data_nef_c25643_2n3e 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 2N3E stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 MET middle . . 3 A 3 GLY middle . false 4 A 4 GLN middle . . 5 A 5 ALA middle . . 6 A 6 ASN middle . . 7 A 7 THR middle . . 8 A 8 PRO middle . false 9 A 9 TRP middle . . 10 A 10 SER middle . . 11 A 11 SER middle . . 12 A 12 LYS middle . . 13 A 13 ALA middle . . 14 A 14 ASN middle . . 15 A 15 ALA middle . . 16 A 16 ASP middle . . 17 A 17 ALA middle . . 18 A 18 PHE middle . . 19 A 19 ILE middle . . 20 A 20 ASN middle . . 21 A 21 SER middle . . 22 A 22 PHE middle . . 23 A 23 ILE middle . . 24 A 24 SER middle . . 25 A 25 ALA middle . . 26 A 26 ALA middle . . 27 A 27 SER middle . . 28 A 28 ASN middle . . 29 A 29 THR middle . . 30 A 30 GLY middle . false 31 A 31 SER middle . . 32 A 32 PHE middle . . 33 A 33 SER middle . . 34 A 34 GLN middle . . 35 A 35 ASP middle . . 36 A 36 GLN middle . . 37 A 37 MET middle . . 38 A 38 GLU middle . . 39 A 39 ASN middle . . 40 A 40 MET middle . . 41 A 41 SER middle . . 42 A 42 LEU middle . . 43 A 43 ILE middle . . 44 A 44 GLY middle . false 45 A 45 ASN middle . . 46 A 46 THR middle . . 47 A 47 LEU middle . . 48 A 48 MET middle . . 49 A 49 ALA middle . . 50 A 50 ALA middle . . 51 A 51 MET middle . . 52 A 52 ASP middle . . 53 A 53 ASN middle . . 54 A 54 MET middle . . 55 A 55 GLY middle . false 56 A 56 GLY middle . false 57 A 57 ARG middle . . 58 A 58 ILE middle . . 59 A 59 THR middle . . 60 A 60 PRO middle . false 61 A 61 SER middle . . 62 A 62 LYS middle . . 63 A 63 LEU middle . . 64 A 64 GLN middle . . 65 A 65 ALA middle . . 66 A 66 LEU middle . . 67 A 67 ASP middle . . 68 A 68 MET middle . . 69 A 69 ALA middle . . 70 A 70 PHE middle . . 71 A 71 ALA middle . . 72 A 72 SER middle . . 73 A 73 SER middle . . 74 A 74 VAL middle . . 75 A 75 ALA middle . . 76 A 76 GLN middle . . 77 A 77 ILE middle . . 78 A 78 ALA middle . . 79 A 79 ALA middle . . 80 A 80 SER middle . . 81 A 81 GLN middle . . 82 A 82 GLY middle . false 83 A 83 GLY middle . false 84 A 84 ASP middle . . 85 A 85 LEU middle . . 86 A 86 GLY middle . false 87 A 87 VAL middle . . 88 A 88 THR middle . . 89 A 89 THR middle . . 90 A 90 ASN middle . . 91 A 91 ALA middle . . 92 A 92 ILE middle . . 93 A 93 ALA middle . . 94 A 94 ASP middle . . 95 A 95 ALA middle . . 96 A 96 LEU middle . . 97 A 97 THR middle . . 98 A 98 SER middle . . 99 A 99 ALA middle . . 100 A 100 PHE middle . . 101 A 101 TYR middle . . 102 A 102 GLN middle . . 103 A 103 THR middle . . 104 A 104 THR middle . . 105 A 105 GLY middle . false 106 A 106 VAL middle . . 107 A 107 VAL middle . . 108 A 108 ASN middle . . 109 A 109 SER middle . . 110 A 110 ARG middle . . 111 A 111 PHE middle . . 112 A 112 ILE middle . . 113 A 113 SER middle . . 114 A 114 GLU middle . . 115 A 115 ILE middle . . 116 A 116 ARG middle . . 117 A 117 SER middle . . 118 A 118 LEU middle . . 119 A 119 ILE middle . . 120 A 120 GLY middle . false 121 A 121 MET middle . . 122 A 122 PHE middle . . 123 A 123 ALA middle . . 124 A 124 GLN middle . . 125 A 125 ALA middle . . 126 A 126 SER middle . . 127 A 127 ALA middle . . 128 A 128 ASN middle . . 129 A 129 ASP middle . . 130 A 130 VAL middle . . 131 A 131 TYR middle . . 132 A 132 ALA middle . . 133 A 133 SER middle . . 134 A 134 ALA middle . . 135 A 135 GLY middle . false 136 A 136 SER middle . . 137 A 137 GLY end . false 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 3 GLY H H 1 8.27 0 A 3 GLY CA C 13 45.5 0.11 A 3 GLY N N 15 108.15 0.09 A 4 GLN H H 1 8.14 0 A 4 GLN HA H 1 4.21 0.01 A 4 GLN HBy H 1 2.01 0.04 A 4 GLN HBx H 1 1.87 0.04 A 4 GLN CA C 13 55.9 0.04 A 4 GLN CB C 13 29.49 0.05 A 4 GLN CG C 13 33.89 0.03 A 4 GLN N N 15 119.7 0.03 A 5 ALA H H 1 8.18 0.01 A 5 ALA HA H 1 4.17 0.03 A 5 ALA HB% H 1 1.26 0.03 A 5 ALA CA C 13 52.88 0.23 A 5 ALA CB C 13 19.22 0.07 A 5 ALA N N 15 124.13 0.04 A 6 ASN H H 1 8.34 0.01 A 6 ASN HA H 1 4.5 0.17 A 6 ASN HD21 H 1 7.39 0.00 A 6 ASN HD22 H 1 6.75 0.00 A 6 ASN CA C 13 52.6 0.03 A 6 ASN CB C 13 37.98 0 A 6 ASN N N 15 118.55 0.03 A 7 THR H H 1 7.48 0.01 A 7 THR HA H 1 4.58 0.02 A 7 THR HB H 1 3.95 0.04 A 7 THR HG2% H 1 0.92 0.02 A 7 THR CA C 13 56.79 0.06 A 7 THR CB C 13 69.25 0.04 A 7 THR CG2 C 13 19.64 0.07 A 7 THR N N 15 115.3 0.03 A 8 PRO HA H 1 3.83 0 A 9 TRP H H 1 7.19 0.02 A 9 TRP HA H 1 4.81 0.03 A 9 TRP HBy H 1 3.87 0.04 A 9 TRP HBx H 1 3.34 0.01 A 9 TRP HD1 H 1 6.9 0.02 A 9 TRP HE3 H 1 6.56 0 A 9 TRP HH2 H 1 6.16 0.02 A 9 TRP HZ2 H 1 6.68 0.01 A 9 TRP HZ3 H 1 7.17 0.01 A 9 TRP CA C 13 52.9 0.05 A 9 TRP CB C 13 28.76 0.08 A 9 TRP CD1 C 13 128.87 0 A 9 TRP CE3 C 13 119.83 0.06 A 9 TRP CH2 C 13 122.9 0.07 A 9 TRP CZ2 C 13 113.4 0 A 9 TRP CZ3 C 13 121.18 0.08 A 9 TRP N N 15 113.18 0.05 A 10 SER H H 1 7.2 0.01 A 10 SER HA H 1 4.71 0.01 A 10 SER HBx H 1 3.77 0.04 A 10 SER HBy H 1 3.93 0.03 A 10 SER CA C 13 59.76 0.06 A 10 SER CB C 13 63.22 0.24 A 10 SER N N 15 110.44 0.04 A 11 SER H H 1 7.46 0.05 A 11 SER HA H 1 4.52 0.03 A 11 SER HB2 H 1 4.1 0.03 A 11 SER HB3 H 1 4.1 0.03 A 11 SER CA C 13 56.93 0.06 A 11 SER CB C 13 65.85 0.11 A 11 SER N N 15 112 0.03 A 12 LYS H H 1 7.99 0.01 A 12 LYS HA H 1 3.94 0.02 A 12 LYS HBx H 1 1.82 0.02 A 12 LYS HBy H 1 1.84 0.03 A 12 LYS HDy H 1 1.71 0.03 A 12 LYS HDx H 1 1.62 0.03 A 12 LYS HEx H 1 2.92 0.02 A 12 LYS HEy H 1 2.93 0.02 A 12 LYS HG2 H 1 1.46 0.04 A 12 LYS HG3 H 1 1.46 0.04 A 12 LYS CA C 13 60.63 0.14 A 12 LYS CB C 13 32.1 0.06 A 12 LYS CD C 13 29.48 0.16 A 12 LYS CE C 13 42.12 0.08 A 12 LYS CG C 13 25.8 0.07 A 12 LYS N N 15 120.31 0.09 A 13 ALA H H 1 8.36 0.01 A 13 ALA HA H 1 4.16 0.04 A 13 ALA HB% H 1 1.33 0.03 A 13 ALA CA C 13 55.08 0.09 A 13 ALA CB C 13 18.15 0.07 A 13 ALA N N 15 119.83 0.04 A 14 ASN H H 1 7.96 0.01 A 14 ASN HA H 1 4.36 0.02 A 14 ASN HBx H 1 2.61 0.06 A 14 ASN HBy H 1 2.71 0.03 A 14 ASN CA C 13 56.14 0.11 A 14 ASN CB C 13 38.29 0.09 A 14 ASN N N 15 119.06 0.03 A 15 ALA H H 1 8.44 0.03 A 15 ALA HA H 1 4.34 0.03 A 15 ALA HB% H 1 1.64 0.03 A 15 ALA CA C 13 55.87 0.22 A 15 ALA CB C 13 19.55 0.07 A 15 ALA N N 15 125.51 0.02 A 16 ASP H H 1 8.39 0.01 A 16 ASP HA H 1 4.36 0.02 A 16 ASP HBx H 1 2.63 0.03 A 16 ASP HBy H 1 2.78 0 A 16 ASP CA C 13 57.35 0.12 A 16 ASP CB C 13 42.31 0.08 A 16 ASP N N 15 118.08 0.05 A 17 ALA H H 1 7.65 0.01 A 17 ALA HA H 1 4.11 0.02 A 17 ALA HB% H 1 1.49 0.02 A 17 ALA CA C 13 55.1 0.07 A 17 ALA CB C 13 18.28 0.1 A 17 ALA N N 15 120.35 0.02 A 18 PHE H H 1 8.65 0.01 A 18 PHE HA H 1 3.77 0.03 A 18 PHE HBx H 1 2.88 0.01 A 18 PHE HBy H 1 2.9 0.03 A 18 PHE HD1 H 1 6.37 0.02 A 18 PHE HD2 H 1 6.37 0.02 A 18 PHE HE1 H 1 5.59 0.01 A 18 PHE HE2 H 1 5.59 0.01 A 18 PHE HZ H 1 6.09 0.03 A 18 PHE CA C 13 62.18 0.04 A 18 PHE CB C 13 39.62 0.09 A 18 PHE CD1 C 13 131.23 0.06 A 18 PHE CD2 C 13 131.23 0.06 A 18 PHE CE1 C 13 130.06 0.05 A 18 PHE CE2 C 13 130.06 0.05 A 18 PHE CZ C 13 128.6 0.06 A 18 PHE N N 15 121.31 0.04 A 19 ILE H H 1 8.92 0.01 A 19 ILE HA H 1 3.46 0.03 A 19 ILE HB H 1 2.13 0.03 A 19 ILE HD1% H 1 0.96 0.01 A 19 ILE HG12 H 1 1.37 0.06 A 19 ILE HG13 H 1 1.37 0.06 A 19 ILE HG2% H 1 0.94 0.04 A 19 ILE CA C 13 65.01 0.05 A 19 ILE CB C 13 37.21 0.08 A 19 ILE CD1 C 13 13 0.06 A 19 ILE CG1 C 13 29.79 0.12 A 19 ILE CG2 C 13 18.01 0.24 A 19 ILE N N 15 119.77 0.04 A 20 ASN H H 1 8.44 0.01 A 20 ASN HA H 1 4.37 0.02 A 20 ASN HBy H 1 2.73 0.11 A 20 ASN HBx H 1 2.64 0.03 A 20 ASN HD2y H 1 7.38 0.01 A 20 ASN HD2x H 1 6.73 0.01 A 20 ASN CA C 13 57.1 0.12 A 20 ASN CB C 13 38.33 0.05 A 20 ASN N N 15 116.91 0.04 A 20 ASN ND2 N 15 114.47 0.05 A 21 SER H H 1 8.13 0.01 A 21 SER HA H 1 4.12 0.03 A 21 SER HBy H 1 3.85 0.04 A 21 SER HBx H 1 3.69 0.02 A 21 SER CA C 13 62.69 0.1 A 21 SER CB C 13 62.8 0.09 A 21 SER N N 15 117 0.08 A 22 PHE H H 1 8.53 0.01 A 22 PHE HA H 1 3.97 0.02 A 22 PHE HBy H 1 3.01 0.04 A 22 PHE HBx H 1 2.39 0.03 A 22 PHE HD1 H 1 6.88 0.02 A 22 PHE HD2 H 1 6.88 0.02 A 22 PHE HE1 H 1 7.19 0.02 A 22 PHE HE2 H 1 7.19 0.02 A 22 PHE HZ H 1 6.89 0.01 A 22 PHE CA C 13 60.92 0.07 A 22 PHE CB C 13 38.38 0.09 A 22 PHE CD1 C 13 131.81 0.07 A 22 PHE CD2 C 13 131.81 0.07 A 22 PHE CE1 C 13 130.39 0.05 A 22 PHE CE2 C 13 130.39 0.05 A 22 PHE CZ C 13 128.91 0.08 A 22 PHE N N 15 124.18 0.03 A 23 ILE H H 1 8.6 0.01 A 23 ILE HA H 1 3.03 0.02 A 23 ILE HB H 1 1.85 0.04 A 23 ILE HG12 H 1 1.16 0.06 A 23 ILE HG13 H 1 1.16 0.06 A 23 ILE HG2% H 1 0.71 0.02 A 23 ILE CA C 13 64.56 0.24 A 23 ILE CB C 13 37.2 0.09 A 23 ILE CD1 C 13 12.7 0.2 A 23 ILE CG1 C 13 29.15 0.13 A 23 ILE CG2 C 13 16.8 0.18 A 23 ILE N N 15 120.16 0.04 A 24 SER H H 1 7.89 0.01 A 24 SER HA H 1 4.05 0.03 A 24 SER HB2 H 1 3.87 0.03 A 24 SER HB3 H 1 3.87 0.03 A 24 SER CA C 13 61.79 0.11 A 24 SER CB C 13 62.84 0.07 A 24 SER N N 15 114.9 0.05 A 25 ALA H H 1 8.1 0.01 A 25 ALA HA H 1 4.08 0.05 A 25 ALA HB% H 1 1.54 0.04 A 25 ALA CA C 13 55.17 0.14 A 25 ALA CB C 13 18.21 0.13 A 25 ALA N N 15 123.19 0.03 A 26 ALA H H 1 8.85 0.01 A 26 ALA HA H 1 4.1 0.03 A 26 ALA HB% H 1 1.52 0.03 A 26 ALA CA C 13 55.55 0.18 A 26 ALA CB C 13 16.39 0.02 A 26 ALA N N 15 122.04 0.03 A 27 SER H H 1 8.55 0.02 A 27 SER HA H 1 4.16 0.06 A 27 SER HB2 H 1 4.01 0.02 A 27 SER HB3 H 1 4.01 0.02 A 27 SER CA C 13 62.11 0.29 A 27 SER CB C 13 62.93 0.07 A 27 SER N N 15 116.72 0.04 A 28 ASN H H 1 7.68 0.03 A 28 ASN HA H 1 4.59 0.02 A 28 ASN HBx H 1 2.85 0.04 A 28 ASN HBy H 1 2.86 0.04 A 28 ASN HD2y H 1 7.49 0.00 A 28 ASN HD2x H 1 6.83 0.00 A 28 ASN CA C 13 54.81 0.06 A 28 ASN CB C 13 39.03 0.04 A 28 ASN N N 15 117.81 0.03 A 29 THR H H 1 7.57 0.01 A 29 THR HA H 1 4.17 0.03 A 29 THR HB H 1 4.31 0.03 A 29 THR HG1 H 1 5.17 0.02 A 29 THR HG2% H 1 1.6 0.02 A 29 THR CA C 13 64.53 0.05 A 29 THR CB C 13 71.26 0.1 A 29 THR CG2 C 13 21.64 0.08 A 29 THR N N 15 109.08 0.02 A 30 GLY H H 1 7.55 0.02 A 30 GLY HAy H 1 4.08 0.03 A 30 GLY HAx H 1 3.92 0.04 A 30 GLY CA C 13 46.21 0.08 A 30 GLY N N 15 108.75 0.05 A 31 SER H H 1 7.82 0.03 A 31 SER HA H 1 4.12 0.02 A 31 SER HBy H 1 4.04 0.07 A 31 SER HBx H 1 3.95 0.05 A 31 SER CA C 13 59.75 0.1 A 31 SER CB C 13 64.02 0.13 A 31 SER N N 15 114.87 0.01 A 32 PHE H H 1 8.14 0.02 A 32 PHE HA H 1 4.86 0.03 A 32 PHE HB2 H 1 2.6 0.03 A 32 PHE HB3 H 1 2.6 0.03 A 32 PHE HD1 H 1 7.01 0.03 A 32 PHE HD2 H 1 7.01 0.03 A 32 PHE HE1 H 1 6.92 0.01 A 32 PHE HE2 H 1 6.92 0.01 A 32 PHE HZ H 1 7.02 0.01 A 32 PHE CA C 13 56.46 0.05 A 32 PHE CB C 13 41.23 0.08 A 32 PHE CD1 C 13 132.22 0.06 A 32 PHE CD2 C 13 132.22 0.06 A 32 PHE CE1 C 13 130.04 0.08 A 32 PHE CE2 C 13 130.04 0.08 A 32 PHE CZ C 13 129 0.15 A 32 PHE N N 15 117.84 0.03 A 33 SER H H 1 9.41 0.01 A 33 SER HA H 1 4.47 0.02 A 33 SER HBy H 1 4.09 0.07 A 33 SER HBx H 1 4.02 0.03 A 33 SER CA C 13 56.88 0.12 A 33 SER CB C 13 65.74 0.1 A 33 SER N N 15 120.05 0.02 A 34 GLN H H 1 9 0.01 A 34 GLN HA H 1 3.98 0.02 A 34 GLN HBy H 1 2.13 0.03 A 34 GLN HBx H 1 2.03 0.03 A 34 GLN HE22 H 1 6.79 0.00 A 34 GLN HG2 H 1 2.38 0.04 A 34 GLN HG3 H 1 2.38 0.04 A 34 GLN CA C 13 59.61 0.08 A 34 GLN CB C 13 28.16 0.07 A 34 GLN CG C 13 33.65 0.13 A 34 GLN N N 15 121.44 0.03 A 35 ASP H H 1 8.39 0.03 A 35 ASP HA H 1 4.37 0.03 A 35 ASP HB2 H 1 2.66 0.03 A 35 ASP HB3 H 1 2.66 0.03 A 35 ASP CA C 13 57.47 0.07 A 35 ASP CB C 13 41.15 0.08 A 35 ASP N N 15 118.15 0.07 A 36 GLN H H 1 7.69 0.02 A 36 GLN HA H 1 3.99 0.07 A 36 GLN