASN HBy A 2 ASN HD2y 1.0 1.8 3.7 15 6 A 2 ASN HD2x A 2 ASN HBx 1.0 1.8 3.7 16 6 A 2 ASN HBy A 2 ASN HD2x 1.0 1.8 3.7 17 7 A 2 ASN HBx A 2 ASN HD2y 1.0 1.8 5.0 18 7 A 2 ASN HBy A 2 ASN HD2y 1.0 1.8 5.0 19 7 A 2 ASN HD2x A 2 ASN HBx 1.0 1.8 5.0 20 7 A 2 ASN HBy A 2 ASN HD2x 1.0 1.8 5.0 21 8 A 2 ASN HBx A 2 ASN HD2y 1.0 1.8 5.0 22 8 A 2 ASN HBy A 2 ASN HD2y 1.0 1.8 5.0 23 8 A 2 ASN HD2x A 2 ASN HBx 1.0 1.8 5.0 24 8 A 2 ASN HBy A 2 ASN HD2x 1.0 1.8 5.0 25 9 A 2 ASN HA A 2 ASN HBx 1.0 1.8 3.0 26 9 A 2 ASN HBy A 2 ASN HA 1.0 1.8 3.0 27 10 A 3 TRP HE3 A 3 TRP HA 1.0 1.8 4.2 28 11 A 3 TRP HA A 3 TRP HBx 1.0 1.8 3.7 29 11 A 3 TRP HA A 3 TRP HBy 1.0 1.8 3.7 30 12 A 3 TRP H A 3 TRP HBx 1.0 1.8 3.7 31 12 A 3 TRP HBy A 3 TRP H 1.0 1.8 3.7 32 13 A 3 TRP HA A 3 TRP H 1.0 1.8 3.0 33 14 A 3 TRP HA A 3 TRP HBx 1.0 1.8 3.7 34 14 A 3 TRP HA A 3 TRP HBy 1.0 1.8 3.7 35 15 A 3 TRP H A 3 TRP HBx 1.0 1.8 3.7 36 15 A 3 TRP HBy A 3 TRP H 1.0 1.8 3.7 37 16 A 3 TRP HA A 3 TRP HD1 1.0 1.8 4.2 38 17 A 3 TRP HD1 A 3 TRP HBx 1.0 1.8 3.7 39 17 A 3 TRP HBy A 3 TRP HD1 1.0 1.8 3.7 40 18 A 3 TRP HD1 A 3 TRP HBx 1.0 1.8 3.0 41 18 A 3 TRP HBy A 3 TRP HD1 1.0 1.8 3.0 42 19 A 3 TRP HE3 A 3 TRP HBx 1.0 1.8 3.7 43 19 A 3 TRP HE3 A 3 TRP HBy 1.0 1.8 3.7 44 20 A 3 TRP H A 3 TRP HD1 1.0 1.8 3.7 45 21 A 3 TRP HE3 A 3 TRP H 1.0 1.8 5.0 46 22 A 3 TRP HE3 A 3 TRP HBx 1.0 1.8 3.7 47 22 A 3 TRP HE3 A 3 TRP HBy 1.0 1.8 3.7 48 23 A 4 THR H A 4 THR HA 1.0 1.8 3.0 49 24 A 4 THR H A 4 THR HG1 1.0 1.8 3.7 50 25 A 4 THR HA A 4 THR HG1 1.0 1.8 3.0 51 26 A 5 GLY H A 5 GLY HAx 1.0 1.8 3.0 52 26 A 5 GLY H A 5 GLY HAy 1.0 1.8 3.0 53 27 A 6 LEU H A 6 LEU HDy% 1.0 1.8 5.0 54 28 A 6 LEU H A 6 LEU HA 1.0 1.8 3.0 55 29 A 6 LEU H A 6 LEU HBx 1.0 1.8 3.0 56 29 A 6 LEU H A 6 LEU HBy 1.0 1.8 3.0 57 30 A 6 LEU H A 6 LEU HDx% 1.0 1.8 5.0 58 31 A 6 LEU HA A 6 LEU HDx% 1.0 1.8 3.7 59 32 A 6 LEU HA A 6 LEU HBx 1.0 1.8 3.0 60 32 A 6 LEU HA A 6 LEU HBy 1.0 1.8 3.0 61 33 A 7 TYR HEx A 7 TYR HBx 1.0 1.8 5.0 62 33 A 7 TYR HEx A 7 TYR HBy 1.0 1.8 5.0 63 34 A 7 TYR HDx A 7 TYR HA 