HBy H 1 2.02 0.02 A 36 GLN HBx H 1 2 0.02 A 36 GLN HE2y H 1 7.48 0.00 A 36 GLN HE2x H 1 6.81 0.00 A 36 GLN CA C 13 59.37 0.17 A 36 GLN CB C 13 29.93 0.07 A 36 GLN CG C 13 33.88 0.2 A 36 GLN N N 15 118.28 0.06 A 37 MET H H 1 8.32 0.01 A 37 MET HA H 1 4.26 0.04 A 37 MET HB2 H 1 2.18 0.05 A 37 MET HB3 H 1 2.18 0.05 A 37 MET HE% H 1 1.81 0.02 A 37 MET HGy H 1 2.37 0.05 A 37 MET HGx H 1 2.36 0.06 A 37 MET CA C 13 56.6 0.08 A 37 MET CB C 13 29.41 0.02 A 37 MET CG C 13 33.88 0.06 A 37 MET N N 15 117.43 0.02 A 38 GLU H H 1 8.48 0.02 A 38 GLU HA H 1 3.99 0.03 A 38 GLU HB2 H 1 2.08 0.06 A 38 GLU HB3 H 1 2.08 0.06 A 38 GLU HGy H 1 2.39 0.04 A 38 GLU HGx H 1 2.38 0.02 A 38 GLU CA C 13 59.61 0.04 A 38 GLU CB C 13 29.09 0.1 A 38 GLU CG C 13 36.54 0.05 A 38 GLU N N 15 122.27 0.03 A 39 ASN H H 1 7.91 0.02 A 39 ASN HA H 1 4.48 0.02 A 39 ASN HB2 H 1 2.72 0.03 A 39 ASN HB3 H 1 2.72 0.03 A 39 ASN HD21 H 1 7.40 0.03 A 39 ASN CA C 13 56.05 0.06 A 39 ASN CB C 13 37.78 0 A 39 ASN N N 15 119.51 0.09 A 40 MET H H 1 8.57 0.01 A 40 MET HA H 1 3.81 0.03 A 40 MET HBy H 1 2.27 0.03 A 40 MET HBx H 1 2.25 0.02 A 40 MET HG2 H 1 2.59 0.02 A 40 MET HG3 H 1 2.59 0.03 A 40 MET CA C 13 59.96 0.12 A 40 MET CB C 13 34.01 0.11 A 40 MET CG C 13 34.06 0.12 A 40 MET N N 15 121.4 0.04 A 41 SER H H 1 7.97 0.03 A 41 SER CA C 13 61.85 0 A 41 SER N N 15 115.23 0 A 42 LEU H H 1 8.16 0.01 A 42 LEU HA H 1 4.23 0.01 A 42 LEU CA C 13 58.18 0 A 42 LEU N N 15 123.36 0.05 A 44 GLY H H 1 8.62 0.03 A 44 GLY HAy H 1 3.99 0.03 A 44 GLY HAx H 1 3.75 0.02 A 44 GLY CA C 13 48.33 0.06 A 44 GLY N N 15 108 0.04 A 45 ASN H H 1 8.22 0.04 A 45 ASN HA H 1 4.41 0.01 A 45 ASN HB2 H 1 2.86 0.02 A 45 ASN HB3 H 1 2.86 0.02 A 45 ASN CA C 13 56.45 0.14 A 45 ASN CB C 13 37.47 0.31 A 45 ASN N N 15 119.28 0.14 A 46 THR H H 1 8.03 0.03 A 46 THR HA H 1 4.35 0.02 A 46 THR HB H 1 4.22 0.02 A 46 THR HG2% H 1 1.04 0 A 46 THR CA C 13 62.54 0.13 A 46 THR CB C 13 69.95 0.11 A 46 THR CG2 C 13 21.77 0.02 A 46 THR N N 15 117.95 0.09 A 47 LEU H H 1 7.91 0.07 A 47 LEU HB2 H 1 1.55 0.04 A 47 LEU HB3 H 1 1.55 0.03 A 47 LEU CA C 13 55.33 0 A 47 LEU CB C 13 41.99 0.09 A 47 LEU N N 15 122.19 0.01 A 48 MET H H 1 8.25 0.02 A 48 MET HA H 1 4.12 0.01 A 48 MET HB2 H 1 1.89 0.05 A 48 MET HB3 H 1 1.89 0.05 A 48 MET CA C 13 59.23 0.03 A 48 MET CB C 13 34.19 0 A 48 MET N N 15 124.7 0.02 A 49 ALA H H 1 8.18 0.01 A 49 ALA HA H 1 4.17 0 A 49 ALA HB% H 1 1.46 0 A 49 ALA CA C 13 52.59 0.02 A 49 ALA CB C 13 19.44 0 A 50 ALA H H 1 7.86 0.01 A 50 ALA HA H 1 4.14 0.03 A 50 ALA HB% H 1 1.37 0.01 A 50 ALA CA C 13 54.85 0.04 A 50 ALA CB C 13 18.14 0 A 50 ALA N N 15 123.32 0.02 A 51 MET H H 1 8.39 0.02 A 51 MET HA H 1 4.39 0 A 51 MET HB2 H 1 1.93 0 A 51 MET HB3 H 1 1.93 0 A 51 MET HE% H 1 1.84 0 A 51 MET CA C 13 59.58 0.06 A 51 MET CB C 13 29.03 0.01 A 51 MET N N 15 119.32 0.11 A 52 ASP H H 1 7.86 0.02 A 52 ASP HA H 1 4.46 0.03 A 52 ASP HB2 H 1 2.68 0.03 A 52 ASP HB3 H 1 2.68 0.03 A 52 ASP CA C 13 56.66 0.21 A 52 ASP CB C 13 40.86 0.08 A 52 ASP N N 15 119.99 0.03 A 53 ASN H H 1 7.85 0.02 A 53 ASN HA H 1 4.62 0.04 A 53 ASN HB2 H 1 2.67 0.03 A 53 ASN HB3 H 1 2.67 0.03 A 53 ASN HD21 H 1 7.54 0.00 A 53 ASN HD22 H 1 6.85 0.00 A 53 ASN CA C 13 54.4 0.1 A 53 ASN CB C 13 39.16 0.09 A 53 ASN N N 15 117.48 0.04 A 54 MET H H 1 7.78 0.02 A 54 MET HA H 1 4.25 0.02 A 54 MET HBy H 1 2.07 0.02 A 54 MET HBx H 1 2.06 0.01 A 54 MET HE% H 1 1.95 0.01 A 54 MET HGx H 1 2.51 0.02 A 54 MET HGy H 1 2.64 0.02 A 54 MET CA C 13 57.25 0.16 A 54 MET CB C 13 33.18 0.19 A 54 MET CE C 13 17.63 0.2 A 54 MET CG C 13 32.55 0.1 A 54 MET N N 15 118.52 0.06 A 55 GLY H H 1 7.98 0.01 A 55 GLY HAx H 1 3.89 0.03 A 55 GLY HAy H 1 3.9 0.04 A 55 GLY CA C 13 46.27 0.06 A 55 GLY N N 15 107.55 0.06 A 56 GLY H H 1 8.38 0.01 A 56 GLY HAy H 1 3.93 0.04 A 56 GLY HAx H 1 3.9 0.05 A 56 GLY CA C 13 45.44 0.15 A 56 GLY N N 15 107.94 0.03 A 57 ARG H H 1 7.82 0.01 A 57 ARG HA H 1 4.42 0.03 A 57 ARG HBy H 1 1.75 0.05 A 57 ARG HBx H 1 1.73 0.04 A 57 ARG HD2 H 1 3.15 0.02 A 57 ARG HD3 H 1 3.15 0.02 A 57 ARG HGx H 1 1.5 0.03 A 57 ARG HGy H 1 1.55 0.03 A 57 ARG CA C 13 55.31 0.06 A 57 ARG CB C 13 30.33 0.12 A 57 ARG CD C 13 43.42 0.09 A 57 ARG CG C 13 27.13 0.07 A 57 ARG N N 15 121.29 0.09 A 58 ILE H H 1 8.34 0.02 A 58 ILE HA H 1 3.98 0.03 A 58 ILE HB H 1 1.8 0.03 A 58 ILE HD1% H 1 0.81 0.02 A 58 ILE HG12 H 1 1.15 0.02 A 58 ILE HG13 H 1 1.15 0.02 A 58 ILE HG2% H 1 0.8 0.03 A 58 ILE CA C 13 62.09 0.09 A 58 ILE CB C 13 37.88 0.14 A 58 ILE CD1 C 13 12.92 0.07 A 58 ILE CG1 C 13 27.83 0.05 A 58 ILE CG2 C 13 18.03 0.11 A 58 ILE N N 15 124.37 0.03 A 59 THR H H 1 6.79 0.01 A 59 THR HA H 1 4.77 0.03 A 59 THR HB H 1 3.98 0.01 A 59 THR HG2% H 1 0.85 0.04 A 59 THR CA C 13 58.63 0.1 A 59 THR CB C 13 69.27 0 A 59 THR CG2 C 13 22.14 0 A 59 THR N N 15 116.58 0.04 A 61 SER HA H 1 4.29 0 A 61 SER CA C 13 61.13 0 A 62 LYS H H 1 7.58 0 A 62 LYS CA C 13 59.7 0 A 62 LYS N N 15 124.45 0.05 A 63 LEU H H 1 7.83 0.01 A 63 LEU HA H 1 3.92 0.03 A 63 LEU HBy H 1 1.84 0.03 A 63 LEU HBx H 1 1.78 0.08 A 63 LEU HD1% H 1 0.87 0.04 A 63 LEU HD2% H 1 0.87 0.04 A 63 LEU CA C 13 58.27 0.03 A 63 LEU CB C 13 41.22 0.11 A 63 LEU CDy C 13 23.95 0.13 A 63 LEU CDx C 13 23.83 0.04 A 63 LEU CG C 13 25.7 0.18 A 63 LEU N N 15 118.1 0.1 A 64 GLN H H 1 7.84 0.01 A 64 GLN HA H 1 4.07 0.03 A 64 GLN HBy H 1 2.14 0 A 64 GLN HBx H 1 2.06 0 A 64 GLN HE21 H 1 7.38 0 A 64 GLN HE22 H 1 6.77 0 A 64 GLN HG2 H 1 2.32 0 A 64 GLN HG3 H 1 2.32 0 A 64 GLN CA C 13 58.85 0.04 A 64 GLN CB C 13 28.71 0.04 A 64 GLN CG C 13 34.20 0.00 A 64 GLN N N 15 116.98 0.04 A 65 ALA H H 1 7.51 0.01 A 65 ALA HA H 1 4.04 0.04 A 65 ALA HB% H 1 1.38 0.03 A 65 ALA CA C 13 55.27 0.08 A 65 ALA CB C 13 17.7 0.17 A 65 ALA N N 15 121.53 0.04 A 66 LEU H H 1 7.66 0.01 A 66 LEU HA H 1 3.6 0.04 A 66 LEU HB2 H 1 1.35 0.04 A 66 LEU HB3 H 1 1.35 0.04 A 66 LEU HD1% H 1 0.51 0.03 A 66 LEU HD2% H 1 0.51 0.03 A 66 LEU HG H 1 1.45 0.03 A 66 LEU CA C 13 58.03 0.06 A 66 LEU CB C 13 39.95 0.08 A 66 LEU CD1 C 13 22.5 0.14 A 66 LEU CD2 C 13 22.5 0.14 A 66 LEU CG C 13 26.69 0.17 A 67 ASP H H 1 8.47 0.01 A 67 ASP HA H 1 4.41 0.02 A 67 ASP HBx H 1 2.59 0.02 A 67 ASP HBy H 1 2.64 0.05 A 67 ASP CA C 13 58.34 0.03 A 67 ASP CB C 13 40.74 0.06 A 67 ASP N N 15 119.37 0.05 A 68 MET H H 1 7.98 0.01 A 68 MET HA H 1 3.78 0.01 A 68 MET CA C 13 57.89 0 A 68 MET N N 15 116.88 0.02 A 69 ALA H H 1 8.3 0.02 A 69 ALA HA H 1 4.08 0.03 A 69 ALA HB% H 1 1.33 0.02 A 69 ALA CA C 13 55.24 0.11 A 69 ALA CB C 13 17.63 0.06 A 69 ALA N N 15 125.04 0.05 A 70 PHE H H 1 8.49 0.01 A 70 PHE HA H 1 3.93 0.02 A 70 PHE HBy H 1 3.39 0.03 A 70 PHE HBx H 1 3.16 0.03 A 70 PHE HD1 H 1 7.15 0.02 A 70 PHE HD2 H 1 7.15 0.02 A 70 PHE HE1 H 1 6.9 0.01 A 70 PHE HE2 H 1 6.9 0.01 A 70 PHE HZ H 1 6.08 0.01 A 70 PHE CA C 13 62.04 0.1 A 70 PHE CB C 13 39.82 0.06 A 70 PHE CD1 C 13 131.78 0 A 70 PHE CD2 C 13 131.78 0 A 70 PHE CE1 C 13 130.11 0.08 A 70 PHE CE2 C 13 130.11 0.08 A 70 PHE CZ C 13 129.55 0.07 A 70 PHE N N 15 118.72 0.06 A 71 ALA H H 1 8.97 0.02 A 71 ALA HA H 1 3.59 0.02 A 71 ALA HB% H 1 1.38 0.06 A 71 ALA CA C 13 55.52 0.08 A 71 ALA CB C 13 19.66 0.06 A 71 ALA N N 15 119.68 0.04 A 72 SER H H 1 8.56 0.01 A 72 SER HA H 1 4.05 0.02 A 72 SER HBy H 1 3.82 0.03 A 72 SER HBx H 1 3.81 0.01 A 72 SER CA C 13 62.46 0.16 A 72 SER CB C 13 62.43 0.17 A 72 SER N N 15 110.85 0.04 A 73 SER H H 1 7.39 0.03 A 73 SER HA H 1 4.1 0.03 A 73 SER HBx H 1 3.68 0.03 A 73 SER HBy H 1 3.8 0.03 A 73 SER CA C 13 62.77 0.14 A 73 SER CB C 13 62.98 0.09 A 73 SER N N 15 117.78 0.04 A 74 VAL H H 1 7.98 0.05 A 74 VAL HA H 1 3.38 0.02 A 74 VAL HB H 1 1.67 0.03 A 74 VAL HGx% H 1 0.26 0 A 74 VAL HGy% H 1 0.41 0.17 A 74 VAL CA C 13 66.8 0.07 A 74 VAL CB C 13 31.12 0.07 A 74 VAL CG1 C 13 22.47 0.23 A 74 VAL CG2 C 13 22.47 0.23 A 74 VAL N N 15 120.39 0.05 A 75 ALA H H 1 8.38 0.03 A 75 ALA HA H 1 3.85 0.03 A 75 ALA HB% H 1 1.38 0.05 A 75 ALA CA C 13 55.33 0.14 A 75 ALA CB C 13 17.98 0.09 A 75 ALA N N 15 121.42 0.04 A 76 GLN H H 1 8.89 0.01 A 76 GLN HA H 1 4.08 0.03 A 76 GLN HB2 H 1 2.2 0 A 76 GLN HB3 H 1 2.2 0 A 76 GLN HE21 H 1 7.39 0.00 A 76 GLN HE22 H 1 6.77 0.00 A 76 GLN HG2 H 1 2.27 0.03 A 76 GLN HG3 H 1 2.27 0.03 A 76 GLN CA C 13 57.91 0.05 A 76 GLN CB C 13 29.76 0.00 A 76 GLN CG C 13 34.64 0.00 A 76 GLN N N 15 118.53 0.03 A 77 ILE H H 1 7.33 0.03 A 77 ILE HA H 1 3.65 0.02 A 77 ILE HB H 1 1.79 0.03 A 77 ILE HD1% H 1 0.6 0.05 A 77 ILE HG12 H 1 1.03 0.02 A 77 ILE HG13 H 1 1.03 0.02 A 77 ILE HG2% H 1 0.86 0.06 A 77 ILE CA C 13 64.5 0.13 A 77 ILE CB C 13 38.41 0.15 A 77 ILE CD1 C 13 14.04 0.09 A 77 ILE CG1 C 13 28.72 0.14 A 77 ILE CG2 C 13 17.74 0.13 A 78 ALA H H 1 8.53 0.04 A 78 ALA HA H 1 3.93 0.04 A 78 ALA HB% H 1 1.39 0.03 A 78 ALA CA C 13 55.19 0.09 A 78 ALA CB C 13 18.68 0.17 A 78 ALA N N 15 122.51 0.04 A 79 ALA H H 1 8.04 0.01 A 79 ALA HA H 1 4.24 0.02 A 79 ALA HB% H 1 1.45 0.03 A 79 ALA CA C 13 53.55 0.16 A 79 ALA CB C 13 19.38 0.14 A 79 ALA N N 15 116.84 0.12 A 80 SER H H 1 7.65 0.01 A 80 SER HA H 1 4.21 0.03 A 80 SER HBx H 1 4.01 0.02 A 80 SER HBy H 1 4.04 0.04 A 80 SER CA C 13 60.78 0.06 A 80 SER CB C 13 63.88 0.05 A 80 SER N N 15 113.08 0.06 A 81 GLN H H 1 7.73 0.01 A 81 GLN HA H 1 4.36 0.02 A 81 GLN HB2 H 1 2.18 0.03 A 81 GLN HB3 H 1 2.18 0.03 A 81 GLN HE21 H 1 7.47 0.00 A 81 GLN HE22 H 1 6.79 0.00 A 81 GLN HG2 H 1 2.36 0.03 A 81 GLN HG3 H 1 2.36 0.03 A 81 GLN CA C 13 56.08 0.1 A 81 GLN CB C 13 29.52 0.13 A 81 GLN CG C 13 34.07 0.2 A 81 GLN N N 15 119.98 0.03 A 82 GLY H H 1 7.97 0.01 A 82 GLY HAx H 1 3.86 0.03 A 82 GLY HAy H 1 4.03 0.02 A 82 GLY CA C 13 45.47 0.1 A 82 GLY N N 15 107.94 0.04 A 83 GLY H H 1 8.22 0.01 A 83 GLY HAy H 1 4.03 0.02 A 83 GLY HAx H 1 3.86 0.02 A 83 GLY CA C 13 45.04 0.13 A 83 GLY N N 15 108.53 0.11 A 84 ASP H H 1 8.35 0.01 A 84 ASP HA H 1 4.57 0.02 A 84 ASP HBx H 1 2.51 0.02 A 84 ASP HBy H 1 2.8 0.02 A 84 ASP CA C 13 54.09 0.13 A 84 ASP CB C 13 41.62 0.08 A 84 ASP N N 15 121.66 0.02 A 85 LEU H H 1 8.73 0 A 85 LEU HA H 1 4.15 0.02 A 85 LEU HB2 H 1 1.62 0.02 A 85 LEU HB3 H 1 1.62 0.02 A 85 LEU HD1% H 1 0.81 0.03 A 85 LEU HD2% H 1 0.81 0.03 A 85 LEU HG H 1 1.59 0.03 A 85 LEU CA C 13 56.95 0.09 A 85 LEU CB C 13 42 0.09 A 85 LEU CD1 C 13 24.72 0.05 A 85 LEU CD2 C 13 24.72 0.05 A 85 LEU CG C 13 27.08 0.07 A 85 LEU N N 15 128.24 0.03 A 86 GLY H H 1 8.69 0.01 A 86 GLY HAx H 1 3.74 0.02 A 86 GLY HAy H 1 3.89 0.03 A 86 GLY CA C 13 47.67 0.11 A 86 GLY N N 15 111.51 0.02 A 87 VAL H H 1 7.82 0.01 A 87 VAL HA H 1 3.7 0.02 A 87 VAL HB H 1 2.08 0.02 A 87 VAL HGx% H 1 0.85 0.03 A 87 VAL HGy% H 1 0.97 0.02 A 87 VAL CA C 13 66.18 0.07 A 87 VAL CB C 13 32.02 0.07 A 87 VAL CGx C 13 20.96 0.03 A 87 VAL CGy C 13 22.38 0.05 A 87 VAL N N 15 123.05 0.03 A 88 THR H H 1 8.09 0.01 A 88 THR HA H 1 3.68 0.03 A 88 THR HB H 1 4.09 0.02 A 88 THR HG2% H 1 1.19 0.02 A 88 THR CA C 13 66.57 0.1 A 88 THR CB C 13 68.64 0.09 A 88 THR CG2 C 13 22.77 0.18 A 88 THR N N 15 116.52 0.02 A 89 THR H H 1 8.52 0.01 A 89 THR HA H 1 4.21 0.04 A 89 THR HB H 1 4.11 0.04 A 89 THR HG1 H 1 5.11 0 A 89 THR HG2% H 1 1.2 0.01 A 89 THR CA C 13 68.07 0.11 A 89 THR CG2 C 13 21.77 0.05 A 89 THR N N 15 117.19 0.05 A 90 ASN H H 1 7.81 0.01 A 90 ASN HA H 1 4.42 0.02 A 90 ASN HB2 H 1 2.87 0.03 A 90 ASN HB3 H 1 2.87 0.03 A 90 ASN HD21 H 1 6.82 0.00 A 90 ASN HD22 H 1 7.59 0.00 A 90 ASN CA C 13 56.15 0.1 A 90 ASN CB C 13 37.88 0.13 A 90 ASN N N 15 120.41 0.09 A 91 ALA H H 1 8.07 0.02 A 91 ALA HA H 1 4.32 0.03 A 91 ALA HB% H 1 1.54 0.03 A 91 ALA CA C 13 55.5 0.19 A 91 ALA CB C 13 18.45 0.07 A 91 ALA N N 15 123.15 0.04 A 92 ILE H H 1 8.26 0.02 A 92 ILE HA H 1 3.94 0.03 A 92 ILE HB H 1 1.51 0 A 92 ILE HD1% H 1 0.76 0.06 A 92 ILE HG12 H 1 0.67 0.05 A 92 ILE HG13 H 1 0.67 0.05 A 92 ILE HG2% H 1 0.94 0.03 A 92 ILE CA C 13 63.52 0.05 A 92 ILE N N 15 117.98 0.05 A 93 ALA H H 1 8.39 0.01 A 93 ALA HA H 1 4.07 0 A 93 ALA HB% H 1 1.53 0 A 93 ALA CA C 13 56.08 0.06 A 93 ALA CB C 13 18.24 0.02 A 93 ALA N N 15 122.65 0.02 A 94 ASP H H 1 8.84 0.01 A 94 ASP HA H 1 4.4 0.02 A 94 ASP HBx H 1 2.68 0.02 A 94 ASP HBy H 1 2.88 0.02 A 94 ASP CA C 13 57.79 0.07 A 94 ASP CB C 13 40.14 0.04 A 94 ASP N N 15 122.06 0.03 A 95 ALA H H 1 8.41 0.01 A 95 ALA HA H 1 4.12 0.03 A 95 ALA HB% H 1 1.42 0.03 A 95 ALA CA C 13 55.22 0.07 A 95 ALA CB C 13 18.06 0.04 A 95 ALA N N 15 124.38 0.02 A 96 LEU H H 1 8.87 0.02 A 96 LEU HA H 1 4.04 0.03 A 96 LEU HB2 H 1 1.48 0.03 A 96 LEU HB3 H 1 1.48 0.03 A 96 LEU HD1% H 1 0.76 0.03 A 96 LEU HD2% H 1 0.76 0.03 A 96 LEU CA C 13 58.02 0.13 A 96 LEU CB C 13 43.39 0.07 A 96 LEU CD1 C 13 24.9 0.18 A 96 LEU CD2 C 13 24.9 0.18 A 96 LEU CG C 13 28.65 0.01 A 96 LEU N N 15 118.53 0.05 A 97 THR H H 1 8.45 0.03 A 97 THR HA H 1 4.54 0.02 A 97 THR HB H 1 3.81 0.03 A 97 THR HG1 H 1 5.15 0.02 A 97 THR HG2% H 1 1.2 0.06 A 97 THR CA C 13 68.73 0.15 A 97 THR CB C 13 68.65 0.09 A 97 THR CG2 C 13 21.31 0.03 A 97 THR N N 15 117.79 0.03 A 98 SER H H 1 7.9 0.02 A 98 SER HA H 1 4.24 0.03 A 98 SER HB2 H 1 3.96 0.03 A 98 SER HB3 H 1 3.96 0.03 A 98 SER CA C 13 61.89 0.06 A 98 SER CB C 13 63.04 0.05 A 98 SER N N 15 115.21 0.1 A 99 ALA H H 1 8.05 0.02 A 99 ALA HA H 1 4.33 0.03 A 99 ALA HB% H 1 1.52 0.02 A 99 ALA CA C 13 55.33 0.1 A 99 ALA CB C 13 18.18 0.11 A 99 ALA N N 15 123.15 0.04 A 100 PHE H H 1 8.63 0.02 A 100 PHE HA H 1 4.21 0.02 A 100 PHE HBx H 1 2.95 0.03 A 100 PHE HBy H 1 3.27 0.03 A 100 PHE HD1 H 1 7.37 0.01 A 100 PHE HD2 H 1 7.37 0.01 A 100 PHE HE1 H 1 6.91 0.02 A 100 PHE HE2 H 1 6.91 0.02 A 100 PHE HZ H 1 6.26 0.01 A 100 PHE CA C 13 64.11 0.16 A 100 PHE CB C 13 39.18 0.07 A 100 PHE CD1 C 13 132.9 0.05 A 100 PHE CD2 C 13 132.9 0.05 A 100 PHE CE1 C 13 131.08 0.06 A 100 PHE CE2 C 13 131.08 0.06 A 100 PHE CZ C 13 130.09 0.1 A 100 PHE N N 15 118.17 0.02 A 101 TYR H H 1 8.53 0.03 A 101 TYR HA H 1 3.98 0.03 A 101 TYR HB2 H 1 3.1 0.02 A 101 TYR HB3 H 1 3.1 0.02 A 101 TYR HD1 H 1 6.92 0.02 A 101 TYR HD2 H 1 6.92 0.02 A 101 TYR HE1 H 1 6.69 0.01 A 101 TYR HE2 H 1 6.69 0.01 A 101 TYR CA C 13 62.38 0.06 A 101 TYR CB C 13 37.68 0.12 A 101 TYR CD1 C 13 132.17 0.06 A 101 TYR CD2 C 13 132.17 0.06 A 101 TYR CE1 C 13 118.41 0.04 A 101 TYR CE2 C 13 118.41 0.04 A 101 TYR N N 15 120.66 0.03 A 102 GLN H H 1 8.34 0.01 A 102 GLN HA H 1 4.07 0.02 A 102 GLN HBx H 1 2 0.04 A 102 GLN HBy H 1 2.18 0.01 A 102 GLN HE21 H 1 7.31 0 A 102 GLN HE22 H 1 6.95 0 A 102 GLN HGx H 1 2.4 0.01 A 102 GLN HGy H 1 2.56 0.02 A 102 GLN CA C 13 57.86 0.07 A 102 GLN CB C 13 29.72 0.14 A 102 GLN CG C 13 34.59 0.13 A 102 GLN N N 15 114.92 0.04 A 103 THR H H 1 7.53 0.01 A 103 THR HA H 1 4.38 0.02 A 103 THR HB H 1 4.23 0.04 A 103 THR HG1 H 1 5.18 0.03 A 103 THR HG2% H 1 1.15 0.02 A 103 THR CA C 13 62.55 0.05 A 103 THR CB C 13 70.16 0.19 A 103 THR CG2 C 13 21.75 0.08 A 103 THR N N 15 108.79 0.06 A 104 THR H H 1 8.55 0.02 A 104 THR HA H 1 4.43 0.02 A 104 THR HB H 1 4.3 0.02 A 104 THR HG2% H 1 1.11 0.03 A 104 THR CA C 13 62.23 0.1 A 104 THR CB C 13 70.56 0.11 A 104 THR CG2 C 13 21.85 0.07 A 104 THR N N 15 112.18 0.02 A 105 GLY H H 1 8.33 0.01 A 105 GLY HAx H 1 3.8 0.03 A 105 GLY HAy H 1 4.3 0.03 A 105 GLY CA C 13 45.5 0.08 A 105 GLY N N 15 109.48 0.03 A 106 VAL H H 1 7.69 0.01 A 106 VAL HA H 1 4.17 0.02 A 106 VAL HB H 1 1.71 0.03 A 106 VAL HG1% H 1 0.72 0.03 A 106 VAL HG2% H 1 0.72 0.03 A 106 VAL CA C 13 60.88 0.07 A 106 VAL CB C 13 35.01 0.09 A 106 VAL CG1 C 13 20.49 0.11 A 106 VAL CG2 C 13 20.49 0.11 A 106 VAL N N 15 119.71 0.03 A 107 VAL H H 1 8.48 0.02 A 107 VAL HA H 1 4 0.03 A 107 VAL HB H 1 1.79 0.04 A 107 VAL HG1% H 1 0.69 0.02 A 107 VAL HG2% H 1 0.69 0.02 A 107 VAL CA C 13 63.41 0.11 A 107 VAL CB C 13 36.5 0.08 A 107 VAL CG1 C 13 21.57 0.18 A 107 VAL CG2 C 13 21.57 0.18 A 107 VAL N N 15 125.41 0.04 A 109 SER H H 1 7.83 0.01 A 109 SER HA H 1 4.06 0.04 A 109 SER HB2 H 1 3.8 0.02 A 109 SER HB3 H 1 3.8 0.02 A 109 SER CA C 13 61.28 0 A 109 SER CB C 13 61.88 0 A 109 SER N N 15 114.88 0.01 A 110 ARG H H 1 7.58 0.01 A 110 ARG HA H 1 4.04 0.03 A 110 ARG HB2 H 1 1.89 0.03 A 110 ARG HB3 H 1 1.89 0.03 A 110 ARG HDx H 1 3.13 0.03 A 110 ARG HDy H 1 3.15 0.02 A 110 ARG HGy H 1 1.61 0.03 A 110 ARG HGx H 1 1.57 0.04 A 110 ARG CA C 13 59.19 0.14 A 110 ARG CB C 13 29.41 0.06 A 110 ARG CD C 13 43.13 0.05 A 110 ARG CG C 13 27.06 0.09 A 110 ARG N N 15 124.47 0.03 A 111 PHE H H 1 7.47 0.01 A 111 PHE HA H 1 4.22 0.03 A 111 PHE HB2 H 1 2.97 0.05 A 111 PHE HB3 H 1 2.97 0.04 A 111 PHE HD1 H 1 7.23 0.02 A 111 PHE HD2 H 1 7.23 0.02 A 111 PHE CA C 13 60.48 0.08 A 111 PHE CB C 13 39.5 0.08 A 111 PHE CD1 C 13 131.88 0.04 A 111 PHE CD2 C 13 131.88 0.04 A 111 PHE N N 15 120.72 0.03 A 112 ILE H H 1 7.48 0.01 A 112 ILE HA H 1 3.55 0.02 A 112 ILE HB H 1 1.93 0.03 A 112 ILE HD1% H 1 0.93 0.03 A 112 ILE HG12 H 1 1.26 0.05 A 112 ILE HG13 H 1 1.26 0.05 A 112 ILE HG2% H 1 0.95 0.03 A 112 ILE CA C 13 65.64 0.1 A 112 ILE CB C 13 37.57 0.12 A 112 ILE CD1 C 13 14.17 0.05 A 112 ILE CG1 C 13 29.83 0.13 A 112 ILE CG2 C 13 14.06 0.13 A 112 ILE N N 15 116.54 0.02 A 113 SER H H 1 8.28 0.02 A 113 SER HA H 1 3.98 0.03 A 113 SER HB2 H 1 3.97 0.01 A 113 SER HB3 H 1 3.97 0.01 A 113 SER CA C 13 62.45 0.09 A 113 SER CB C 13 62.71 0 A 113 SER N N 15 115.79 0.04 A 114 GLU H H 1 8.33 0.01 A 114 GLU HA H 1 3.98 0.03 A 114 GLU CA C 13 59.56 0.07 A 114 GLU CB C 13 29.19 0.08 A 114 GLU CG C 13 36.51 0 A 114 GLU N N 15 122.58 0.03 A 115 ILE H H 1 7.81 0.03 A 115 ILE HA H 1 3.61 0.02 A 115 ILE HB H 1 1.78 0.04 A 115 ILE HD1% H 1 0.55 0.02 A 115 ILE HG12 H 1 1.73 0 A 115 ILE HG13 H 1 1.73 0 A 115 ILE HG2% H 1 0.79 0.03 A 115 ILE CA C 13 65.06 0.11 A 115 ILE CB C 13 36.51 0.13 A 115 ILE CD1 C 13 13.19 0.12 A 115 ILE CG1 C 13 30.28 0.13 A 115 ILE CG2 C 13 17.6 0.09 A 115 ILE N N 15 120.01 0.05 A 116 ARG H H 1 8.35 0.02 A 116 ARG HA H 1 3.73 0.02 A 116 ARG HBy H 1 1.88 0.04 A 116 ARG HBx H 1 1.87 0.04 A 116 ARG HD2 H 1 3.14 0.03 A 116 ARG HD3 H 1 3.14 0.03 A 116 ARG HG2 H 1 1.33 0 A 116 ARG HG3 H 1 1.33 0 A 116 ARG CA C 13 61.19 0.11 A 116 ARG CB C 13 30.27 0.11 A 116 ARG CD C 13 43.5 0.09 A 116 ARG CG C 13 27.18 0.06 A 116 ARG N N 15 119.62 0.08 A 117 SER H H 1 7.98 0.01 A 117 SER HA H 1 4.14 0.03 A 117 SER HBx H 1 3.94 0.04 A 117 SER HBy H 1 3.95 0.03 A 117 SER CA C 13 61.72 0.08 A 117 SER CB C 13 62.69 0.12 A 117 SER N N 15 115.2 0.04 A 118 LEU H H 1 8.17 0.01 A 118 LEU HA H 1 3.84 0.03 A 118 LEU HBx H 1 1.71 0.04 A 118 LEU HBy H 1 1.72 0.05 A 118 LEU HDx% H 1 0.7 0.04 A 118 LEU HDy% H 1 0.71 0.03 A 118 LEU HG H 1 1.62 0.03 A 118 LEU CA C 13 58.05 0.11 A 118 LEU CB C 13 42.47 0.04 A 118 LEU CDx C 13 25.72 0.07 A 118 LEU CDy C 13 25.74 0.11 A 118 LEU CG C 13 25.73 0.07 A 118 LEU N N 15 123.53 0.13 A 119 ILE H H 1 8.38 0.02 A 119 ILE HA H 1 3.51 0.03 A 119 ILE HB H 1 1.84 0.03 A 119 ILE HD1% H 1 0.79 0.03 A 119 ILE HG12 H 1 1.38 0.01 A 119 ILE HG13 H 1 1.38 0.01 A 119 ILE HG2% H 1 0.81 0.04 A 119 ILE CA C 13 66.64 0.11 A 119 ILE CB C 13 38.01 0.15 A 119 ILE CD1 C 13 15.22 0.05 A 119 ILE CG1 C 13 30.12 0 A 119 ILE CG2 C 13 17.47 0.07 A 119 ILE N N 15 119.1 0.05 A 120 GLY H H 1 8.17 0 A 120 GLY HAy H 1 3.86 0.02 A 120 GLY HAx H 1 3.75 0.03 A 120 GLY CA C 13 47.38 0.07 A 120 GLY N N 15 103.74 0.01 A 121 MET H H 1 7.69 0.05 A 121 MET HA H 1 4.07 0.03 A 121 MET HB2 H 1 1.94 0.04 A 121 MET HB3 H 1 1.94 0.05 A 121 MET HGx H 1 2.27 0.03 A 121 MET HGy H 1 2.48 0.04 A 121 MET CA C 13 58.73 0.07 A 121 MET CB C 13 32.99 0.25 A 121 MET CG C 13 32 0.05 A 121 MET N N 15 120.94 0.12 A 122 PHE H H 1 8.47 0.02 A 122 PHE HA H 1 4.39 0.02 A 122 PHE HBx H 1 2.86 0.04 A 122 PHE HBy H 1 3.14 0.03 A 122 PHE HD1 H 1 7.23 0.01 A 122 PHE HD2 H 1 7.23 0.01 A 122 PHE HE1 H 1 7 0.01 A 122 PHE HE2 H 1 7 0.01 A 122 PHE HZ H 1 7.11 0.01 A 122 PHE CA C 13 59.72 0.12 A 122 PHE CB C 13 38.26 0.08 A 122 PHE CD1 C 13 131.33 0.08 A 122 PHE CD2 C 13 131.33 0.08 A 122 PHE CE1 C 13 130.85 0.04 A 122 PHE CE2 C 13 130.85 0.04 A 122 PHE CZ C 13 129.38 0.05 A 122 PHE N N 15 119.5 0.19 A 123 ALA H H 1 8.36 0.01 A 123 ALA HA H 1 4.2 0.02 A 123 ALA HB% H 1 1.49 0.03 A 123 ALA CA C 13 54.34 0.09 A 123 ALA CB C 13 19.14 0.05 A 123 ALA N N 15 122.25 0.03 A 124 GLN H H 1 7.72 0.02 A 124 GLN HA H 1 4.15 0.02 A 124 GLN HBx H 1 2.07 0.04 A 124 GLN HBy H 1 2.08 0.04 A 124 GLN HE2y H 1 7.38 0.00 A 124 GLN HE2x H 1 6.78 0.00 A 124 GLN HGy H 1 2.42 0.03 A 124 GLN HGx H 1 2.37 0.02 A 124 GLN CA C 13 57.17 0.06 A 124 GLN CB C 13 29.04 0.08 A 124 GLN CG C 13 34 0.13 A 124 GLN N N 15 117.12 0.04 A 125 ALA H H 1 7.89 0.03 A 125 ALA HA H 1 4.21 0.03 A 125 ALA HB% H 1 1.41 0.03 A 125 ALA CA C 13 53.65 0.06 A 125 ALA CB C 13 18.96 0.08 A 125 ALA N N 15 122.81 0.1 A 126 SER H H 1 7.98 0.01 A 126 SER HA H 1 4.36 0.02 A 126 SER HBx H 1 3.81 0.05 A 126 SER HBy H 1 3.88 0.02 A 126 SER CA C 13 59.09 0.07 A 126 SER CB C 13 63.85 0.08 A 126 SER N N 15 113.75 0.17 A 127 ALA H H 1 7.96 0.01 A 127 ALA HA H 1 4.24 0.04 A 127 ALA HB% H 1 1.39 0.03 A 127 ALA CA C 13 53.17 0.04 A 127 ALA CB C 13 19.01 0.02 A 127 ALA N N 15 124.96 0.03 A 128 ASN H H 1 8.1 0.01 A 128 ASN HA H 1 4.63 0.03 A 128 ASN HBx H 1 2.68 0.03 A 128 ASN HBy H 1 2.78 0.03 A 128 ASN CA C 13 53.55 0.05 A 128 ASN CB C 13 39.18 0.06 A 128 ASN N N 15 116.91 0.06 A 129 ASP H H 1 8.11 0.01 A 129 ASP HA H 1 4.53 0.02 A 129 ASP HB2 H 1 2.61 0.03 A 129 ASP HB3 H 1 2.61 0.03 A 129 ASP CA C 13 54.7 0.09 A 129 ASP CB C 13 41.15 0.08 A 129 ASP N N 15 120.68 0.07 A 130 VAL H H 1 7.86 0.01 A 130 VAL HA H 1 3.87 0.02 A 130 VAL HB H 1 1.89 0.02 A 130 VAL HG1% H 1 0.69 0.03 A 130 VAL HG2% H 1 0.69 0.03 A 130 VAL CA C 13 63.17 0.07 A 130 VAL CB C 13 32.41 0.04 A 130 VAL CG1 C 13 20.6 0.22 A 130 VAL CG2 C 13 20.6 0.22 A 130 VAL N N 15 119.67 0.04 A 131 TYR H H 1 8.04 0.01 A 131 TYR HA H 1 4.47 0.02 A 131 TYR HBx H 1 2.84 0.03 A 131 TYR HBy H 1 3.04 0.03 A 131 TYR HD1 H 1 7.03 0.01 A 131 TYR HD2 H 1 7.03 0.01 A 131 TYR HE1 H 1 6.71 0.01 A 131 TYR HE2 H 1 6.71 0.01 A 131 TYR CA C 13 58.09 0.03 A 131 TYR CB C 13 38.45 0.08 A 131 TYR CD1 C 13 133.09 0.08 A 131 TYR CD2 C 13 133.09 0.08 A 131 TYR CE1 C 13 118.28 0.06 A 131 TYR CE2 C 13 118.28 0.06 A 131 TYR N N 15 122.03 0.04 A 132 ALA H H 1 7.92 0.03 A 132 ALA HA H 1 4.22 0.02 A 132 ALA HB% H 1 1.35 0.03 A 132 ALA CA C 13 52.84 0.07 A 132 ALA CB C 13 19.24 0.08 A 132 ALA N N 15 124.84 0.02 A 133 SER H H 1 8.1 0.01 A 133 SER HA H 1 4.34 0.03 A 133 SER HB2 H 1 3.82 0.05 A 133 SER HB3 H 1 3.82 0.05 A 133 SER CA C 13 58.41 0.03 A 133 SER CB C 13 64.04 0.12 A 133 SER N N 15 114.78 0.00 A 134 ALA H H 1 8.23 0.00 A 134 ALA CA C 13 52.87 0.00 A 134 ALA CB C 13 19.32 0.00 A 134 ALA N N 15 125.93 0.00 A 135 GLY H H 1 8.23 0.00 A 135 GLY CA C 13 45.43 0.00 