1.0 1.8 3.7 64 35 A 7 TYR HEx A 7 TYR HBx 1.0 1.8 5.0 65 35 A 7 TYR HEx A 7 TYR HBy 1.0 1.8 5.0 66 36 A 7 TYR HEx A 7 TYR HA 1.0 1.8 5.5 67 37 A 7 TYR HA A 7 TYR HBx 1.0 1.8 3.7 68 37 A 7 TYR HBy A 7 TYR HA 1.0 1.8 3.7 69 38 A 7 TYR HA A 7 TYR HBx 1.0 1.8 3.7 70 38 A 7 TYR HBy A 7 TYR HA 1.0 1.8 3.7 71 39 A 7 TYR HDx A 7 TYR HBx 1.0 1.8 3.0 72 39 A 7 TYR HBy A 7 TYR HDx 1.0 1.8 3.0 73 40 A 7 TYR HDx A 7 TYR HBx 1.0 1.8 3.0 74 40 A 7 TYR HBy A 7 TYR HDx 1.0 1.8 3.0 75 41 A 7 TYR H A 7 TYR HBx 1.0 1.8 3.0 76 41 A 7 TYR HBy A 7 TYR H 1.0 1.8 3.0 77 42 A 7 TYR H A 7 TYR HBx 1.0 1.8 3.0 78 42 A 7 TYR HBy A 7 TYR H 1.0 1.8 3.0 79 43 A 7 TYR HA A 7 TYR H 1.0 1.8 3.7 80 44 A 7 TYR HDx A 7 TYR H 1.0 1.8 3.7 81 45 A 8 THR H A 8 THR HA 1.0 1.8 3.0 82 46 A 8 THR HG1 A 8 THR HB 1.0 1.8 3.0 83 47 A 8 THR H A 8 THR HG1 1.0 1.8 3.7 84 48 A 9 LEU HDx% A 9 LEU HA 1.0 1.8 3.0 85 49 A 9 LEU HA A 9 LEU HBx 1.0 1.8 3.0 86 49 A 9 LEU HA A 9 LEU HBy 1.0 1.8 3.0 87 50 A 9 LEU HA A 9 LEU HDy% 1.0 1.8 3.7 88 51 A 9 LEU HDx% A 9 LEU H 1.0 1.8 5.0 89 52 A 9 LEU H A 9 LEU HBx 1.0 1.8 3.0 90 52 A 9 LEU HBy A 9 LEU H 1.0 1.8 3.0 91 53 A 9 LEU HDy% A 9 LEU H 1.0 1.8 5.0 92 54 A 9 LEU HDx% A 9 LEU HBx 1.0 1.8 3.0 93 54 A 9 LEU HDx% A 9 LEU HBy 1.0 1.8 3.0 94 55 A 10 LEU H A 10 LEU HDy% 1.0 1.8 3.7 95 56 A 10 LEU H A 10 LEU HDx% 1.0 1.8 5.0 96 57 A 10 LEU HDy% A 10 LEU HG 1.0 1.8 3.0 97 58 A 10 LEU H A 10 LEU HG 1.0 1.8 3.0 98 59 A 10 LEU H A 10 LEU HBx 1.0 1.8 3.7 99 59 A 10 LEU H A 10 LEU HBy 1.0 1.8 3.7 100 60 A 10 LEU HDx% A 10 LEU HA 1.0 1.8 4.0 101 61 A 10 LEU HA A 10 LEU HBx 1.0 1.8 3.0 102 61 A 10 LEU HBy A 10 LEU HA 1.0 1.8 3.0 103 62 A 11 SER HA A 11 SER HBx 1.0 1.8 3.7 104 62 A 11 SER HBy A 11 SER HA 1.0 1.8 3.7 105 63 A 11 SER HA A 11 SER H 1.0 1.8 3.0 106 64 A 11 SER H A 11 SER HBx 1.0 1.8 3.0 107 64 A 11 SER HBy A 11 SER H 1.0 1.8 3.0 108 65 A 11 SER H A 11 SER HBx 1.0 1.8 3.7 109 65 A 11 SER HBy A 11 SER H 1.0 1.8 3.7 110 66 A 11 SER HA A 11 SER HBx 1.0 1.8 3.7 111 66 A 11 SER HBy A 11 SER HA 1.0 1.8 3.7 112 67 A 12 