A 135 GLY N N 15 108.14 0.00 A 136 SER H H 1 8.14 0.00 A 136 SER CA C 13 58.38 0.00 A 136 SER CB C 13 64.19 0.00 A 136 SER N N 15 115.69 0.00 A 137 GLY H H 1 8.04 0.00 A 137 GLY CA C 13 46.32 0.00 A 137 GLY N N 15 117.04 0.00 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 5 ALA HB% A 4 GLN HBx 1.0 0.0 5.5 2 2 A 5 ALA HB% A 4 GLN HBy 1.0 0.0 5.5 3 3 A 5 ALA HB% A 11 SER HA 1.0 0.0 5.5 4 4 A 5 ALA HB% A 12 LYS H 1.0 0.0 5.5 5 5 A 7 THR HA A 104 THR HB 1.0 0.0 5.5 6 6 A 7 THR HB A 9 TRP HH2 1.0 0.0 5.5 7 7 A 7 THR HB A 9 TRP HZ3 1.0 0.0 5.5 8 8 A 7 THR HG2% A 9 TRP HE3 1.0 0.0 4.5 9 9 A 9 TRP HH2 A 7 THR HG2% 1.0 0.0 4.5 10 10 A 7 THR HG2% A 9 TRP H 1.0 0.0 4.5 11 11 A 7 THR HG2% A 10 SER H 1.0 0.0 3.5 12 12 A 7 THR H A 14 ASN HBx 1.0 0.0 5.5 13 13 A 5 ALA HB% A 8 PRO HA 1.0 0.0 5.5 14 14 A 10 SER H A 8 PRO HA 1.0 0.0 4.5 15 15 A 8 PRO HBx A 9 TRP HA 1.0 0.0 5.5 16 16 A 9 TRP HE3 A 8 PRO HBx 1.0 0.0 5.5 17 17 A 10 SER H A 8 PRO HBx 1.0 0.0 5.5 18 18 A 8 PRO HA A 9 TRP HA 1.0 0.0 5.5 19 19 A 10 SER H A 9 TRP HA 1.0 0.0 5.5 20 20 A 9 TRP HA A 67 ASP HBy 1.0 0.0 5.5 21 20 A 9 TRP HA A 67 ASP HBx 1.0 0.0 5.5 22 21 A 10 SER H A 9 TRP HD1 1.0 0.0 5.5 23 22 A 7 THR HB A 9 TRP H 1.0 0.0 5.5 24 23 A 9 TRP HD1 A 10 SER HA 1.0 0.0 5.0 25 24 A 9 TRP HD1 A 67 ASP HA 1.0 0.0 5.5 26 25 A 9 TRP HD1 A 67 ASP HBy 1.0 0.0 4.5 27 25 A 67 ASP HBx A 9 TRP HD1 1.0 0.0 4.5 28 26 A 9 TRP HE3 A 67 ASP HBy 1.0 0.0 5.0 29 26 A 9 TRP HE3 A 67 ASP HBx 1.0 0.0 5.0 30 27 A 9 TRP HH2 A 107 VAL HG1% 1.0 0.0 5.0 31 28 A 9 TRP HH2 A 110 ARG HB2 1.0 0.0 5.0 32 28 A 9 TRP HH2 A 110 ARG HB3 1.0 0.0 5.0 33 29 A 11 SER H A 10 SER HBx 1.0 0.0 4.5 34 29 A 10 SER HBy A 11 SER H 1.0 0.0 4.5 35 30 A 5 ALA HB% A 10 SER HBx 1.0 0.0 5.5 36 31 A 7 THR H A 10 SER HBx 1.0 0.0 5.5 37 32 A 11 SER HA A 10 SER HBx 1.0 0.0 5.5 38 33 A 10 SER HBx A 63 LEU HD1% 1.0 0.0 4.5 39 34 A 11 SER HA A 13 ALA H 1.0 0.0 5.5 40 35 A 10 SER H A 11 SER H 1.0 0.0 3.5 41 36 A 12 LYS H A 11 SER H 1.0 0.0 5.5 42 37 A 11 SER H A 13 ALA H 1.0 0.0 5.5 43 38 A 11 SER H A 14 ASN H 1.0 0.0 5.5 44 39 A 11 SER H A 15 ALA H 1.0 0.0 5.5 45 40 A 11 SER H A 58 ILE HG2% 1.0 0.0 5.5 46 41 A 12 LYS HA A 11 SER HB2 1.0 0.0 5.5 47 42 A 14 ASN H A 12 LYS HA 1.0 0.0 5.5 48 43 A 15 ALA H A 12 LYS HA 1.0 0.0 4.5 49 44 A 12 LYS HA A 16 ASP H 1.0 0.0 4.5 50 45 A 11 SER HA A 12 LYS HBy 1.0 0.0 5.5 51 46 A 14 ASN H A 12 LYS HBy 1.0 0.0 5.5 52 47 A 15 ALA H A 12 LYS HBx 1.0 0.0 5.5 53 48 A 12 LYS HDy A 12 LYS HDx 1.0 0.0 2.7 54 49 A 12 LYS HDx A 54 MET HGy 1.0 0.0 5.5 55 50 A 52 ASP HA A 12 LYS HDy 1.0 0.0 5.5 56 51 A 12 LYS HDy A 54 MET HGx 1.0 0.0 5.5 57 52 A 13 ALA H A 12 LYS HA 1.0 0.0 5.0 58 53 A 13 ALA HA A 12 LYS HEx 1.0 0.0 5.0 59 53 A 12 LYS HEy A 13 ALA HA 1.0 0.0 5.0 60 54 A 14 ASN H A 13 ALA HA 1.0 0.0 5.5 61 55 A 16 ASP H A 13 ALA HA 1.0 0.0 4.5 62 56 A 14 ASN H A 13 ALA HB% 1.0 0.0 4.5 63 57 A 16 ASP H A 13 ALA HB% 1.0 0.0 5.5 64 58 A 13 ALA H A 14 ASN H 1.0 0.0 4.5 65 59 A 13 ALA HB% A 14 ASN HA 1.0 0.0 5.5 66 60 A 13 ALA H A 14 ASN HA 1.0 0.0 5.5 67 61 A 15 ALA H A 14 ASN HA 1.0 0.0 4.5 68 62 A 14 ASN HA A 17 ALA H 1.0 0.0 4.5 69 63 A 15 ALA H A 14 ASN HBy 1.0 0.0 5.5 70 64 A 104 THR HG2% A 14 ASN HBy 1.0 0.0 5.5 71 65 A 11 SER H A 14 ASN HBx 1.0 0.0 4.5 72 66 A 13 ALA H A 14 ASN HBx 1.0 0.0 5.5 73 67 A 104 THR HG2% A 14 ASN HBx 1.0 0.0 5.5 74 68 A 16 ASP H A 15 ALA HA 1.0 0.0 3.5 75 69 A 11 SER H A 15 ALA HB% 1.0 0.0 5.5 76 70 A 12 LYS HA A 15 ALA HB% 1.0 0.0 4.5 77 71 A 13 ALA H A 15 ALA HB% 1.0 0.0 5.5 78 72 A 14 ASN H A 15 ALA HB% 1.0 0.0 5.5 79 73 A 16 ASP H A 15 ALA HB% 1.0 0.0 3.5 80 74 A 15 ALA HB% A 18 PHE HD% 1.0 0.0 5.5 81 75 A 15 ALA HB% A 18 PHE H 1.0 0.0 5.5 82 76 A 13 ALA H A 15 ALA H 1.0 0.0 5.5 83 77 A 14 ASN H A 15 ALA H 1.0 0.0 4.5 84 78 A 17 ALA H A 16 ASP HA 1.0 0.0 4.5 85 79 A 16 ASP HA A 19 ILE HB 1.0 0.0 5.5 86 80 A 16 ASP HA A 19 ILE H 1.0 0.0 5.5 87 81 A 14 ASN H A 16 ASP H 1.0 0.0 4.5 88 82 A 16 ASP HA A 17 ALA HA 1.0 0.0 5.5 89 83 A 18 PHE H A 17 ALA HA 1.0 0.0 5.5 90 84 A 17 ALA HA A 20 ASN HBx 1.0 0.0 3.5 91 85 A 17 ALA HA A 20 ASN HD2y 1.0 0.0 5.5 92 86 A 17 ALA HA A 20 ASN HD2x 1.0 0.0 5.5 93 87 A 17 ALA HA A 20 ASN H 1.0 0.0 5.5 94 88 A 17 ALA HA A 21 SER H 1.0 0.0 4.5 95 89 A 17 ALA HA A 103 THR HG2% 1.0 0.0 5.5 96 90 A 16 ASP HA A 17 ALA HB% 1.0 0.0 5.5 97 91 A 16 ASP H A 17 ALA HB% 1.0 0.0 5.5 98 92 A 18 PHE HD% A 17 ALA HB% 1.0 0.0 5.5 99 93 A 18 PHE H A 17 ALA HB% 1.0 0.0 4.5 100 94 A 19 ILE H A 17 ALA HB% 1.0 0.0 5.5 101 95 A 17 ALA HB% A 20 ASN HBy 1.0 0.0 5.5 102 96 A 17 ALA HB% A 103 THR HB 1.0 0.0 5.5 103 97 A 103 THR HG2% A 17 ALA HB% 1.0 0.0 2.7 104 98 A 16 ASP H A 17 ALA H 1.0 0.0 3.5 105 99 A 17 ALA H A 19 ILE H 1.0 0.0 5.5 106 100 A 17 ALA H A 20 ASN HD2y 1.0 0.0 5.5 107 101 A 18 PHE HA A 18 PHE HBy 1.0 0.0 5.5 108 102 A 19 ILE H A 18 PHE HA 1.0 0.0 5.5 109 103 A 18 PHE HA A 22 PHE H 1.0 0.0 5.5 110 104 A 18 PHE HA A 99 ALA HA 1.0 0.0 5.5 111 105 A 18 PHE HA A 99 ALA HB% 1.0 0.0 5.5 112 106 A 103 THR HB A 18 PHE HA 1.0 0.0 5.5 113 107 A 17 ALA H A 18 PHE HBx 1.0 0.0 5.5 114 108 A 19 ILE H A 18 PHE HBx 1.0 0.0 5.5 115 109 A 99 ALA HB% A 18 PHE HBx 1.0 0.0 5.5 116 110 A 18 PHE HD% A 19 ILE HA 1.0 0.0 5.5 117 111 A 18 PHE HD% A 19 ILE HB 1.0 0.0 5.5 118 112 A 18 PHE HD% A 19 ILE H 1.0 0.0 5.5 119 113 A 18 PHE HD% A 21 SER HBx 1.0 0.0 5.5 120 114 A 18 PHE HD% A 100 PHE HA 1.0 0.0 4.5 121 115 A 18 PHE HD% A 100 PHE HD% 1.0 0.0 5.5 122 116 A 18 PHE HD% A 103 THR HB 1.0 0.0 5.5 123 117 A 18 PHE HE% A 70 PHE HZ 1.0 0.0 5.5 124 118 A 18 PHE HE% A 100 PHE HBy 1.0 0.0 5.5 125 119 A 18 PHE HE% A 100 PHE H 1.0 0.0 5.5 126 120 A 18 PHE HE% A 112 ILE HD1% 1.0 0.0 5.5 127 121 A 14 ASN HA A 18 PHE H 1.0 0.0 5.5 128 122 A 16 ASP H A 18 PHE H 1.0 0.0 5.5 129 123 A 17 ALA H A 18 PHE H 1.0 0.0 4.5 130 124 A 18 PHE H A 19 ILE HA 1.0 0.0 5.5 131 125 A 18 PHE H A 19 ILE HB 1.0 0.0 5.5 132 126 A 18 PHE H A 19 ILE H 1.0 0.0 4.5 133 127 A 100 PHE HA A 18 PHE HZ 1.0 0.0 5.5 134 128 A 100 PHE HD% A 18 PHE HZ 1.0 0.0 5.5 135 129 A 18 PHE HZ A 100 PHE HZ 1.0 0.0 5.5 136 130 A 18 PHE HZ A 112 ILE HD1% 1.0 0.0 5.5 137 131 A 100 PHE HD% A 18 PHE HZ 1.0 0.0 5.0 138 132 A 18 PHE HD% A 103 THR HG1 1.0 0.0 4.5 139 133 A 19 ILE HB A 20 ASN H 1.0 0.0 4.5 140 134 A 18 PHE H A 19 ILE HD1% 1.0 0.0 5.5 141 135 A 19 ILE HG2% A 20 ASN HA 1.0 0.0 4.5 142 136 A 20 ASN H A 19 ILE HG2% 1.0 0.0 4.5 143 137 A 22 PHE H A 19 ILE HG2% 1.0 0.0 5.5 144 138 A 19 ILE HG2% A 23 ILE H 1.0 0.0 5.5 145 139 A 19 ILE HG2% A 44 GLY HAx 1.0 0.0 3.5 146 140 A 19 ILE HG2% A 44 GLY HAy 1.0 0.0 2.7 147 141 A 19 ILE HG2% A 45 ASN HA 1.0 0.0 5.5 148 142 A 19 ILE HG2% A 48 MET H 1.0 0.0 4.5 149 143 A 19 ILE HG2% A 70 PHE HD% 1.0 0.0 3.5 150 144 A 19 ILE HG2% A 70 PHE HE% 1.0 0.0 3.5 151 145 A 70 PHE HZ A 19 ILE HG2% 1.0 0.0 5.5 152 146 A 19 ILE H A 20 ASN H 1.0 0.0 4.5 153 147 A 19 ILE H A 22 PHE H 1.0 0.0 5.5 154 148 A 19 ILE H A 20 ASN HA 1.0 0.0 5.5 155 149 A 21 SER H A 20 ASN HA 1.0 0.0 5.5 156 150 A 20 ASN HA A 23 ILE HB 1.0 0.0 5.5 157 151 A 20 ASN HA A 23 ILE H 1.0 0.0 5.5 158 152 A 20 ASN HA A 24 SER H 1.0 0.0 5.5 159 153 A 21 SER H A 20 ASN HBx 1.0 0.0 4.5 160 154 A 22 PHE H A 20 ASN HBx 1.0 0.0 5.5 161 155 A 21 SER H A 20 ASN HBy 1.0 0.0 4.5 162 156 A 22 PHE H A 20 ASN HBy 1.0 0.0 5.5 163 157 A 24 SER H A 20 ASN HBy 1.0 0.0 5.5 164 158 A 20 ASN H A 19 ILE HA 1.0 0.0 5.5 165 159 A 22 PHE H A 21 SER HA 1.0 0.0 5.5 166 160 A 23 ILE H A 21 SER HA 1.0 0.0 5.5 167 161 A 102 GLN HBx A 21 SER HBy 1.0 0.0 5.5 168 162 A 19 ILE H A 21 SER H 1.0 0.0 5.5 169 163 A 20 ASN H A 21 SER H 1.0 0.0 4.5 170 164 A 21 SER H A 22 PHE H 1.0 0.0 3.5 171 165 A 21 SER H A 23 ILE H 1.0 0.0 5.5 172 166 A 22 PHE HA A 23 ILE HA 1.0 0.0 5.5 173 167 A 23 ILE H A 22 PHE HA 1.0 0.0 5.5 174 168 A 22 PHE HA A 25 ALA H 1.0 0.0 5.5 175 169 A 99 ALA HB% A 22 PHE HA 1.0 0.0 4.5 176 170 A 21 SER H A 22 PHE HBx 1.0 0.0 5.5 177 171 A 99 ALA H A 22 PHE HBx 1.0 0.0 5.5 178 172 A 23 ILE H A 22 PHE HBy 1.0 0.0 5.5 179 173 A 19 ILE HA A 22 PHE HD% 1.0 0.0 5.5 180 174 A 23 ILE HA A 22 PHE HD% 1.0 0.0 5.5 181 175 A 23 ILE H A 22 PHE HD% 1.0 0.0 5.5 182 176 A 24 SER H A 22 PHE HD% 1.0 0.0 5.5 183 177 A 22 PHE HD% A 26 ALA H 1.0 0.0 5.5 184 178 A 70 PHE HZ A 22 PHE HD% 1.0 0.0 5.5 185 179 A 22 PHE HD% A 74 VAL HGx% 1.0 0.0 5.5 186 180 A 22 PHE HD% A 95 ALA HA 1.0 0.0 5.5 187 181 A 22 PHE HD% A 95 ALA HB% 1.0 0.0 4.5 188 182 A 22 PHE HD% A 96 LEU HA 1.0 0.0 4.5 189 183 A 99 ALA H A 22 PHE HD% 1.0 0.0 5.5 190 184 A 23 ILE HA A 22 PHE HE% 1.0 0.0 5.5 191 185 A 22 PHE HE% A 32 PHE HZ 1.0 0.0 4.5 192 186 A 70 PHE HZ A 22 PHE HE% 1.0 0.0 5.5 193 187 A 22 PHE HE% A 92 ILE HA 1.0 0.0 5.5 194 188 A 22 PHE H A 19 ILE HA 1.0 0.0 5.5 195 189 A 20 ASN H A 22 PHE H 1.0 0.0 5.5 196 190 A 22 PHE H A 21 SER HBx 1.0 0.0 5.5 197 191 A 22 PHE H A 21 SER HBy 1.0 0.0 5.5 198 192 A 22 PHE H A 23 ILE H 1.0 0.0 4.5 199 193 A 22 PHE H A 99 ALA HB% 1.0 0.0 5.5 200 194 A 22 PHE H A 23 ILE HB 1.0 0.0 5.5 201 195 A 23 ILE HB A 24 SER HA 1.0 0.0 5.5 202 196 A 23 ILE HB A 26 ALA H 1.0 0.0 5.5 203 197 A 19 ILE HA A 23 ILE H 1.0 0.0 5.5 204 198 A 23 ILE H A 21 SER HBx 1.0 0.0 5.5 205 199 A 25 ALA H A 24 SER HA 1.0 0.0 5.5 206 200 A 24 SER HA A 27 SER H 1.0 0.0 5.5 207 201 A 24 SER H A 21 SER HA 1.0 0.0 4.5 208 202 A 24 SER H A 22 PHE HA 1.0 0.0 5.5 209 203 A 22 PHE H A 24 SER H 1.0 0.0 5.5 210 204 A 24 SER H A 23 ILE HA 1.0 0.0 4.5 211 205 A 23 ILE H A 24 SER H 1.0 0.0 4.5 212 206 A 24 SER H A 25 ALA H 1.0 0.0 3.5 213 207 A 25 ALA HB% A 28 ASN H 1.0 0.0 5.5 214 208 A 25 ALA H A 27 SER H 1.0 0.0 5.5 215 209 A 22 PHE HA A 25 ALA H 1.0 0.0 4.5 216 210 A 25 ALA H A 22 PHE HD% 1.0 0.0 5.5 217 211 A 22 PHE HA A 26 ALA H 1.0 0.0 5.5 218 212 A 23 ILE HA A 26 ALA H 1.0 0.0 5.5 219 213 A 23 ILE H A 26 ALA H 1.0 0.0 5.5 220 214 A 24 SER H A 26 ALA H 1.0 0.0 5.5 221 215 A 25 ALA H A 26 ALA H 1.0 0.0 3.5 222 216 A 26 ALA H A 27 SER H 1.0 0.0 4.5 223 217 A 26 ALA H A 28 ASN H 1.0 0.0 5.5 224 218 A 26 ALA HA A 29 THR H 1.0 0.0 3.5 225 219 A 26 ALA HA A 95 ALA H 1.0 0.0 5.0 226 220 A 26 ALA HA A 29 THR HB 1.0 0.0 4.5 227 221 A 26 ALA HA A 94 ASP HBy 1.0 0.0 5.0 228 221 A 26 ALA HA A 94 ASP HBx 1.0 0.0 5.0 229 222 A 27 SER HA A 23 ILE HG2% 1.0 0.0 5.0 230 223 A 28 ASN H A 27 SER HA 1.0 0.0 3.5 231 224 A 27 SER HA A 37 MET HE% 1.0 0.0 5.0 232 225 A 37 MET HE% A 27 SER HB2 1.0 0.0 3.5 233 225 A 37 MET HE% A 27 SER HB3 1.0 0.0 3.5 234 226 A 27 SER HB3 A 32 PHE HB2 1.0 0.0 4.5 235 226 A 27 SER HB2 A 32 PHE HB2 1.0 0.0 4.5 236 226 A 32 PHE HB3 A 27 SER HB2 1.0 0.0 4.5 237 226 A 27 SER HB3 A 32 PHE HB3 1.0 0.0 4.5 238 227 A 27 SER HB3 A 32 PHE HB2 1.0 0.0 4.5 239 227 A 27 SER HB2 A 32 PHE HB2 1.0 0.0 4.5 240 227 A 32 PHE HB3 A 27 SER HB2 1.0 0.0 4.5 241 227 A 27 SER HB3 A 32 PHE HB3 1.0 0.0 4.5 242 228 A 27 SER H A 37 MET HE% 1.0 0.0 4.5 243 229 A 28 ASN HA A 30 GLY H 1.0 0.0 5.5 244 230 A 29 THR H A 28 ASN HBx 1.0 0.0 4.5 245 231 A 28 ASN H A 25 ALA HA 1.0 0.0 5.5 246 232 A 28 ASN H A 26 ALA HB% 1.0 0.0 5.5 247 233 A 28 ASN H A 27 SER HA 1.0 0.0 5.5 248 234 A 27 SER H A 28 ASN H 1.0 0.0 4.5 249 235 A 28 ASN H A 29 THR HB 1.0 0.0 5.5 250 236 A 28 ASN H A 29 THR H 1.0 0.0 3.5 251 237 A 30 GLY H A 29 THR HG2% 1.0 0.0 4.5 252 238 A 29 THR HG2% A 32 PHE HD% 1.0 0.0 5.5 253 239 A 29 THR HG2% A 32 PHE HE% 1.0 0.0 5.5 254 240 A 29 THR HG2% A 87 VAL HGy% 1.0 0.0 4.5 255 241 A 29 THR HG2% A 91 ALA H 1.0 0.0 5.5 256 242 A 29 THR HG2% A 92 ILE H 1.0 0.0 5.5 257 243 A 29 THR HG2% A 93 ALA HB% 1.0 0.0 5.5 258 244 A 29 THR HG2% A 94 ASP H 1.0 0.0 5.5 259 245 A 95 ALA H A 29 THR HG2% 1.0 0.0 5.5 260 246 A 29 THR H A 28 ASN HA 1.0 0.0 5.5 261 247 A 29 THR HA A 91 ALA HA 1.0 0.0 4.5 262 248 A 26 ALA HA A 29 THR H 1.0 0.0 4.5 263 249 A 30 GLY H A 31 SER H 1.0 0.0 3.5 264 250 A 30 GLY H A 32 PHE H 1.0 0.0 5.5 265 251 A 26 ALA HB% A 30 GLY HAx 1.0 0.0 5.5 266 251 A 26 ALA HB% A 30 GLY HAy 1.0 0.0 5.5 267 252 A 30 GLY HAx A 32 PHE HB2 1.0 0.0 5.5 268 252 A 30 GLY HAy A 32 PHE HB2 1.0 0.0 5.5 269 252 A 32 PHE HB3 A 30 GLY HAx 1.0 0.0 5.5 270 252 A 32 PHE HB3 A 30 GLY HAy 1.0 0.0 5.5 271 253 A 30 GLY HAx A 87 VAL HGx% 1.0 0.0 4.5 272 253 A 30 GLY HAy A 87 VAL HGx% 1.0 0.0 4.5 273 253 A 87 VAL HGy% A 30 GLY HAx 1.0 0.0 4.5 274 253 A 30 GLY HAy A 87 VAL HGy% 1.0 0.0 4.5 275 254 A 30 GLY H A 29 THR HA 1.0 0.0 4.5 276 255 A 30 GLY H A 32 PHE H 1.0 0.0 5.5 277 256 A 32 PHE H A 31 SER HA 1.0 0.0 4.5 278 257 A 31 SER H A 30 GLY HAy 1.0 0.0 5.5 279 258 A 31 SER H A 32 PHE H 1.0 0.0 2.7 280 259 A 29 THR HB A 31 SER H 1.0 0.0 5.5 281 260 A 29 THR H A 31 SER H 1.0 0.0 5.5 282 261 A 31 SER H A 88 THR HA 1.0 0.0 5.5 283 262 A 31 SER H A 32 PHE HA 1.0 0.0 5.5 284 263 A 32 PHE HA A 33 SER H 1.0 0.0 3.5 285 264 A 32 PHE HA A 37 MET HGx 1.0 0.0 5.5 286 264 A 32 PHE HA A 37 MET HGy 1.0 0.0 5.5 287 265 A 26 ALA HB% A 32 PHE HD% 1.0 0.0 4.5 288 266 A 27 SER HA A 32 PHE HD% 1.0 0.0 4.5 289 267 A 29 THR HB A 32 PHE HD% 1.0 0.0 5.5 290 268 A 30 GLY H A 32 PHE HD% 1.0 0.0 4.5 291 269 A 32 PHE HD% A 31 SER H 1.0 0.0 4.5 292 270 A 32 PHE HD% A 36 GLN H 1.0 0.0 5.5 293 271 A 32 PHE HD% A 37 MET HGy 1.0 0.0 5.5 294 272 A 32 PHE HD% A 77 ILE HG2% 1.0 0.0 4.5 295 273 A 32 PHE HD% A 78 ALA H 1.0 0.0 5.5 296 274 A 30 GLY H A 32 PHE HE% 1.0 0.0 5.5 297 275 A 32 PHE HE% A 31 SER H 1.0 0.0 5.5 298 276 A 32 PHE HE% A 91 ALA H 1.0 0.0 5.5 299 277 A 92 ILE HA A 32 PHE HE% 1.0 0.0 5.5 300 278 A 32 PHE HE% A 92 ILE H 1.0 0.0 5.5 301 279 A 32 PHE H A 31 SER HBx 1.0 0.0 5.5 302 280 A 32 PHE HD% A 36 GLN HBx 1.0 0.0 5.0 303 280 A 32 PHE HD% A 36 GLN HBy 1.0 0.0 5.0 304 281 A 37 MET HE% A 32 PHE HD% 1.0 0.0 4.5 305 282 A 32 PHE HD% A 37 MET HGx 1.0 0.0 4.5 306 282 A 32 PHE HD% A 37 MET HGy 1.0 0.0 4.5 307 283 A 32 PHE HD% A 81 GLN HB2 1.0 0.0 5.0 308 283 A 32 PHE HD% A 81 GLN HB3 1.0 0.0 5.0 309 284 A 32 PHE HD% A 81 GLN HG2 1.0 0.0 4.5 310 284 A 32 PHE HD% A 81 GLN HG3 1.0 0.0 4.5 311 285 A 27 SER HA A 32 PHE HE% 1.0 0.0 5.0 312 286 A 32 PHE H A 33 SER HA 1.0 0.0 5.5 313 287 A 33 SER HA A 34 GLN HA 1.0 0.0 5.5 314 288 A 33 SER HA A 34 GLN H 1.0 0.0 5.5 315 289 A 32 PHE HB3 A 33 SER H 1.0 0.0 5.5 316 290 A 32 PHE HD% A 33 SER H 1.0 0.0 4.5 317 291 A 32 PHE H A 33 SER H 1.0 0.0 5.5 318 292 A 33 SER H A 35 ASP H 1.0 0.0 5.5 319 293 A 33 SER H A 36 GLN H 1.0 0.0 5.5 320 294 A 33 SER H A 37 MET H 1.0 0.0 5.5 321 295 A 33 SER HA A 34 GLN HBx 1.0 0.0 5.5 322 295 A 33 SER HA A 34 GLN HBy 1.0 0.0 5.5 323 296 A 36 GLN H A 34 GLN HA 1.0 0.0 5.5 324 297 A 34 GLN HA A 37 MET HA 1.0 0.0 5.5 325 298 A 34 GLN HA A 37 MET H 1.0 0.0 3.5 326 299 A 35 ASP H A 34 GLN HBy 1.0 0.0 5.5 327 300 A 37 MET H A 34 GLN HBy 1.0 0.0 5.5 328 301 A 34 GLN HBy A 38 GLU H 1.0 0.0 5.5 329 302 A 34 GLN H A 33 SER HBy 1.0 0.0 5.5 330 303 A 34 GLN H A 35 ASP H 1.0 0.0 5.5 331 304 A 34 GLN H A 35 ASP HA 1.0 0.0 5.5 332 305 A 34 GLN HBy A 35 ASP HA 1.0 0.0 4.5 333 306 A 33 SER HA A 35 ASP H 1.0 0.0 4.5 334 307 A 35 ASP H A 34 GLN HBx 1.0 0.0 3.5 335 307 A 35 ASP H A 34 GLN HBy 1.0 0.0 3.5 336 308 A 35 ASP H A 34 GLN HG2 1.0 0.0 4.5 337 308 A 35 ASP H A 34 GLN HG3 1.0 0.0 4.5 338 309 A 38 GLU H A 36 GLN HA 1.0 0.0 5.5 339 310 A 36 GLN H A 33 SER HBy 1.0 0.0 5.5 340 311 A 36 GLN H A 35 ASP H 1.0 0.0 4.5 341 312 A 36 GLN H A 37 MET HA 1.0 0.0 5.5 342 313 A 36 GLN H A 38 GLU H 1.0 0.0 5.5 343 314 A 36 GLN H A 32 PHE HB2 1.0 0.0 5.0 344 314 A 32 PHE HB3 A 36 GLN H 1.0 0.0 5.0 345 315 A 36 GLN H A 33 SER HBy 1.0 0.0 4.5 346 315 A 36 GLN H A 33 SER HBx 1.0 0.0 4.5 347 316 A 33 SER HBy A 36 GLN HBx 1.0 0.0 4.5 348 316 A 33 SER HBx A 36 GLN HBx 1.0 0.0 4.5 349 316 A 36 GLN HBy A 33 SER HBy 1.0 0.0 4.5 350 316 A 36 GLN HBy A 33 SER HBx 1.0 0.0 4.5 351 317 A 35 ASP H A 36 GLN HBx 1.0 0.0 5.5 352 317 A 36 GLN HBy A 35 ASP H 1.0 0.0 5.5 353 318 A 37 MET HA A 36 GLN HBx 1.0 0.0 4.5 354 318 A 36 GLN HBy A 37 MET HA 1.0 0.0 4.5 355 319 A 36 GLN HBy A 37 MET HGx 1.0 0.0 4.5 356 319 A 36 GLN HBx A 37 MET HGx 1.0 0.0 4.5 357 319 A 37 MET HGy A 36 GLN HBx 1.0 0.0 4.5 358 319 A 37 MET HGy A 36 GLN HBy 1.0 0.0 4.5 359 320 A 77 ILE HG2% A 36 GLN HBx 1.0 0.0 3.5 360 320 A 77 ILE HG2% A 36 GLN HBy 1.0 0.0 3.5 361 321 A 78 ALA HA A 36 GLN HBx 1.0 0.0 5.5 362 321 A 36 GLN HBy A 78 ALA HA 1.0 0.0 5.5 363 322 A 37 MET HA A 40 MET H 1.0 0.0 5.5 364 323 A 37 MET HA A 41 SER H 1.0 0.0 5.5 365 324 A 32 PHE HD% A 37 MET H 1.0 0.0 5.5 366 325 A 37 MET H A 36 GLN HA 1.0 0.0 5.5 367 326 A 36 GLN H A 37 MET H 1.0 0.0 4.5 368 327 A 37 MET H A 38 GLU H 1.0 0.0 4.5 369 328 A 36 GLN H A 37 MET HA 1.0 0.0 5.5 370 329 A 38 GLU HA A 39 ASN H 1.0 0.0 5.5 371 330 A 39 ASN H A 38 GLU HGx 1.0 0.0 5.5 372 331 A 37 MET HA A 38 GLU H 1.0 0.0 4.5 373 332 A 37 MET HGy A 38 GLU H 1.0 0.0 5.5 374 333 A 38 GLU H A 39 ASN H 1.0 0.0 4.5 375 334 A 38 GLU HA A 39 ASN HA 1.0 0.0 5.5 376 335 A 39 ASN HA A 38 GLU HB2 1.0 0.0 5.5 377 336 A 36 GLN HBy A 39 ASN H 1.0 0.0 5.5 378 337 A 41 SER H A 40 MET HA 1.0 0.0 3.5 379 338 A 40 MET HA A 42 LEU H 1.0 0.0 4.5 380 339 A 40 MET HA A 77 ILE HD1% 1.0 0.0 5.5 381 340 A 40 MET H A 38 GLU HA 1.0 0.0 5.5 382 341 A 40 MET H A 39 ASN H 1.0 0.0 3.0 383 342 A 40 MET H A 39 ASN H 1.0 0.0 5.5 384 343 A 40 MET H A 41 SER H 1.0 0.0 4.5 385 344 A 41 SER H A 42 LEU H 1.0 0.0 4.5 386 345 A 42 LEU HA A 43 ILE HA 1.0 0.0 5.5 387 346 A 42 LEU H A 43 ILE HB 1.0 0.0 4.5 388 347 A 43 ILE HG21 A 70 PHE HA 1.0 0.0 4.5 389 348 A 43 ILE HG21 A 73 SER HBx 1.0 0.0 5.5 390 349 A 42 LEU H A 43 ILE H 1.0 0.0 5.5 391 350 A 43 ILE H A 44 GLY H 1.0 0.0 5.5 392 351 A 45 ASN HA A 44 GLY HAx 1.0 0.0 5.5 393 352 A 70 PHE HD% A 44 GLY HAx 1.0 0.0 5.5 394 353 A 70 PHE HE% A 44 GLY HAx 1.0 0.0 5.5 395 354 A 44 GLY H A 45 ASN H 1.0 0.0 5.5 396 355 A 45 ASN HA A 47 LEU H 1.0 0.0 4.5 397 356 A 45 ASN HA A 49 ALA H 1.0 0.0 5.5 398 357 A 45 ASN HA A 46 THR H 1.0 0.0 5.5 399 358 A 48 MET H A 46 THR H 1.0 0.0 5.5 400 359 A 48 MET H A 47 LEU H 1.0 0.0 5.5 401 360 A 48 MET H A 50 ALA H 1.0 0.0 5.5 402 361 A 51 MET H A 52 ASP H 1.0 0.0 5.5 403 362 A 52 ASP HA A 53 ASN H 1.0 0.0 3.5 404 363 A 54 MET HA A 53 ASN HA 1.0 0.0 5.5 405 364 A 54 MET HA A 55 GLY H 1.0 0.0 5.5 406 365 A 54 MET H A 50 ALA HA 1.0 0.0 5.5 407 366 A 54 MET HA A 55 GLY HAx 1.0 0.0 5.0 408 366 A 54 MET HA A 55 GLY HAy 1.0 0.0 5.0 409 367 A 54 MET HA A 55 GLY H 1.0 0.0 5.0 410 368 A 54 MET HA A 57 ARG HGx 1.0 0.0 5.5 411 368 A 54 MET HA A 57 ARG HGy 1.0 0.0 5.5 412 369 A 54 MET HBy A 57 ARG HBx 1.0 0.0 5.0 413 369 A 54 MET HBx A 57 ARG HBx 1.0 0.0 5.0 414 369 A 57 ARG HBy A 54 MET HBy 1.0 0.0 5.0 415 369 A 54 MET HBx A 57 ARG HBy 1.0 0.0 5.0 416 370 A 53 ASN HA A 54 MET H 1.0 0.0 3.5 417 371 A 54 MET H A 58 ILE HD1% 1.0 0.0 5.0 418 372 A 53 ASN HA A 55 GLY H 1.0 0.0 4.5 419 373 A 55 GLY H A 54 MET H 1.0 0.0 5.5 420 374 A 54 MET HA A 55 GLY HAx 1.0 0.0 5.0 421 374 A 54 MET HA A 55 GLY HAy 1.0 0.0 5.0 422 375 A 55 GLY HAy A 57 ARG HGx 1.0 0.0 5.0 423 375 A 55 GLY HAx A 57 ARG HGx 1.0 0.0 5.0 424 375 A 57 ARG HGy A 55 GLY HAx 1.0 0.0 5.0 425 375 A 55 GLY HAy A 57 ARG HGy 1.0 0.0 5.0 426 376 A 57 ARG H A 55 GLY HAx 1.0 0.0 4.5 427 376 A 55 GLY HAy A 57 ARG H 1.0 0.0 4.5 428 377 A 57 ARG H A 56 GLY HAx 1.0 0.0 5.5 429 378 A 57 ARG H A 56 GLY HAy 1.0 0.0 5.5 430 379 A 56 GLY HAx A 57 ARG HGx 1.0 0.0 5.0 431 379 A 56 GLY HAy A 57 ARG HGx 1.0 0.0 5.0 432 379 A 57 ARG HGy A 56 GLY HAx 1.0 0.0 5.0 433 379 A 57 ARG HGy A 56 GLY HAy 1.0 0.0 5.0 434 380 A 56 GLY HAy A 58 ILE HD1% 1.0 0.0 5.0 435 380 A 58 ILE HD1% A 56 GLY HAx 1.0 0.0 5.0 436 381 A 56 GLY HAy A 58 ILE HD1% 1.0 0.0 4.5 437 381 A 58 ILE HD1% A 56 GLY HAx 1.0 0.0 4.5 438 382 A 57 ARG HA A 58 ILE HA 1.0 0.0 5.5 439 383 A 58 ILE HG2% A 57 ARG HA 1.0 0.0 5.5 440 384 A 57 ARG HA A 58 ILE H 1.0 0.0 3.5 441 385 A 57 ARG HBy A 58 ILE HA 1.0 0.0 5.5 442 386 A 57 ARG HBy A 58 ILE H 1.0 0.0 5.5 443 387 A 57 ARG H A 58 ILE HD1% 1.0 0.0 5.5 444 388 A 57 ARG H A 56 GLY HAx 1.0 0.0 3.5 445 388 A 57 ARG H A 56 GLY HAy 1.0 0.0 3.5 446 389 A 57 ARG H A 58 ILE HA 1.0 0.0 5.5 447 390 A 58 ILE HA A 59 THR H 1.0 0.0 4.5 448 391 A 58 ILE HB A 12 LYS HG3 1.0 0.0 4.5 449 392 A 59 THR H A 58 ILE HB 1.0 0.0 4.5 450 393 A 52 ASP HA A 58 ILE HD1% 1.0 0.0 5.5 451 394 A 54 MET HA A 58 ILE HD1% 1.0 0.0 4.5 452 395 A 56 GLY HAy A 58 ILE HD1% 1.0 0.0 5.5 453 396 A 57 ARG HBy A 58 ILE HD1% 1.0 0.0 5.5 454 397 A 57 ARG HA A 58 ILE HG12 1.0 0.0 5.5 455 397 A 57 ARG HA A 58 ILE HG13 1.0 0.0 5.5 456 398 A 57 ARG HBy A 58 ILE HG13 1.0 0.0 5.5 457 398 A 57 ARG HBy A 58 ILE HG12 1.0 0.0 5.5 458 399 A 58 ILE HG2% A 63 LEU H 1.0 0.0 5.5 459 400 A 58 ILE HG2% A 64 GLN H 1.0 0.0 5.5 460 401 A 11 SER HA A 58 ILE HB 1.0 0.0 5.0 461 402 A 57 ARG HA A 58 ILE HB 1.0 0.0 5.0 462 403 A 58 ILE H A 12 LYS HDx 1.0 0.0 5.0 463 403 A 58 ILE H A 12 LYS HDy 1.0 0.0 5.0 464 404 A 58 ILE H A 59 THR HA 1.0 0.0 5.5 465 405 A 59 THR H A 62 LYS H 1.0 0.0 5.5 466 406 A 59 THR H A 63 LEU H 1.0 0.0 5.5 467 407 A 59 THR H A 57 ARG HGx 1.0 0.0 5.5 468 407 A 57 ARG HGy A 59 THR H 1.0 0.0 5.5 469 408 A 10 SER H A 63 LEU HBx 1.0 0.0 5.5 470 409 A 5 ALA HB% A 63 LEU HD1% 1.0 0.0 5.5 471 410 A 11 SER H A 63 LEU HD1% 1.0 0.0 4.5 472 411 A 12 LYS H A 63 LEU HD1% 1.0 0.0 5.5 473 412 A 13 ALA H A 63 LEU HD1% 1.0 0.0 5.5 474 413 A 59 THR HA A 63 LEU HD1% 1.0 0.0 4.5 475 414 A 63 LEU H A 62 LYS H 1.0 0.0 5.5 476 415 A 64 GLN HA A 65 ALA H 1.0 0.0 5.5 477 416 A 64 GLN H A 9 TRP HBy 1.0 0.0 5.5 478 417 A 64 GLN H A 65 ALA HB% 1.0 0.0 5.5 479 418 A 65 ALA H A 63 LEU HBy 1.0 0.0 5.5 480 419 A 64 GLN H A 65 ALA H 1.0 0.0 4.5 481 420 A 65 ALA H A 66 LEU H 1.0 0.0 4.5 482 421 A 63 LEU HA A 66 LEU HD1% 1.0 0.0 5.5 483 422 A 67 ASP HBx A 111 PHE HD% 1.0 0.0 5.5 484 423 A 63 LEU HA A 67 ASP H 1.0 0.0 4.5 485 424 A 67 ASP H A 63 LEU HD1% 1.0 0.0 5.5 486 425 A 64 GLN HA A 67 ASP H 1.0 0.0 4.5 487 426 A 65 ALA HB% A 67 ASP H 1.0 0.0 5.0 488 427 A 67 ASP H A 66 LEU HG 1.0 0.0 4.5 489 428 A 67 ASP H A 68 MET H 1.0 0.0 3.5 490 429 A 69 ALA HA A 70 PHE H 1.0 0.0 5.5 491 430 A 70 PHE HA A 69 ALA HB% 1.0 0.0 5.5 492 431 A 70 PHE H A 69 ALA HB% 1.0 0.0 4.5 493 432 A 68 MET H A 69 ALA H 1.0 0.0 5.5 494 433 A 70 PHE HA A 71 ALA H 1.0 0.0 5.5 495 434 A 71 ALA H A 70 PHE HBx 1.0 0.0 5.5 496 435 A 71 ALA H A 70 PHE HBy 1.0 0.0 5.5 497 436 A 72 SER H A 70 PHE HBy 1.0 0.0 5.5 498 437 A 18 PHE HD% A 70 PHE HD% 1.0 0.0 5.5 499 438 A 18 PHE HE% A 70 PHE HD% 1.0 0.0 5.5 500 439 A 19 ILE HA A 70 PHE HD% 1.0 0.0 4.5 501 440 A 67 ASP HA A 70 PHE HD% 1.0 0.0 5.5 502 441 A 70 PHE HZ A 70 PHE HD% 1.0 0.0 4.5 503 442 A 70 PHE HD% A 71 ALA H 1.0 0.0 5.5 504 443 A 70 PHE HD% A 72 SER H 1.0 