ARG HA A 12 ARG HDx 1.0 1.8 5.0 113 67 A 12 ARG HDy A 12 ARG HA 1.0 1.8 5.0 114 68 A 12 ARG H A 12 ARG HBx 1.0 1.8 5.0 115 68 A 12 ARG H A 12 ARG HBy 1.0 1.8 5.0 116 69 A 12 ARG HA A 12 ARG HGx 1.0 1.8 3.7 117 69 A 12 ARG HA A 12 ARG HGy 1.0 1.8 3.7 118 70 A 12 ARG HA A 12 ARG HBx 1.0 1.8 3.0 119 70 A 12 ARG HA A 12 ARG HBy 1.0 1.8 3.0 120 71 A 12 ARG HE A 12 ARG HDx 1.0 1.8 5.0 121 71 A 12 ARG HDy A 12 ARG HE 1.0 1.8 5.0 122 72 A 13 VAL H A 13 VAL HA 1.0 1.8 3.0 123 73 A 13 VAL HGy% A 13 VAL HB 1.0 1.8 3.0 124 74 A 13 VAL H A 13 VAL HGx% 1.0 1.8 3.7 125 75 A 13 VAL HB A 13 VAL HGx% 1.0 1.8 3.0 126 76 A 13 VAL H A 13 VAL HGy% 1.0 1.8 3.0 127 77 A 13 VAL H A 13 VAL HB 1.0 1.8 3.0 128 78 A 13 VAL HA A 13 VAL HB 1.0 1.8 3.0 129 79 A 13 VAL HA A 13 VAL HGx% 1.0 1.8 3.0 130 80 A 13 VAL HA A 13 VAL HGy% 1.0 1.8 3.0 131 81 A 14 ASN H A 14 ASN HBx 1.0 1.8 3.7 132 81 A 14 ASN H A 14 ASN HBy 1.0 1.8 3.7 133 82 A 14 ASN H A 14 ASN HA 1.0 1.8 3.7 134 83 A 14 ASN HBy A 14 ASN HD2y 1.0 1.8 5.0 135 83 A 14 ASN HBx A 14 ASN HD2y 1.0 1.8 5.0 136 83 A 14 ASN HD2x A 14 ASN HBx 1.0 1.8 5.0 137 83 A 14 ASN HBy A 14 ASN HD2x 1.0 1.8 5.0 138 84 A 14 ASN H A 14 ASN HBx 1.0 1.8 3.7 139 84 A 14 ASN H A 14 ASN HBy 1.0 1.8 3.7 140 85 A 14 ASN HA A 14 ASN HBx 1.0 1.8 3.0 141 85 A 14 ASN HBy A 14 ASN HA 1.0 1.8 3.0 142 86 A 14 ASN HA A 14 ASN HBx 1.0 1.8 3.0 143 86 A 14 ASN HBy A 14 ASN HA 1.0 1.8 3.0 144 87 A 14 ASN HBy A 14 ASN HD2y 1.0 1.8 5.0 145 87 A 14 ASN HBx A 14 ASN HD2y 1.0 1.8 5.0 146 87 A 14 ASN HD2x A 14 ASN HBx 1.0 1.8 5.0 147 87 A 14 ASN HBy A 14 ASN HD2x 1.0 1.8 5.0 148 88 A 14 ASN HBy A 14 ASN HD2y 1.0 1.8 3.7 149 88 A 14 ASN HBx A 14 ASN HD2y 1.0 1.8 3.7 150 88 A 14 ASN HD2x A 14 ASN HBx 1.0 1.8 3.7 151 88 A 14 ASN HBy A 14 ASN HD2x 1.0 1.8 3.7 152 89 A 14 ASN HA A 14 ASN HD2y 1.0 1.8 5.0 153 89 A 14 ASN HA A 14 ASN HD2x 1.0 1.8 5.0 154 90 A 14 ASN HBy A 14 ASN HD2y 1.0 1.8 3.7 155 90 A 14 ASN HBx A 14 ASN HD2y 1.0 1.8 3.7 156 90 A 14 ASN HD2x A 14 ASN HBx 1.0 1.8 3.7 157 90 A 14 ASN HBy A 14 ASN HD2x 1.0 1.8 