0.0 5.5 505 444 A 70 PHE HD% A 73 SER HBy 1.0 0.0 5.5 506 445 A 70 PHE HD% A 74 VAL H 1.0 0.0 5.5 507 446 A 18 PHE HD% A 70 PHE HE% 1.0 0.0 5.5 508 447 A 18 PHE HE% A 70 PHE HE% 1.0 0.0 5.5 509 448 A 70 PHE HE% A 44 GLY H 1.0 0.0 5.5 510 449 A 70 PHE HZ A 70 PHE HE% 1.0 0.0 3.5 511 450 A 70 PHE HE% A 74 VAL H 1.0 0.0 5.5 512 451 A 68 MET H A 70 PHE H 1.0 0.0 5.5 513 452 A 70 PHE H A 69 ALA H 1.0 0.0 5.5 514 453 A 70 PHE HZ A 22 PHE HZ 1.0 0.0 5.5 515 454 A 70 PHE H A 66 LEU HD1% 1.0 0.0 5.5 516 455 A 67 ASP HA A 70 PHE H 1.0 0.0 4.5 517 456 A 70 PHE H A 68 MET HA 1.0 0.0 4.5 518 457 A 71 ALA HA A 70 PHE HBy 1.0 0.0 5.5 519 458 A 70 PHE HD% A 71 ALA HA 1.0 0.0 4.5 520 459 A 70 PHE HE% A 71 ALA HA 1.0 0.0 5.5 521 460 A 70 PHE H A 71 ALA HA 1.0 0.0 5.5 522 461 A 72 SER H A 71 ALA HA 1.0 0.0 5.5 523 462 A 71 ALA HA A 73 SER H 1.0 0.0 5.5 524 463 A 71 ALA HA A 74 VAL HB 1.0 0.0 5.5 525 464 A 74 VAL H A 71 ALA HA 1.0 0.0 5.5 526 465 A 71 ALA HA A 75 ALA H 1.0 0.0 5.5 527 466 A 71 ALA HA A 92 ILE HG2% 1.0 0.0 5.5 528 467 A 71 ALA HA A 115 ILE HD1% 1.0 0.0 4.5 529 468 A 70 PHE HD% A 71 ALA HB% 1.0 0.0 4.5 530 469 A 70 PHE H A 71 ALA HB% 1.0 0.0 5.5 531 470 A 72 SER H A 71 ALA HB% 1.0 0.0 4.5 532 471 A 73 SER H A 71 ALA HB% 1.0 0.0 5.5 533 472 A 111 PHE HD% A 71 ALA HB% 1.0 0.0 4.5 534 473 A 70 PHE H A 71 ALA H 1.0 0.0 5.5 535 474 A 72 SER HA A 122 PHE HZ 1.0 0.0 5.5 536 475 A 69 ALA HB% A 72 SER H 1.0 0.0 4.5 537 476 A 71 ALA H A 72 SER H 1.0 0.0 4.5 538 477 A 72 SER H A 73 SER H 1.0 0.0 4.5 539 478 A 72 SER H A 74 VAL H 1.0 0.0 5.5 540 479 A 43 ILE HG21 A 73 SER HA 1.0 0.0 5.5 541 480 A 74 VAL H A 73 SER HA 1.0 0.0 5.5 542 481 A 69 ALA HB% A 73 SER HBx 1.0 0.0 5.5 543 482 A 74 VAL HA A 73 SER HBx 1.0 0.0 5.5 544 483 A 69 ALA HA A 73 SER H 1.0 0.0 5.5 545 484 A 69 ALA HB% A 73 SER H 1.0 0.0 5.5 546 485 A 70 PHE HA A 73 SER H 1.0 0.0 5.5 547 486 A 73 SER H A 72 SER HA 1.0 0.0 5.5 548 487 A 73 SER H A 77 ILE HD1% 1.0 0.0 5.5 549 488 A 22 PHE HZ A 74 VAL HB 1.0 0.0 5.5 550 489 A 74 VAL HB A 75 ALA H 1.0 0.0 5.5 551 490 A 22 PHE HE% A 74 VAL HGx% 1.0 0.0 4.5 552 491 A 70 PHE HD% A 74 VAL HGx% 1.0 0.0 4.5 553 492 A 70 PHE HE% A 74 VAL HGx% 1.0 0.0 5.5 554 493 A 70 PHE HZ A 74 VAL HGx% 1.0 0.0 5.5 555 494 A 71 ALA HA A 74 VAL HGx% 1.0 0.0 5.5 556 495 A 73 SER H A 74 VAL HGx% 1.0 0.0 5.5 557 496 A 75 ALA HA A 74 VAL HGx% 1.0 0.0 5.5 558 497 A 75 ALA H A 74 VAL HGx% 1.0 0.0 5.5 559 498 A 78 ALA H A 74 VAL HGx% 1.0 0.0 5.5 560 499 A 92 ILE HD1% A 74 VAL HGx% 1.0 0.0 3.5 561 500 A 92 ILE HG2% A 74 VAL HGx% 1.0 0.0 3.5 562 501 A 70 PHE HA A 74 VAL H 1.0 0.0 4.5 563 502 A 74 VAL H A 73 SER H 1.0 0.0 4.5 564 503 A 74 VAL HB A 75 ALA HA 1.0 0.0 5.5 565 504 A 78 ALA H A 75 ALA HA 1.0 0.0 5.5 566 505 A 75 ALA HA A 122 PHE HE% 1.0 0.0 5.5 567 506 A 75 ALA HB% A 118 LEU HA 1.0 0.0 5.5 568 507 A 75 ALA HB% A 122 PHE HD% 1.0 0.0 3.5 569 508 A 122 PHE HE% A 75 ALA HB% 1.0 0.0 3.5 570 509 A 122 PHE HZ A 75 ALA HB% 1.0 0.0 5.5 571 510 A 75 ALA H A 74 VAL HA 1.0 0.0 5.5 572 511 A 74 VAL H A 75 ALA H 1.0 0.0 5.5 573 512 A 75 ALA H A 76 GLN H 1.0 0.0 4.5 574 513 A 78 ALA H A 75 ALA H 1.0 0.0 5.5 575 514 A 75 ALA H A 122 PHE HE% 1.0 0.0 5.5 576 515 A 78 ALA H A 77 ILE HB 1.0 0.0 5.5 577 516 A 42 LEU H A 77 ILE HD1% 1.0 0.0 4.5 578 517 A 43 ILE H A 77 ILE HD1% 1.0 0.0 5.5 579 518 A 77 ILE HG2% A 39 ASN HA 1.0 0.0 5.5 580 519 A 32 PHE HD% A 78 ALA HA 1.0 0.0 4.5 581 520 A 32 PHE HE% A 78 ALA HA 1.0 0.0 3.5 582 521 A 32 PHE HZ A 78 ALA HA 1.0 0.0 5.5 583 522 A 77 ILE HG2% A 78 ALA HA 1.0 0.0 5.5 584 523 A 78 ALA HA A 79 ALA HA 1.0 0.0 5.5 585 524 A 78 ALA HA A 79 ALA H 1.0 0.0 5.5 586 525 A 78 ALA HA A 92 ILE HD1% 1.0 0.0 5.5 587 526 A 32 PHE HD% A 78 ALA HB% 1.0 0.0 4.5 588 527 A 32 PHE HE% A 78 ALA HB% 1.0 0.0 3.5 589 528 A 32 PHE HZ A 78 ALA HB% 1.0 0.0 5.5 590 529 A 74 VAL HA A 78 ALA HB% 1.0 0.0 5.5 591 530 A 32 PHE HZ A 78 ALA H 1.0 0.0 5.5 592 531 A 78 ALA H A 74 VAL HA 1.0 0.0 5.5 593 532 A 77 ILE HG2% A 78 ALA H 1.0 0.0 5.5 594 533 A 78 ALA H A 79 ALA H 1.0 0.0 4.5 595 534 A 78 ALA H A 81 GLN H 1.0 0.0 5.0 596 535 A 78 ALA H A 77 ILE HA 1.0 0.0 3.5 597 536 A 78 ALA H A 77 ILE HB 1.0 0.0 2.7 598 537 A 78 ALA H A 77 ILE HD1% 1.0 0.0 4.5 599 538 A 78 ALA H A 77 ILE HG12 1.0 0.0 4.5 600 538 A 78 ALA H A 77 ILE HG13 1.0 0.0 4.5 601 539 A 78 ALA H A 79 ALA HA 1.0 0.0 5.5 602 540 A 79 ALA HA A 80 SER H 1.0 0.0 5.5 603 541 A 79 ALA HB% A 80 SER HA 1.0 0.0 5.5 604 542 A 80 SER H A 79 ALA HB% 1.0 0.0 4.5 605 543 A 79 ALA HB% A 119 ILE HA 1.0 0.0 5.5 606 544 A 79 ALA HB% A 122 PHE HBy 1.0 0.0 4.5 607 545 A 79 ALA HB% A 122 PHE HBx 1.0 0.0 4.5 608 546 A 32 PHE HZ A 79 ALA H 1.0 0.0 5.5 609 547 A 79 ALA H A 119 ILE HG2% 1.0 0.0 4.5 610 548 A 78 ALA H A 79 ALA H 1.0 0.0 3.0 611 549 A 79 ALA H A 85 LEU HD1% 1.0 0.0 4.5 612 550 A 78 ALA H A 80 SER H 1.0 0.0 5.5 613 551 A 79 ALA H A 80 SER H 1.0 0.0 3.5 614 552 A 77 ILE HA A 80 SER H 1.0 0.0 4.5 615 553 A 78 ALA HB% A 80 SER H 1.0 0.0 4.5 616 554 A 81 GLN H A 80 SER HA 1.0 0.0 3.5 617 555 A 83 GLY H A 82 GLY HAy 1.0 0.0 5.5 618 556 A 81 GLN HA A 82 GLY HAx 1.0 0.0 5.5 619 557 A 83 GLY H A 82 GLY HAx 1.0 0.0 4.5 620 558 A 80 SER HA A 82 GLY H 1.0 0.0 5.5 621 559 A 81 GLN H A 82 GLY H 1.0 0.0 5.5 622 560 A 83 GLY H A 82 GLY H 1.0 0.0 3.5 623 561 A 81 GLN HA A 82 GLY HAy 1.0 0.0 4.5 624 561 A 81 GLN HA A 82 GLY HAx 1.0 0.0 4.5 625 562 A 82 GLY HAy A 85 LEU HD1% 1.0 0.0 5.5 626 562 A 82 GLY HAx A 85 LEU HD1% 1.0 0.0 5.5 627 562 A 85 LEU HD2% A 82 GLY HAy 1.0 0.0 5.5 628 562 A 82 GLY HAx A 85 LEU HD2% 1.0 0.0 5.5 629 563 A 81 GLN HA A 82 GLY H 1.0 0.0 3.5 630 564 A 82 GLY H A 81 GLN HG2 1.0 0.0 4.5 631 564 A 81 GLN HG3 A 82 GLY H 1.0 0.0 4.5 632 565 A 82 GLY H A 85 LEU HD1% 1.0 0.0 5.5 633 565 A 82 GLY H A 85 LEU HD2% 1.0 0.0 5.5 634 566 A 82 GLY H A 83 GLY HAx 1.0 0.0 5.5 635 567 A 83 GLY HAy A 84 ASP HA 1.0 0.0 5.5 636 568 A 83 GLY HAy A 84 ASP H 1.0 0.0 3.5 637 569 A 83 GLY H A 84 ASP HA 1.0 0.0 5.5 638 570 A 84 ASP HA A 85 LEU H 1.0 0.0 3.5 639 571 A 84 ASP HA A 86 GLY H 1.0 0.0 4.5 640 572 A 85 LEU H A 84 ASP HBy 1.0 0.0 5.5 641 573 A 87 VAL HB A 84 ASP HBy 1.0 0.0 5.5 642 574 A 87 VAL H A 84 ASP HBy 1.0 0.0 5.5 643 575 A 83 GLY HAy A 84 ASP HBx 1.0 0.0 5.5 644 576 A 85 LEU H A 84 ASP HBx 1.0 0.0 5.5 645 577 A 87 VAL HB A 84 ASP HBx 1.0 0.0 5.5 646 578 A 87 VAL H A 84 ASP HBx 1.0 0.0 5.5 647 579 A 83 GLY H A 84 ASP H 1.0 0.0 5.5 648 580 A 84 ASP H A 85 LEU H 1.0 0.0 5.5 649 581 A 86 GLY H A 85 LEU HB3 1.0 0.0 5.5 650 582 A 120 GLY HAx A 85 LEU HD1% 1.0 0.0 4.5 651 583 A 120 GLY HAy A 85 LEU HD1% 1.0 0.0 4.5 652 584 A 123 ALA HA A 85 LEU HD1% 1.0 0.0 5.5 653 585 A 123 ALA HB% A 85 LEU HD1% 1.0 0.0 2.7 654 586 A 123 ALA H A 85 LEU HD1% 1.0 0.0 5.5 655 587 A 86 GLY HAy A 87 VAL HGx% 1.0 0.0 5.5 656 588 A 87 VAL H A 86 GLY HAy 1.0 0.0 4.5 657 589 A 86 GLY HAx A 87 VAL HGx% 1.0 0.0 5.5 658 590 A 87 VAL H A 86 GLY HAx 1.0 0.0 5.5 659 591 A 86 GLY H A 85 LEU HA 1.0 0.0 5.5 660 592 A 86 GLY H A 87 VAL HB 1.0 0.0 5.5 661 593 A 87 VAL HA A 88 THR H 1.0 0.0 5.5 662 594 A 87 VAL HA A 90 ASN H 1.0 0.0 4.5 663 595 A 87 VAL HA A 91 ALA HB% 1.0 0.0 5.5 664 596 A 91 ALA H A 87 VAL HA 1.0 0.0 4.5 665 597 A 84 ASP HA A 87 VAL HGx% 1.0 0.0 5.5 666 598 A 84 ASP HBy A 87 VAL HGx% 1.0 0.0 5.5 667 599 A 84 ASP HBx A 87 VAL HGx% 1.0 0.0 4.5 668 600 A 86 GLY H A 87 VAL HGx% 1.0 0.0 5.5 669 601 A 88 THR H A 87 VAL HGx% 1.0 0.0 4.5 670 602 A 91 ALA HB% A 87 VAL HGx% 1.0 0.0 5.5 671 603 A 87 VAL HGy% A 31 SER HA 1.0 0.0 5.5 672 604 A 87 VAL HGy% A 84 ASP HBy 1.0 0.0 5.5 673 605 A 87 VAL HGy% A 90 ASN H 1.0 0.0 5.5 674 606 A 87 VAL HGy% A 91 ALA HB% 1.0 0.0 4.5 675 607 A 91 ALA H A 87 VAL HGy% 1.0 0.0 3.5 676 608 A 87 VAL H A 85 LEU HA 1.0 0.0 5.5 677 609 A 86 GLY H A 87 VAL H 1.0 0.0 4.5 678 610 A 32 PHE HD% A 88 THR HA 1.0 0.0 5.5 679 611 A 32 PHE HE% A 88 THR HA 1.0 0.0 5.5 680 612 A 32 PHE HZ A 88 THR HA 1.0 0.0 5.5 681 613 A 88 THR HB A 89 THR H 1.0 0.0 5.5 682 614 A 91 ALA HB% A 88 THR HB 1.0 0.0 5.5 683 615 A 77 ILE HB A 88 THR HG2% 1.0 0.0 5.5 684 616 A 78 ALA HA A 88 THR HG2% 1.0 0.0 4.5 685 617 A 78 ALA HB% A 88 THR HG2% 1.0 0.0 3.5 686 618 A 79 ALA HA A 88 THR HG2% 1.0 0.0 5.5 687 619 A 90 ASN H A 88 THR HG2% 1.0 0.0 5.5 688 620 A 92 ILE HD1% A 88 THR HG2% 1.0 0.0 3.0 689 621 A 92 ILE H A 88 THR HG2% 1.0 0.0 5.5 690 622 A 88 THR HG2% A 93 ALA H 1.0 0.0 5.0 691 623 A 85 LEU HA A 88 THR H 1.0 0.0 5.5 692 624 A 86 GLY H A 88 THR H 1.0 0.0 5.5 693 625 A 87 VAL H A 88 THR H 1.0 0.0 3.5 694 626 A 85 LEU HA A 89 THR H 1.0 0.0 5.5 695 627 A 89 THR H A 85 LEU HG 1.0 0.0 5.5 696 628 A 87 VAL HB A 89 THR H 1.0 0.0 5.5 697 629 A 87 VAL H A 89 THR H 1.0 0.0 5.5 698 630 A 88 THR HA A 89 THR H 1.0 0.0 3.5 699 631 A 89 THR H A 88 THR HG2% 1.0 0.0 5.5 700 632 A 88 THR H A 89 THR H 1.0 0.0 3.5 701 633 A 90 ASN H A 89 THR H 1.0 0.0 3.5 702 634 A 119 ILE HG2% A 89 THR H 1.0 0.0 5.5 703 635 A 90 ASN HA A 89 THR HA 1.0 0.0 5.5 704 636 A 91 ALA H A 90 ASN HA 1.0 0.0 5.5 705 637 A 93 ALA H A 90 ASN HA 1.0 0.0 5.5 706 638 A 90 ASN HA A 112 ILE HG2% 1.0 0.0 5.5 707 639 A 91 ALA H A 90 ASN HB2 1.0 0.0 5.5 708 640 A 91 ALA H A 90 ASN H 1.0 0.0 4.5 709 641 A 26 ALA HA A 91 ALA HA 1.0 0.0 5.5 710 642 A 29 THR HG2% A 91 ALA HA 1.0 0.0 2.7 711 643 A 30 GLY H A 91 ALA HA 1.0 0.0 5.5 712 644 A 32 PHE HE% A 91 ALA HA 1.0 0.0 5.5 713 645 A 92 ILE H A 91 ALA HA 1.0 0.0 5.5 714 646 A 31 SER HA A 91 ALA HB% 1.0 0.0 5.5 715 647 A 32 PHE HD% A 91 ALA HB% 1.0 0.0 3.5 716 648 A 32 PHE HZ A 91 ALA HB% 1.0 0.0 4.5 717 649 A 90 ASN H A 91 ALA HB% 1.0 0.0 5.5 718 650 A 92 ILE H A 91 ALA HB% 1.0 0.0 3.5 719 651 A 95 ALA H A 91 ALA HB% 1.0 0.0 5.5 720 652 A 92 ILE HA A 22 PHE HZ 1.0 0.0 5.5 721 653 A 22 PHE HZ A 92 ILE HD1% 1.0 0.0 3.5 722 654 A 32 PHE HZ A 92 ILE HD1% 1.0 0.0 4.5 723 655 A 75 ALA HA A 92 ILE HD1% 1.0 0.0 4.5 724 656 A 22 PHE HE% A 92 ILE HG2% 1.0 0.0 4.5 725 657 A 22 PHE HZ A 92 ILE HG2% 1.0 0.0 4.5 726 658 A 95 ALA H A 92 ILE HG2% 1.0 0.0 5.5 727 659 A 32 PHE HZ A 92 ILE H 1.0 0.0 5.5 728 660 A 91 ALA H A 92 ILE H 1.0 0.0 4.5 729 661 A 92 ILE H A 93 ALA H 1.0 0.0 4.5 730 662 A 92 ILE H A 93 ALA HB% 1.0 0.0 5.5 731 663 A 91 ALA H A 93 ALA H 1.0 0.0 5.5 732 664 A 93 ALA HA A 112 ILE HB 1.0 0.0 5.5 733 665 A 93 ALA HA A 112 ILE HD1% 1.0 0.0 3.5 734 666 A 93 ALA HA A 112 ILE HG13 1.0 0.0 3.5 735 666 A 93 ALA HA A 112 ILE HG12 1.0 0.0 3.5 736 667 A 112 ILE HG2% A 93 ALA HA 1.0 0.0 3.0 737 668 A 93 ALA HA A 96 LEU HD1% 1.0 0.0 4.5 738 669 A 93 ALA HA A 96 LEU H 1.0 0.0 3.5 739 670 A 93 ALA H A 115 ILE HG2% 1.0 0.0 5.0 740 671 A 93 ALA H A 119 ILE HD1% 1.0 0.0 5.0 741 672 A 88 THR HA A 93 ALA H 1.0 0.0 5.5 742 673 A 88 THR HG2% A 93 ALA H 1.0 0.0 4.5 743 674 A 93 ALA H A 90 ASN HA 1.0 0.0 4.5 744 675 A 91 ALA HA A 93 ALA H 1.0 0.0 5.5 745 676 A 91 ALA H A 93 ALA H 1.0 0.0 4.5 746 677 A 92 ILE HA A 93 ALA H 1.0 0.0 4.5 747 678 A 92 ILE HD1% A 93 ALA H 1.0 0.0 5.0 748 679 A 92 ILE H A 93 ALA H 1.0 0.0 3.0 749 680 A 93 ALA H A 94 ASP HBy 1.0 0.0 5.0 750 680 A 94 ASP HBx A 93 ALA H 1.0 0.0 5.0 751 681 A 25 ALA HB% A 94 ASP HA 1.0 0.0 5.5 752 682 A 93 ALA HB% A 94 ASP HA 1.0 0.0 4.5 753 683 A 95 ALA HA A 94 ASP HA 1.0 0.0 5.5 754 684 A 95 ALA H A 94 ASP HA 1.0 0.0 4.5 755 685 A 96 LEU H A 94 ASP HA 1.0 0.0 4.5 756 686 A 94 ASP HA A 98 SER H 1.0 0.0 5.5 757 687 A 29 THR HG2% A 94 ASP HBy 1.0 0.0 5.5 758 688 A 25 ALA HB% A 94 ASP HBx 1.0 0.0 5.5 759 689 A 94 ASP HBx A 29 THR HG2% 1.0 0.0 4.5 760 690 A 95 ALA HA A 94 ASP HBx 1.0 0.0 5.5 761 691 A 95 ALA H A 94 ASP HBx 1.0 0.0 4.5 762 692 A 91 ALA H A 94 ASP H 1.0 0.0 4.5 763 693 A 94 ASP H A 93 ALA H 1.0 0.0 3.0 764 694 A 95 ALA H A 94 ASP H 1.0 0.0 3.5 765 695 A 22 PHE HA A 95 ALA HB% 1.0 0.0 5.5 766 696 A 95 ALA HB% A 22 PHE HE% 1.0 0.0 3.5 767 697 A 95 ALA HB% A 22 PHE HZ 1.0 0.0 5.5 768 698 A 26 ALA H A 95 ALA HB% 1.0 0.0 4.5 769 699 A 95 ALA HB% A 27 SER H 1.0 0.0 5.5 770 700 A 95 ALA HB% A 92 ILE HA 1.0 0.0 5.5 771 701 A 92 ILE HA A 95 ALA H 1.0 0.0 5.5 772 702 A 96 LEU HA A 112 ILE HD1% 1.0 0.0 5.5 773 703 A 18 PHE HD% A 96 LEU HA 1.0 0.0 5.5 774 704 A 18 PHE HE% A 96 LEU HA 1.0 0.0 5.5 775 705 A 96 LEU HA A 22 PHE HE% 1.0 0.0 5.5 776 706 A 96 LEU HA A 97 THR H 1.0 0.0 5.5 777 707 A 99 ALA HA A 96 LEU HA 1.0 0.0 5.5 778 708 A 99 ALA H A 96 LEU HA 1.0 0.0 4.5 779 709 A 100 PHE HD% A 96 LEU HA 1.0 0.0 5.5 780 710 A 100 PHE H A 96 LEU HA 1.0 0.0 5.5 781 711 A 96 LEU HA A 111 PHE HD% 1.0 0.0 5.5 782 712 A 18 PHE HD% A 96 LEU HD1% 1.0 0.0 4.5 783 713 A 18 PHE HE% A 96 LEU HD1% 1.0 0.0 5.5 784 714 A 18 PHE HZ A 96 LEU HD1% 1.0 0.0 3.5 785 715 A 22 PHE HA A 96 LEU HD1% 1.0 0.0 5.5 786 716 A 96 LEU HD1% A 22 PHE HBy 1.0 0.0 5.5 787 717 A 22 PHE HD% A 96 LEU HD1% 1.0 0.0 3.5 788 718 A 22 PHE HE% A 96 LEU HD1% 1.0 0.0 4.5 789 719 A 70 PHE HD% A 96 LEU HD1% 1.0 0.0 4.5 790 720 A 70 PHE HE% A 96 LEU HD1% 1.0 0.0 4.5 791 721 A 92 ILE HG2% A 96 LEU HD1% 1.0 0.0 4.5 792 722 A 93 ALA HB% A 96 LEU HD1% 1.0 0.0 5.5 793 723 A 95 ALA H A 96 LEU HD1% 1.0 0.0 5.5 794 724 A 96 LEU HD1% A 97 THR H 1.0 0.0 5.5 795 725 A 100 PHE HD% A 96 LEU HD1% 1.0 0.0 5.5 796 726 A 96 LEU HD1% A 100 PHE HE% 1.0 0.0 4.5 797 727 A 111 PHE HD% A 96 LEU HD1% 1.0 0.0 4.5 798 728 A 96 LEU HD1% A 112 ILE HA 1.0 0.0 5.5 799 729 A 96 LEU HD1% A 112 ILE H 1.0 0.0 5.5 800 730 A 115 ILE HG2% A 116 ARG H 1.0 0.0 3.5 801 731 A 96 LEU H A 22 PHE HBx 1.0 0.0 5.5 802 732 A 22 PHE HD% A 96 LEU H 1.0 0.0 5.5 803 733 A 22 PHE HE% A 96 LEU H 1.0 0.0 5.5 804 734 A 92 ILE HA A 96 LEU H 1.0 0.0 5.5 805 735 A 95 ALA H A 96 LEU H 1.0 0.0 3.5 806 736 A 96 LEU H A 97 THR H 1.0 0.0 5.5 807 737 A 112 ILE HG2% A 97 THR HA 1.0 0.0 5.5 808 738 A 100 PHE HD% A 97 THR HB 1.0 0.0 5.5 809 739 A 97 THR HB A 101 TYR HE% 1.0 0.0 4.5 810 740 A 112 ILE HG2% A 97 THR HB 1.0 0.0 5.5 811 741 A 101 TYR HE% A 97 THR HG2% 1.0 0.0 2.7 812 742 A 98 SER H A 97 THR H 1.0 0.0 4.5 813 743 A 112 ILE HG2% A 97 THR H 1.0 0.0 5.5 814 744 A 97 THR HB A 98 SER HA 1.0 0.0 4.5 815 745 A 97 THR HG2% A 98 SER HA 1.0 0.0 5.5 816 746 A 99 ALA H A 98 SER HA 1.0 0.0 5.5 817 747 A 98 SER HA A 101 TYR HB2 1.0 0.0 4.5 818 748 A 98 SER HA A 101 TYR HD% 1.0 0.0 3.5 819 749 A 101 TYR HE% A 98 SER HA 1.0 0.0 4.5 820 750 A 98 SER HA A 101 TYR H 1.0 0.0 5.5 821 751 A 98 SER HA A 102 GLN H 1.0 0.0 5.5 822 752 A 98 SER H A 97 THR HA 1.0 0.0 5.5 823 753 A 99 ALA HB% A 98 SER H 1.0 0.0 4.5 824 754 A 99 ALA H A 98 SER H 1.0 0.0 4.5 825 755 A 98 SER H A 101 TYR HE% 1.0 0.0 5.5 826 756 A 99 ALA HB% A 23 ILE H 1.0 0.0 5.5 827 757 A 100 PHE H A 99 ALA H 1.0 0.0 5.5 828 758 A 100 PHE HA A 18 PHE HE% 1.0 0.0 5.5 829 759 A 100 PHE HD% A 108 ASN HBx 1.0 0.0 3.5 830 759 A 100 PHE HD% A 108 ASN HBy 1.0 0.0 3.5 831 760 A 100 PHE HD% A 18 PHE HE% 1.0 0.0 5.5 832 761 A 100 PHE HD% A 99 ALA H 1.0 0.0 5.5 833 762 A 100 PHE HD% A 100 PHE HZ 1.0 0.0 5.5 834 763 A 100 PHE HD% A 112 ILE HB 1.0 0.0 5.5 835 764 A 100 PHE HD% A 112 ILE HD1% 1.0 0.0 3.5 836 765 A 7 THR HB A 100 PHE HE% 1.0 0.0 5.5 837 766 A 9 TRP HH2 A 100 PHE HE% 1.0 0.0 5.5 838 767 A 100 PHE HE% A 9 TRP HZ2 1.0 0.0 4.5 839 768 A 9 TRP HZ3 A 100 PHE HE% 1.0 0.0 5.5 840 769 A 18 PHE HD% A 100 PHE HE% 1.0 0.0 5.5 841 770 A 18 PHE HE% A 100 PHE HE% 1.0 0.0 5.5 842 771 A 18 PHE HZ A 100 PHE HE% 1.0 0.0 4.5 843 772 A 100 PHE HE% A 97 THR HA 1.0 0.0 5.5 844 773 A 100 PHE HZ A 100 PHE HE% 1.0 0.0 3.5 845 774 A 104 THR HG2% A 100 PHE HE% 1.0 0.0 5.5 846 775 A 100 PHE HE% A 108 ASN HA 1.0 0.0 5.5 847 776 A 100 PHE HE% A 109 SER H 1.0 0.0 5.5 848 777 A 100 PHE HE% A 112 ILE HA 1.0 0.0 5.5 849 778 A 112 ILE HB A 100 PHE HE% 1.0 0.0 5.5 850 779 A 112 ILE HG12 A 100 PHE HE% 1.0 0.0 5.5 851 780 A 100 PHE HD% A 101 TYR HD% 1.0 0.0 5.5 852 781 A 101 TYR HA A 104 THR H 1.0 0.0 5.5 853 782 A 101 TYR HA A 105 GLY HAy 1.0 0.0 5.5 854 783 A 101 TYR HA A 106 VAL H 1.0 0.0 5.5 855 784 A 97 THR HG2% A 101 TYR HD% 1.0 0.0 3.5 856 785 A 98 SER H A 101 TYR HD% 1.0 0.0 5.5 857 786 A 99 ALA H A 101 TYR HD% 1.0 0.0 5.5 858 787 A 101 TYR HD% A 100 PHE HBy 1.0 0.0 4.5 859 788 A 100 PHE HD% A 101 TYR HD% 1.0 0.0 5.5 860 789 A 101 TYR HD% A 102 GLN H 1.0 0.0 5.5 861 790 A 101 TYR HD% A 105 GLY HAy 1.0 0.0 5.5 862 791 A 101 TYR HD% A 105 GLY HAx 1.0 0.0 4.5 863 792 A 101 TYR HD% A 106 VAL H 1.0 0.0 5.5 864 793 A 99 ALA H A 101 TYR H 1.0 0.0 5.5 865 794 A 101 TYR H A 100 PHE HBy 1.0 0.0 5.5 866 795 A 101 TYR H A 100 PHE HBx 1.0 0.0 5.5 867 796 A 101 TYR H A 102 GLN H 1.0 0.0 5.5 868 797 A 101 TYR H A 105 GLY HAx 1.0 0.0 5.5 869 798 A 102 GLN HA A 103 THR HA 1.0 0.0 5.5 870 799 A 102 GLN HA A 103 THR H 1.0 0.0 3.5 871 800 A 100 PHE H A 102 GLN H 1.0 0.0 5.5 872 801 A 103 THR HG2% A 102 GLN H 1.0 0.0 5.5 873 802 A 17 ALA HB% A 103 THR HA 1.0 0.0 5.5 874 803 A 102 GLN H A 103 THR HA 1.0 0.0 5.5 875 804 A 104 THR H A 103 THR HA 1.0 0.0 5.5 876 805 A 14 ASN HA A 103 THR HG2% 1.0 0.0 5.5 877 806 A 103 THR HG2% A 14 ASN HBx 1.0 0.0 5.5 878 807 A 15 ALA HA A 103 THR HG2% 1.0 0.0 5.5 879 808 A 17 ALA H A 103 THR HG2% 1.0 0.0 5.5 880 809 A 103 THR HG2% A 18 PHE HA 1.0 0.0 3.5 881 810 A 103 THR HG2% A 18 PHE HBy 1.0 0.0 5.5 882 811 A 103 THR HG2% A 18 PHE HBx 1.0 0.0 4.5 883 812 A 18 PHE HD% A 103 THR HG2% 1.0 0.0 4.5 884 813 A 103 THR HG2% A 18 PHE HE% 1.0 0.0 5.5 885 814 A 18 PHE H A 103 THR HG2% 1.0 0.0 3.0 886 815 A 20 ASN H A 103 THR HG2% 1.0 0.0 5.5 887 816 A 103 THR HG2% A 21 SER HBy 1.0 0.0 5.5 888 817 A 103 THR HG2% A 22 PHE H 1.0 0.0 5.5 889 818 A 103 THR HG2% A 102 GLN HBy 1.0 0.0 5.5 890 819 A 18 PHE HD% A 103 THR H 1.0 0.0 5.5 891 820 A 100 PHE HA A 103 THR H 1.0 0.0 5.5 892 821 A 103 THR H A 102 GLN HBy 1.0 0.0 5.5 893 822 A 103 THR H A 102 GLN HBx 1.0 0.0 5.5 894 823 A 102 GLN H A 103 THR H 1.0 0.0 3.5 895 824 A 104 THR H A 103 THR H 1.0 0.0 3.5 896 825 A 103 THR H A 105 GLY H 1.0 0.0 5.5 897 826 A 105 GLY H A 104 THR HA 1.0 0.0 5.5 898 827 A 106 VAL H A 104 THR HA 1.0 0.0 5.5 899 828 A 104 THR HG2% A 100 PHE HD% 1.0 0.0 4.5 900 829 A 103 THR HB A 104 THR H 1.0 0.0 5.5 901 830 A 104 THR H A 105 GLY HAx 1.0 0.0 5.5 902 831 A 100 PHE HD% A 105 GLY H 1.0 0.0 5.5 903 832 A 101 TYR HA A 105 GLY H 1.0 0.0 5.5 904 833 A 101 TYR HD% A 105 GLY H 1.0 0.0 5.5 905 834 A 104 THR HG2% A 105 GLY H 1.0 0.0 5.5 906 835 A 104 THR H A 105 GLY H 1.0 0.0 3.5 907 836 A 105 GLY H A 106 VAL HG1% 1.0 0.0 5.5 908 837 A 106 VAL HA A 107 VAL H 1.0 0.0 2.7 909 838 A 106 VAL HB A 107 VAL HA 1.0 0.0 5.5 910 839 A 100 PHE HA A 106 VAL HG1% 1.0 0.0 5.5 911 840 A 100 PHE HE% A 106 VAL HG1% 1.0 0.0 5.5 912 841 A 105 GLY HAy A 106 VAL HG1% 1.0 0.0 5.5 913 842 A 105 GLY HAx A 106 VAL HG1% 1.0 0.0 5.5 914 843 A 100 PHE HD% A 106 VAL H 1.0 0.0 5.5 915 844 A 100 PHE HE% A 106 VAL H 1.0 0.0 4.5 916 845 A 104 THR HG2% A 106 VAL H 1.0 0.0 5.5 917 846 A 104 THR H A 106 VAL H 1.0 0.0 5.5 918 847 A 105 GLY HAy A 106 VAL H 1.0 0.0 5.5 919 848 A 106 VAL H A 105 GLY HAx 1.0 0.0 4.5 920 849 A 100 PHE HD% A 106 VAL HB 1.0 0.0 5.5 921 850 A 107 VAL HG1% A 100 PHE HE% 1.0 0.0 4.5 922 851 A 107 VAL HG1% A 106 VAL H 1.0 0.0 5.5 923 852 A 107 VAL HG1% A 110 ARG HDx 1.0 0.0 5.5 924 853 A 107 VAL H A 100 PHE HBx 1.0 0.0 5.5 925 854 A 100 PHE HD% A 107 VAL H 1.0 0.0 5.5 926 855 A 107 VAL H A 106 VAL HB 1.0 0.0 4.5 927 856 A 106 VAL HG1% A 107 VAL H 1.0 0.0 4.5 928 857 A 106 VAL H A 107 VAL H 1.0 0.0 5.5 929 858 A 108 ASN HA A 108 ASN H 1.0 0.0 5.5 930 859 A 110 ARG HA A 111 PHE H 1.0 0.0 5.5 931 860 A 9 TRP HH2 A 110 ARG HGy 1.0 0.0 5.5 932 861 A 109 SER H A 110 ARG H 1.0 0.0 4.5 933 862 A 110 ARG H A 111 PHE HA 1.0 0.0 5.5 934 863 A 112 ILE H A 111 PHE HA 1.0 0.0 5.5 935 864 A 111 PHE HA A 114 GLU H 1.0 0.0 5.5 936 865 A 18 PHE HE% A 111 PHE HD% 1.0 0.0 5.5 937 866 A 18 PHE HZ A 111 PHE HD% 1.0 0.0 5.5 938 867 A 111 PHE HD% A 68 MET HA 1.0 0.0 5.5 939 868 A 111 PHE HD% A 100 PHE HE% 1.0 0.0 3.5 940 869 A 100 PHE HZ A 111 PHE HD% 1.0 0.0 5.5 941 870 A 111 PHE HD% A 112 ILE HA 1.0 0.0 4.5 942 871 A 111 PHE HD% A 112 ILE H 1.0 0.0 5.5 943 872 A 111 PHE HD% A 114 GLU H 1.0 0.0 5.5 944 873 A 111 PHE HD% A 115 ILE HB 1.0 0.0 5.5 945 874 A 111 PHE HD% A 115 ILE H 1.0 0.0 5.5 946 875 A 111 PHE H A 113 SER HB2 1.0 0.0 5.5 947 875 A 111 PHE H A 113 SER HB3 1.0 0.0 5.5 948 876 A 111 PHE H A 110 ARG HGy 1.0 0.0 5.5 949 877 A 111 PHE H A 112 ILE HD1% 1.0 0.0 5.5 950 878 A 111 PHE H A 113 SER H 1.0 0.0 5.5 951 879 A 112 ILE HA A 113 SER H 1.0 0.0 5.5 952 880 A 112 ILE HA A 115 ILE HB 1.0 0.0 5.5 953 881 A 112 ILE HA A 113 SER HA 1.0 0.0 5.5 954 882 A 112 ILE HB A 113 SER HA 1.0 0.0 5.5 955 883 A 112 ILE HG2% A 113 SER HA 1.0 0.0 4.5 956 884 A 113 SER HA A 116 ARG HBx 1.0 0.0 3.5 957 885 A 113 SER HA A 116 ARG HG2 1.0 0.0 4.5 958 886 A 112 ILE H A 113 SER H 1.0 0.0 4.5 959 887 A 114 GLU HA A 115 ILE HA 1.0 0.0 5.5 960 888 A 115 ILE H A 114 GLU HA 1.0 0.0 5.5 961 889 A 116 ARG H A 114 GLU HA 1.0 0.0 5.5 962 890 A 114 GLU HA A 117 SER H 1.0 0.0 4.5 963 891 A 114 GLU HA A 118 LEU HDy% 1.0 0.0 5.5 964 892 A 114 GLU HA A 118 LEU HG 1.0 0.0 5.5 965 893 A 114 GLU HA A 118 LEU H 1.0 0.0 5.5 966 894 A 112 ILE HG2% A 114 GLU H 1.0 0.0 5.5 967 895 A 112 ILE H A 114 GLU H 1.0 0.0 5.5 968 896 A 114 GLU H A 113 SER H 1.0 0.0 3.5 969 897 A 114 GLU H A 115 ILE H 1.0 0.0 5.5 970 898 A 92 ILE HG2% A 115 ILE HA 1.0 0.0 5.5 971 899 A 116 ARG H A 115 ILE HA 1.0 0.0 5.5 972 900 A 115 ILE HA A 117 SER H 1.0 0.0 5.5 973 901 A 115 ILE HA A 118 LEU H 1.0 0.0 5.5 974 902 A 122 PHE HE% A 115 ILE HA 1.0 0.0 5.5 975 903 A 71 ALA H A 115 ILE HD1% 1.0 0.0 5.5 976 904 A 111 PHE HD% A 115 ILE HD1% 1.0 0.0 4.5 977 905 A 74 VAL HB A 115 ILE HG2% 1.0 0.0 5.5 978 906 A 122 PHE HE% A 115 ILE HG2% 1.0 0.0 5.5 979 907 A 117 SER H A 116 ARG HA 1.0 0.0 5.5 980 908 A 119 ILE HG2% A 116 ARG HA 1.0 0.0 4.5 981 909 A 116 ARG HA A 119 ILE H 1.0 0.0 5.5 982 910 A 115 ILE H A 116 ARG HBx 1.0 0.0 5.5 983 911 A 119 ILE H A 116 ARG HG3 1.0 0.0 5.5 984 912 A 116 ARG H A 115 ILE H 1.0 0.0 5.5 985 913 A 116 ARG H A 117 SER H 1.0 0.0 4.5 986 914 A 117 SER H A 120 GLY H 1.0 0.0 5.5 987 915 A 118 LEU HA A 119 ILE H 1.0 0.0 5.5 988 916 A 118 LEU HA A 122 PHE HD% 1.0 0.0 5.5 989 917 A 122 PHE HE% A 118 LEU HA 1.0 0.0 4.5 990 918 A 122 PHE HE% A 118 LEU HDy% 1.0 0.0 4.5 991 919 A 117 SER H A 118 LEU H 1.0 0.0 4.5 992 920 A 118 LEU H A 119 ILE H 1.0 0.0 4.5 993 921 A 118 LEU H A 120 GLY H 1.0 0.0 5.5 994 922 A 119 ILE HA A 120 GLY H 1.0 0.0 5.5 995 923 A 122 PHE HE% A 119 ILE HA 1.0 0.0 5.5 996 924 A 75 ALA HA A 119 ILE HB 1.0 0.0 5.5 997 925 A 120 GLY H A 119 ILE HB 1.0 0.0 5.5 998 926 A 79 ALA H A 119 ILE HG2% 1.0 0.0 4.5 999 927 A 80 SER H A 119 