3.7 158 91 A 15 ARG H A 15 ARG HBx 1.0 1.8 5.0 159 91 A 15 ARG H A 15 ARG HBy 1.0 1.8 5.0 160 92 A 15 ARG H A 15 ARG HGx 1.0 1.8 5.0 161 92 A 15 ARG H A 15 ARG HGy 1.0 1.8 5.0 162 93 A 15 ARG HA A 15 ARG HBx 1.0 1.8 3.0 163 93 A 15 ARG HBy A 15 ARG HA 1.0 1.8 3.0 164 94 A 15 ARG HA A 15 ARG HDx 1.0 1.8 5.0 165 94 A 15 ARG HA A 15 ARG HDy 1.0 1.8 5.0 166 95 A 16 HIS HD1 A 16 HIS HA 1.0 1.8 5.0 167 96 A 16 HIS HD1 A 16 HIS HBx 1.0 1.8 5.0 168 96 A 16 HIS HD1 A 16 HIS HBy 1.0 1.8 5.0 169 97 A 16 HIS HA A 16 HIS HBx 1.0 1.8 3.7 170 97 A 16 HIS HA A 16 HIS HBy 1.0 1.8 3.7 171 98 A 16 HIS HD1 A 16 HIS HBx 1.0 1.8 5.0 172 98 A 16 HIS HD1 A 16 HIS HBy 1.0 1.8 5.0 173 99 A 16 HIS HA A 16 HIS H 1.0 1.8 3.7 174 100 A 17 SER H A 17 SER HBx 1.0 1.8 5.0 175 100 A 17 SER H A 17 SER HBy 1.0 1.8 5.0 176 101 A 17 SER H A 17 SER HA 1.0 1.8 3.0 177 102 A 17 SER H A 17 SER HBx 1.0 1.8 5.0 178 102 A 17 SER H A 17 SER HBy 1.0 1.8 5.0 179 103 A 18 THR H A 18 THR HG1 1.0 1.8 5.0 180 104 A 18 THR HG1 A 18 THR HB 1.0 1.8 3.0 181 105 A 18 THR HG1 A 18 THR HA 1.0 1.8 3.0 182 106 A 19 ALA H A 19 ALA HA 1.0 1.8 3.0 183 107 A 19 ALA HA A 19 ALA HB% 1.0 1.8 3.0 184 108 A 19 ALA H A 19 ALA HB% 1.0 1.8 3.7 185 109 A 20 ILE H A 20 ILE HG1x 1.0 1.8 5.0 186 109 A 20 ILE H A 20 ILE HG1y 1.0 1.8 5.0 187 110 A 20 ILE H A 20 ILE HG1x 1.0 1.8 5.0 188 110 A 20 ILE H A 20 ILE HG1y 1.0 1.8 5.0 189 111 A 20 ILE H A 20 ILE HG2% 1.0 1.8 5.0 190 112 A 20 ILE HB A 20 ILE HA 1.0 1.8 3.7 191 113 A 20 ILE HG2% A 20 ILE HA 1.0 1.8 3.7 192 114 A 20 ILE H A 20 ILE HA 1.0 1.8 3.0 193 115 A 20 ILE H A 20 ILE HB 1.0 1.8 3.7 194 116 A 21 GLY H A 21 GLY HAx 1.0 1.8 3.0 195 116 A 21 GLY H A 21 GLY HAy 1.0 1.8 3.0 196 117 A 22 ARG H A 22 ARG HBx 1.0 1.8 5.0 197 117 A 22 ARG H A 22 ARG HBy 1.0 1.8 5.0 198 118 A 22 ARG H A 22 ARG HA 1.0 1.8 3.0 199 119 A 2 ASN H A 1 MET HBx 1.0 1.8 5.0 200 119 A 1 MET HBy A 2 ASN H 1.0 1.8 5.0 201 120 A 1 MET HA A 2 ASN H 1.0 1.8 3.0 202 121 A 3 TRP H A 2 ASN HBx 1.0 1.8 3.7 203 121 A 2 ASN HBy A 3 TRP H 1.0 1.8 3.7 204 122 A 3 TRP H A 2 ASN HBx 1.0 1.8 5.0 205 122 A 2 ASN HBy A 3 TRP H 1.0 1.8 5.0 206 123 A 3 TRP HE3 A 4 THR HG1 1.0 1.8 5.0 207 124 A 4 THR HG1 A 3 TRP HZ3 1.0 1.8 5.0 208 125 A 3 TRP HE3 A 4 THR HA 1.0 1.8 5.0 209 126 A 3 TRP HD1 A 4 THR H 1.0 1.8 5.0 210 127 A 4 THR H A 3 TRP HBx 1.0 1.8 5.0 211 127 A 3 TRP HBy A 4 THR H 1.0 1.8 5.0 212 128 A 4 THR H A 3 TRP HBx 1.0 1.8 5.0 213 128 A 3 TRP HBy A 4 THR H 1.0 1.8 5.0 214 129 A 3 TRP HD1 A 4 THR HA 1.0 1.8 5.5 215 130 A 3 TRP HA A 4 THR H 1.0 1.8 3.7 216 131 A 4 THR HA A 3 TRP HZ3 1.0 1.8 3.7 217 132 A 3 TRP H A 4 THR H 1.0 1.8 3.7 218 133 A 4 THR H A 5 GLY H 1.0 1.8 5.0 219 134 A 4 THR HG1 A 5 GLY H 1.0 1.8 5.0 220 135 A 4 THR HA A 5 GLY H 1.0 1.8 3.7 221 136 A 6 LEU H A 5 GLY HAx 1.0 1.8 3.0 222 136 A 5 GLY HAy A 6 LEU H 1.0 1.8 3.0 223 137 A 5 GLY H A 6 LEU H 1.0 1.8 3.7 224 138 A 6 LEU HDy% A 7 TYR H 1.0 1.8 5.0 225 139 A 7 TYR H A 6 LEU HBx 1.0 1.8 3.7 226 139 A 6 LEU HBy A 7 TYR H 1.0 1.8 3.7 227 140 A 7 TYR HDx A 6 LEU HG 1.0 1.8 5.0 228 141 A 6 LEU HDy% A 7 TYR HEx 1.0 1.8 5.0 229 142 A 6 LEU HDx% A 7 TYR HEx 1.0 1.8 5.0 230 143 A 6 LEU H A 7 TYR H 1.0 1.8 3.0 231 144 A 6 LEU HDx% A 7 TYR H 1.0 1.8 5.0 232 145 A 6 LEU HA A 7 TYR H 1.0 1.8 3.0 233 146 A 8 THR HA A 7 TYR HBx 1.0 1.8 5.0 234 146 A 7 TYR HBy A 8 THR HA 1.0 1.8 5.0 235 147 A 7 TYR H A 8 THR HG1 1.0 1.8 5.0 236 148 A 8 THR H A 7 TYR HBx 1.0 1.8 5.0 237 148 A 7 TYR HBy A 8 THR H 1.0 1.8 5.0 238 149 A 7 TYR H A 8 THR H 1.0 1.8 3.7 239 150 A 7 TYR HEx A 8 THR HG1 1.0 1.8 5.0 240 151 A 8 THR HA A 7 TYR HBx 1.0 1.8 5.0 241 151 A 7 TYR HBy A 8 THR HA 1.0 1.8 5.0 242 152 A 7 TYR HDx A 8 THR HG1 1.0 1.8 5.0 243 153 A 7 TYR HA A 8 THR H 1.0 1.8 3.7 244 154 A 7 TYR HDx A 8 THR H 1.0 1.8 5.0 245 155 A 8 THR H A 7 TYR HBx 1.0 1.8 3.7 246 155 A 7 TYR HBy A 8 THR H 1.0 1.8 3.7 247 156 A 8 THR HA A 9 LEU H 1.0 1.8 3.0 248 157 A 8 THR HG1 A 9 LEU H 1.0 1.8 3.7 249 158 A 8 THR H A 9 LEU H 1.0 1.8 3.7 250 159 A 8 THR HB A 9 LEU HDy% 1.0 1.8 5.0 251 160 A 9 LEU HA A 10 LEU H 1.0 1.8 3.0 252 161 A 10 LEU HA A 11 SER H 1.0 1.8 3.5 253 162 A 11 SER H A 10 LEU HBx 1.0 1.8 5.0 254 162 A 10 LEU HBy A 11 SER H 1.0 1.8 5.0 255 163 A 10 LEU HDy% A 11 SER H 1.0 1.8 5.0 256 164 A 12 ARG H A 11 SER HBx 1.0 1.8 5.0 257 164 A 11 SER HBy A 12 ARG H 1.0 1.8 5.0 258 165 A 12 ARG H A 11 SER HBx 1.0 1.8 5.0 259 165 A 11 SER HBy A 12 ARG H 1.0 1.8 5.0 260 166 A 13 VAL H A 12 ARG HBx 1.0 1.8 5.0 261 166 A 12 ARG HBy A 13 VAL H 1.0 1.8 5.0 262 167 A 12 ARG HA A 13 VAL H 1.0 1.8 3.0 263 168 A 13 VAL H A 12 ARG HBx 1.0 1.8 5.0 264 168 A 12 ARG HBy A 13 VAL H 1.0 1.8 5.0 265 169 A 12 ARG HA A 13 VAL HGy% 1.0 1.8 5.0 266 170 A 12 ARG H A 13 VAL H 1.0 1.8 3.7 267 171 A 13 VAL H A 14 ASN H 1.0 1.8 3.7 268 172 A 13 VAL HGx% A 14 ASN HA 1.0 1.8 5.0 269 173 A 13 VAL HB A 14 ASN H 1.0 1.8 5.0 270 174 A 13 VAL HGy% A 14 ASN H 1.0 1.8 5.0 271 175 A 13 VAL HGx% A 14 ASN HD2y 1.0 1.8 5.0 272 175 A 13 VAL HGx% A 14 ASN HD2x 1.0 1.8 5.0 273 176 A 13 VAL HGx% A 14 ASN H 1.0 1.8 5.0 274 177 A 13 VAL HGy% A 14 ASN HD2y 1.0 1.8 5.0 275 177 A 13 VAL HGy% A 14 ASN HD2x 1.0 1.8 5.0 276 178 A 13 VAL HA A 14 ASN H 1.0 1.8 3.0 277 179 A 13 VAL HGy% A 14 ASN HD2y 1.0 1.8 5.0 278 179 A 13 VAL HGy% A 14 ASN HD2x 1.0 1.8 5.0 279 180 A 16 HIS HD1 A 15 ARG HGx 1.0 1.8 5.0 280 180 A 15 ARG HGy A 16 HIS HD1 1.0 1.8 5.0 281 181 A 16 HIS HA A 17 SER H 1.0 1.8 3.7 282 182 A 19 ALA HA A 20 ILE H 1.0 1.8 3.0 283 183 A 19 ALA HB% A 20 ILE H 1.0 1.8 5.0 284 184 A 19 ALA H A 20 ILE H 1.0 1.8 5.0 285 185 A 20 ILE HB A 21 GLY H 1.0 1.8 5.0 286 186 A 20 ILE HA A 21 GLY H 1.0 1.8 3.0 287 187 A 20 ILE HG2% A 21 GLY H 1.0 1.8 5.0 288 188 A 20 ILE H A 21 GLY H 1.0 1.8 5.0 289 189 A 21 GLY H A 22 ARG H 1.0 1.8 5.0 290 190 A 22 ARG H A 21 GLY HAx 1.0 1.8 3.0 291 190 A 21 GLY HAy A 22 ARG H 1.0 1.8 3.0 292 191 A 3 TRP HD1 A 1 MET HBx 1.0 1.8 5.0 293 191 A 1 MET HBy A 3 TRP HD1 1.0 1.8 5.0 294 192 A 3 TRP HZ2 A 1 MET HBx 1.0 1.8 5.0 295 192 A 1 MET HBy A 3 TRP HZ2 1.0 1.8 5.0 296 193 A 3 TRP HZ2 A 1 MET HGx 1.0 1.8 5.0 297 193 A 1 MET HGy A 3 TRP HZ2 1.0 1.8 5.0 298 194 A 2 ASN HD2x A 5 GLY HAx 1.0 1.8 5.0 299 194 A 2 ASN HD2y A 5 GLY HAx 1.0 1.8 5.0 300 194 A 5 GLY HAy A 2 ASN HD2y 1.0 1.8 5.0 301 194 A 2 ASN HD2x A 5 GLY HAy 1.0 1.8 5.0 302 195 A 3 TRP HE3 A 6 LEU HDx% 1.0 1.8 3.7 303 196 A 3 TRP HE3 A 6 LEU HDy% 1.0 1.8 5.0 304 197 A 3 TRP HA A 6 LEU HBx 1.0 1.8 5.0 305 197 A 3 TRP HA A 6 LEU HBy 1.0 1.8 5.0 306 198 A 6 LEU HDy% A 3 TRP HZ2 1.0 1.8 5.0 307 199 A 3 TRP HE3 A 6 LEU HBx 1.0 1.8 5.0 308 199 A 3 TRP HE3 A 6 LEU HBy 1.0 1.8 5.0 309 200 A 6 LEU HDy% A 3 TRP HBx 1.0 1.8 5.0 310 200 A 3 TRP HBy A 6 LEU HDy% 1.0 1.8 5.0 311 201 A 6 LEU HDy% A 3 TRP HBx 1.0 1.8 5.0 312 201 A 3 TRP HBy A 6 LEU HDy% 1.0 1.8 5.0 313 202 A 3 TRP HA A 6 LEU H 1.0 1.8 5.0 314 203 A 3 TRP HA A 6 LEU HDy% 1.0 1.8 5.0 315 204 A 6 LEU HDx% A 3 TRP HZ3 1.0 1.8 3.7 316 205 A 7 TYR HDx A 3 TRP HBx 1.0 1.8 5.0 317 205 A 3 TRP HBy A 7 TYR HDx 1.0 1.8 5.0 318 206 A 6 LEU HDy% A 3 TRP HH2 1.0 1.8 5.0 319 207 A 6 LEU HDy% A 3 TRP HZ3 1.0 1.8 5.0 320 208 A 3 TRP HD1 A 6 LEU HDy% 1.0 1.8 5.0 321 209 A 6 LEU HDx% A 3 TRP HH2 1.0 1.8 5.0 322 210 A 6 LEU HDx% A 3 TRP HZ2 1.0 1.8 5.0 323 211 A 7 TYR HEx A 4 THR HB 1.0 1.8 5.0 324 212 A 10 LEU H A 6 LEU HBx 1.0 1.8 5.0 325 212 A 6 LEU HBy A 10 LEU H 1.0 1.8 5.0 326 213 A 7 TYR HEx A 10 LEU HDy% 1.0 1.8 5.0 327 214 A 7 TYR HEx A 9 LEU HBx 1.0 1.8 5.0 328 214 A 7 TYR HEx A 9 LEU HBy 1.0 1.8 5.0 329 215 A 7 TYR HA A 10 LEU H 1.0 1.8 5.0 330 216 A 7 TYR HA A 10 LEU HG 1.0 1.8 5.0 331 217 A 7 TYR H A 10 LEU HDy% 1.0 1.8 5.0 332 218 A 8 THR HG1 A 10 LEU H 1.0 1.8 5.0 333 219 A 8 THR HG1 A 12 ARG HDx 1.0 1.8 5.0 334 219 A 8 THR HG1 A 12 ARG HDy 1.0 1.8 5.0 335 220 A 13 VAL H A 9 LEU HBx 1.0 1.8 5.0 336 220 A 9 LEU HBy A 13 VAL H 1.0 1.8 5.0 337 221 A 10 LEU HDy% A 12 ARG HBx 1.0 1.8 5.0 338 221 A 10 LEU HDy% A 12 ARG HBy 1.0 1.8 5.0 339 222 A 10 LEU HA A 13 VAL H 1.0 1.8 5.0 340 223 A 13 VAL H A 10 LEU HBx 1.0 1.8 5.0 341 223 A 10 LEU HBy A 13 VAL H 1.0 1.8 5.0 342 224 A 13 VAL HB A 15 ARG HA 1.0 1.8 5.0 343 225 A 6 LEU H A 13 VAL HGx% 1.0 1.8 5.0 stop_ save_