ILE HG2% 1.0 0.0 5.5 1000 928 A 119 ILE HG2% A 120 GLY H 1.0 0.0 5.5 1001 929 A 119 ILE HG2% A 122 PHE H 1.0 0.0 5.5 1002 930 A 120 GLY HAx A 121 MET H 1.0 0.0 5.5 1003 931 A 120 GLY HAx A 123 ALA HB% 1.0 0.0 5.5 1004 932 A 120 GLY HAy A 123 ALA HB% 1.0 0.0 5.5 1005 933 A 120 GLY HAy A 123 ALA H 1.0 0.0 5.5 1006 934 A 119 ILE H A 120 GLY H 1.0 0.0 5.5 1007 935 A 122 PHE H A 121 MET HA 1.0 0.0 5.5 1008 936 A 123 ALA H A 121 MET HA 1.0 0.0 5.5 1009 937 A 118 LEU HA A 121 MET HGy 1.0 0.0 5.5 1010 938 A 118 LEU HA A 121 MET HGx 1.0 0.0 5.5 1011 939 A 118 LEU HA A 121 MET H 1.0 0.0 5.5 1012 940 A 119 ILE H A 121 MET H 1.0 0.0 4.5 1013 941 A 120 GLY H A 121 MET H 1.0 0.0 5.5 1014 942 A 122 PHE H A 121 MET H 1.0 0.0 4.5 1015 943 A 121 MET HA A 122 PHE HA 1.0 0.0 5.5 1016 944 A 121 MET HGy A 122 PHE HA 1.0 0.0 5.5 1017 945 A 123 ALA H A 122 PHE HA 1.0 0.0 5.5 1018 946 A 122 PHE HA A 124 GLN H 1.0 0.0 5.5 1019 947 A 122 PHE HA A 125 ALA HB% 1.0 0.0 4.5 1020 948 A 122 PHE HA A 125 ALA H 1.0 0.0 5.5 1021 949 A 122 PHE HA A 126 SER H 1.0 0.0 5.5 1022 950 A 122 PHE HBx A 123 ALA H 1.0 0.0 5.5 1023 951 A 122 PHE HD% A 119 ILE HA 1.0 0.0 5.5 1024 952 A 122 PHE HD% A 119 ILE H 1.0 0.0 5.5 1025 953 A 122 PHE HD% A 120 GLY H 1.0 0.0 5.5 1026 954 A 122 PHE HE% A 76 GLN HA 1.0 0.0 5.5 1027 955 A 122 PHE HZ A 122 PHE HE% 1.0 0.0 3.5 1028 956 A 118 LEU HA A 122 PHE H 1.0 0.0 5.5 1029 957 A 119 ILE H A 122 PHE H 1.0 0.0 5.5 1030 958 A 120 GLY H A 122 PHE H 1.0 0.0 5.5 1031 959 A 123 ALA HA A 124 GLN H 1.0 0.0 3.5 1032 960 A 123 ALA HA A 126 SER HBx 1.0 0.0 5.5 1033 961 A 123 ALA HA A 126 SER H 1.0 0.0 5.5 1034 962 A 123 ALA HB% A 122 PHE H 1.0 0.0 5.5 1035 963 A 123 ALA HB% A 124 GLN HGy 1.0 0.0 5.5 1036 964 A 123 ALA HB% A 124 GLN H 1.0 0.0 3.5 1037 965 A 123 ALA HB% A 125 ALA H 1.0 0.0 5.5 1038 966 A 123 ALA H A 122 PHE H 1.0 0.0 5.5 1039 967 A 123 ALA HB% A 124 GLN HA 1.0 0.0 4.5 1040 968 A 125 ALA H A 124 GLN HA 1.0 0.0 4.5 1041 969 A 124 GLN HA A 127 ALA HB% 1.0 0.0 4.5 1042 970 A 121 MET HA A 124 GLN HGx 1.0 0.0 4.5 1043 971 A 122 PHE H A 124 GLN H 1.0 0.0 5.5 1044 972 A 123 ALA H A 124 GLN H 1.0 0.0 4.5 1045 973 A 124 GLN H A 125 ALA HA 1.0 0.0 5.5 1046 974 A 121 MET HA A 125 ALA HB% 1.0 0.0 5.5 1047 975 A 125 ALA HB% A 126 SER HA 1.0 0.0 4.5 1048 976 A 122 PHE HD% A 125 ALA H 1.0 0.0 5.5 1049 977 A 124 GLN H A 125 ALA H 1.0 0.0 4.5 1050 978 A 125 ALA H A 126 SER H 1.0 0.0 5.5 1051 979 A 125 ALA HA A 126 SER HA 1.0 0.0 5.5 1052 980 A 126 SER HA A 127 ALA H 1.0 0.0 5.5 1053 981 A 126 SER HA A 128 ASN HBx 1.0 0.0 5.5 1054 982 A 126 SER H A 127 ALA HA 1.0 0.0 5.5 1055 983 A 126 SER H A 127 ALA HB% 1.0 0.0 5.5 1056 984 A 127 ALA HB% A 128 ASN HA 1.0 0.0 5.5 1057 985 A 127 ALA H A 128 ASN H 1.0 0.0 5.5 1058 986 A 128 ASN HA A 129 ASP H 1.0 0.0 4.5 1059 987 A 129 ASP HA A 130 VAL HG1% 1.0 0.0 5.5 1060 988 A 129 ASP HA A 130 VAL HA 1.0 0.0 5.5 1061 989 A 130 VAL HA A 131 TYR HD% 1.0 0.0 4.5 1062 990 A 129 ASP H A 130 VAL HG1% 1.0 0.0 5.5 1063 991 A 132 ALA HA A 130 VAL HG1% 1.0 0.0 5.5 1064 992 A 133 SER HA A 130 VAL HG1% 1.0 0.0 5.5 1065 993 A 128 ASN HA A 130 VAL H 1.0 0.0 5.5 1066 994 A 130 VAL HA A 131 TYR HA 1.0 0.0 5.5 1067 995 A 131 TYR HA A 130 VAL HG1% 1.0 0.0 5.5 1068 996 A 130 VAL H A 131 TYR HA 1.0 0.0 5.5 1069 997 A 132 ALA HA A 131 TYR HA 1.0 0.0 5.5 1070 998 A 131 TYR HA A 132 ALA HB% 1.0 0.0 5.5 1071 999 A 131 TYR HA A 132 ALA H 1.0 0.0 4.5 1072 1000 A 131 TYR HD% A 132 ALA HA 1.0 0.0 5.5 1073 1001 A 131 TYR HD% A 133 SER H 1.0 0.0 5.5 1074 1002 A 127 ALA HB% A 131 TYR HE% 1.0 0.0 5.0 1075 1003 A 131 TYR HE% A 130 VAL HB 1.0 0.0 5.0 1076 1004 A 133 SER HA A 131 TYR HE% 1.0 0.0 5.0 1077 1005 A 131 TYR H A 130 VAL HG1% 1.0 0.0 5.5 1078 1006 A 130 VAL H A 131 TYR H 1.0 0.0 5.5 1079 1007 A 132 ALA HA A 131 TYR H 1.0 0.0 5.5 1080 1008 A 132 ALA HA A 133 SER H 1.0 0.0 4.5 1081 1009 A 131 TYR HD% A 132 ALA HB% 1.0 0.0 5.5 1082 1010 A 133 SER HA A 132 ALA HB% 1.0 0.0 5.5 1083 1011 A 131 TYR HD% A 132 ALA H 1.0 0.0 5.5 1084 1012 A 132 ALA H A 131 TYR HE% 1.0 0.0 5.5 1085 1013 A 133 SER HA A 132 ALA H 1.0 0.0 5.5 1086 1014 A 9 TRP HBx A 63 LEU HD1% 1.0 0.0 4.5 1087 1014 A 9 TRP HBy A 63 LEU HD1% 1.0 0.0 4.5 1088 1014 A 63 LEU HD2% A 9 TRP HBy 1.0 0.0 4.5 1089 1014 A 63 LEU HD2% A 9 TRP HBx 1.0 0.0 4.5 1090 1015 A 12 LYS HG3 A 58 ILE HG12 1.0 0.0 3.5 1091 1015 A 12 LYS HG2 A 58 ILE HG12 1.0 0.0 3.5 1092 1015 A 58 ILE HG13 A 12 LYS HG3 1.0 0.0 3.5 1093 1015 A 58 ILE HG13 A 12 LYS HG2 1.0 0.0 3.5 1094 1016 A 12 LYS HBy A 58 ILE HG12 1.0 0.0 4.5 1095 1016 A 12 LYS HBx A 58 ILE HG12 1.0 0.0 4.5 1096 1016 A 58 ILE HG13 A 12 LYS HBy 1.0 0.0 4.5 1097 1016 A 58 ILE HG13 A 12 LYS HBx 1.0 0.0 4.5 1098 1017 A 39 ASN HA A 43 ILE H 1.0 0.0 4.5 1099 1018 A 45 ASN H A 46 THR H 1.0 0.0 3.5 1100 1019 A 45 ASN HA A 46 THR H 1.0 0.0 4.5 1101 1020 A 46 THR H A 45 ASN HB2 1.0 0.0 3.5 1102 1020 A 46 THR H A 45 ASN HB3 1.0 0.0 3.5 1103 1021 A 111 PHE HD% A 100 PHE HE% 1.0 0.0 3.5 1104 1022 A 58 ILE HG2% A 12 LYS HG3 1.0 0.0 4.5 1105 1022 A 58 ILE HG2% A 12 LYS HG2 1.0 0.0 4.5 1106 1023 A 12 LYS HG2 A 66 LEU HD1% 1.0 0.0 5.5 1107 1023 A 12 LYS HG3 A 66 LEU HD1% 1.0 0.0 5.5 1108 1024 A 12 LYS HG3 A 16 ASP HBx 1.0 0.0 5.5 1109 1024 A 12 LYS HG2 A 16 ASP HBx 1.0 0.0 5.5 1110 1024 A 16 ASP HBy A 12 LYS HG3 1.0 0.0 5.5 1111 1024 A 12 LYS HG2 A 16 ASP HBy 1.0 0.0 5.5 1112 1025 A 19 ILE HD1% A 66 LEU HD1% 1.0 0.0 5.0 1113 1026 A 70 PHE HBy A 74 VAL HGx% 1.0 0.0 5.0 1114 1026 A 70 PHE HBx A 74 VAL HGx% 1.0 0.0 5.0 1115 1027 A 63 LEU HA A 66 LEU HD1% 1.0 0.0 4.5 1116 1028 A 48 MET HA A 66 LEU HD1% 1.0 0.0 5.5 1117 1029 A 100 PHE HD% A 103 THR HG1 1.0 0.0 4.5 1118 1030 A 32 PHE HD% A 29 THR HG1 1.0 0.0 5.0 1119 1031 A 32 PHE HD% A 88 THR HG2% 1.0 0.0 5.0 1120 1032 A 32 PHE HD% A 92 ILE HG12 1.0 0.0 5.5 1121 1032 A 32 PHE HD% A 92 ILE HG13 1.0 0.0 5.5 1122 1033 A 9 TRP HE3 A 18 PHE HD% 1.0 0.0 5.5 1123 1034 A 18 PHE HD% A 22 PHE HBy 1.0 0.0 5.5 1124 1034 A 18 PHE HD% A 22 PHE HBx 1.0 0.0 5.5 1125 1035 A 18 PHE HD% A 102 GLN HBy 1.0 0.0 5.5 1126 1035 A 18 PHE HD% A 102 GLN HBx 1.0 0.0 5.5 1127 1036 A 18 PHE HD% A 19 ILE HG12 1.0 0.0 5.5 1128 1036 A 18 PHE HD% A 19 ILE HG13 1.0 0.0 5.5 1129 1037 A 18 PHE HD% A 99 ALA H 1.0 0.0 5.5 1130 1038 A 103 THR H A 101 TYR HB3 1.0 0.0 5.5 1131 1038 A 103 THR H A 101 TYR HB2 1.0 0.0 5.5 1132 1039 A 29 THR H A 32 PHE HE% 1.0 0.0 5.5 1133 1040 A 103 THR HG1 A 105 GLY H 1.0 0.0 5.5 1134 1041 A 105 GLY H A 106 VAL HA 1.0 0.0 5.5 1135 1042 A 104 THR HG2% A 105 GLY H 1.0 0.0 4.5 1136 1043 A 100 PHE HD% A 104 THR H 1.0 0.0 5.5 1137 1044 A 18 PHE HD% A 104 THR H 1.0 0.0 5.5 1138 1045 A 103 THR HG1 A 104 THR H 1.0 0.0 3.5 1139 1046 A 104 THR H A 106 VAL HG1% 1.0 0.0 5.5 1140 1047 A 80 SER H A 81 GLN HG2 1.0 0.0 5.5 1141 1047 A 81 GLN HG3 A 80 SER H 1.0 0.0 5.5 1142 1048 A 81 GLN H A 80 SER H 1.0 0.0 3.5 1143 1049 A 102 GLN H A 103 THR HA 1.0 0.0 5.5 1144 1050 A 102 GLN H A 101 TYR HA 1.0 0.0 4.5 1145 1051 A 101 TYR HB3 A 102 GLN HGx 1.0 0.0 5.0 1146 1051 A 101 TYR HB2 A 102 GLN HGx 1.0 0.0 5.0 1147 1051 A 102 GLN HGy A 101 TYR HB3 1.0 0.0 5.0 1148 1051 A 101 TYR HB2 A 102 GLN HGy 1.0 0.0 5.0 1149 1052 A 21 SER HBx A 102 GLN HGx 1.0 0.0 5.0 1150 1052 A 21 SER HBy A 102 GLN HGx 1.0 0.0 5.0 1151 1052 A 102 GLN HGy A 21 SER HBy 1.0 0.0 5.0 1152 1052 A 102 GLN HGy A 21 SER HBx 1.0 0.0 5.0 1153 1053 A 101 TYR HD% A 102 GLN HGx 1.0 0.0 5.5 1154 1053 A 101 TYR HD% A 102 GLN HGy 1.0 0.0 5.5 1155 1054 A 101 TYR H A 102 GLN HGx 1.0 0.0 5.5 1156 1054 A 101 TYR H A 102 GLN HGy 1.0 0.0 5.5 1157 1055 A 103 THR H A 102 GLN HGx 1.0 0.0 5.0 1158 1055 A 103 THR H A 102 GLN HGy 1.0 0.0 5.0 1159 1056 A 20 ASN HA A 24 SER H 1.0 0.0 4.5 1160 1057 A 121 MET HA A 124 GLN H 1.0 0.0 4.5 1161 1058 A 124 GLN H A 85 LEU HD1% 1.0 0.0 5.0 1162 1059 A 20 ASN H A 18 PHE HA 1.0 0.0 5.0 1163 1060 A 90 ASN H A 89 THR H 1.0 0.0 3.0 1164 1061 A 89 THR H A 119 ILE HB 1.0 0.0 5.5 1165 1062 A 89 THR H A 85 LEU HG 1.0 0.0 5.0 1166 1063 A 78 ALA HB% A 89 THR H 1.0 0.0 5.5 1167 1064 A 87 VAL HGy% A 89 THR H 1.0 0.0 5.5 1168 1065 A 89 THR H A 119 ILE HD1% 1.0 0.0 4.5 1169 1066 A 32 PHE H A 81 GLN HG2 1.0 0.0 5.5 1170 1066 A 32 PHE H A 81 GLN HG3 1.0 0.0 5.5 1171 1067 A 32 PHE H A 87 VAL HGx% 1.0 0.0 5.5 1172 1068 A 33 SER H A 81 GLN HG2 1.0 0.0 5.5 1173 1068 A 33 SER H A 81 GLN HG3 1.0 0.0 5.5 1174 1069 A 63 LEU HD2% A 66 LEU HD1% 1.0 0.0 5.5 1175 1069 A 63 LEU HD1% A 66 LEU HD1% 1.0 0.0 5.5 1176 1069 A 66 LEU HD2% A 63 LEU HD1% 1.0 0.0 5.5 1177 1069 A 63 LEU HD2% A 66 LEU HD2% 1.0 0.0 5.5 1178 1070 A 89 THR H A 119 ILE HD1% 1.0 0.0 5.5 1179 1071 A 119 ILE HD1% A 116 ARG H 1.0 0.0 5.5 1180 1072 A 119 ILE HD1% A 119 ILE H 1.0 0.0 5.5 1181 1073 A 119 ILE HD1% A 120 GLY H 1.0 0.0 5.5 1182 1074 A 115 ILE HD1% A 119 ILE HD1% 1.0 0.0 5.5 1183 1075 A 119 ILE HD1% A 92 ILE HG12 1.0 0.0 5.5 1184 1075 A 119 ILE HD1% A 92 ILE HG13 1.0 0.0 5.5 1185 1076 A 92 ILE HG2% A 119 ILE HD1% 1.0 0.0 5.5 1186 1077 A 89 THR H A 119 ILE HD1% 1.0 0.0 5.5 1187 1078 A 88 THR HG2% A 119 ILE HD1% 1.0 0.0 5.5 1188 1079 A 85 LEU HG A 119 ILE HD1% 1.0 0.0 5.5 1189 1080 A 119 ILE HD1% A 115 ILE HA 1.0 0.0 5.5 1190 1081 A 119 ILE HD1% A 116 ARG HA 1.0 0.0 5.5 1191 1082 A 75 ALA HA A 119 ILE HD1% 1.0 0.0 5.5 1192 1083 A 119 ILE HD1% A 89 THR HB 1.0 0.0 5.5 1193 1084 A 36 GLN HBy A 37 MET HGx 1.0 0.0 5.5 1194 1084 A 36 GLN HBx A 37 MET HGx 1.0 0.0 5.5 1195 1084 A 37 MET HGy A 36 GLN HBx 1.0 0.0 5.5 1196 1084 A 37 MET HGy A 36 GLN HBy 1.0 0.0 5.5 1197 1085 A 41 SER H A 40 MET HG2 1.0 0.0 5.5 1198 1085 A 41 SER H A 40 MET HG3 1.0 0.0 5.5 1199 1086 A 22 PHE HD% A 26 ALA H 1.0 0.0 4.5 1200 1087 A 23 ILE H A 70 PHE HE% 1.0 0.0 5.5 1201 1088 A 110 ARG H A 107 VAL HB 1.0 0.0 3.5 1202 1089 A 117 SER H A 89 THR HG2% 1.0 0.0 5.5 1203 1090 A 117 SER H A 116 ARG HG3 1.0 0.0 5.5 1204 1090 A 117 SER H A 116 ARG HG2 1.0 0.0 5.5 1205 1091 A 106 VAL H A 100 PHE HBx 1.0 0.0 5.5 1206 1091 A 106 VAL H A 100 PHE HBy 1.0 0.0 5.5 1207 1092 A 95 ALA H A 94 ASP HBy 1.0 0.0 3.0 1208 1092 A 95 ALA H A 94 ASP HBx 1.0 0.0 3.0 1209 1093 A 90 ASN H A 93 ALA H 1.0 0.0 5.0 1210 1094 A 78 ALA H A 74 VAL HA 1.0 0.0 4.5 1211 1095 A 78 ALA H A 36 GLN HBx 1.0 0.0 5.5 1212 1095 A 78 ALA H A 36 GLN HBy 1.0 0.0 5.5 1213 1096 A 91 ALA H A 87 VAL HGy% 1.0 0.0 4.5 1214 1097 A 91 ALA H A 88 THR HG2% 1.0 0.0 4.5 1215 1098 A 18 PHE H A 103 THR HG1 1.0 0.0 5.0 1216 1099 A 57 ARG H A 58 ILE H 1.0 0.0 4.5 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin 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 59 THR H A 62 LYS H 1.0 0.0 4.5 2 2 A 62 LYS H A 65 ALA HB% 1.0 0.0 5.5 3 3 A 62 LYS H A 59 THR HG2% 1.0 0.0 4.5 4 4 A 110 ARG H A 109 SER HB2 1.0 0.0 3.5 5 4 A 110 ARG H A 109 SER HB3 1.0 0.0 3.5 6 5 A 63 LEU H A 62 LYS H 1.0 0.0 3.0 7 6 A 64 GLN H A 62 LYS H 1.0 0.0 4.5 8 7 A 10 SER HA A 64 GLN H 1.0 0.0 5.5 9 8 A 64 GLN H A 63 LEU HBy 1.0 0.0 5.0 10 8 A 64 GLN H A 63 LEU HBx 1.0 0.0 5.0 11 9 A 3 GLY HAx A 4 GLN HBx 1.0 0.0 5.5 12 9 A 3 GLY HAy A 4 GLN HBx 1.0 0.0 5.5 13 9 A 4 GLN HBy A 3 GLY HAx 1.0 0.0 5.5 14 9 A 3 GLY HAy A 4 GLN HBy 1.0 0.0 5.5 15 10 A 5 ALA HB% A 4 GLN HA 1.0 0.0 5.5 16 11 A 5 ALA HA A 4 GLN HBx 1.0 0.0 5.5 17 11 A 4 GLN HBy A 5 ALA HA 1.0 0.0 5.5 18 12 A 4 GLN HA A 5 ALA HA 1.0 0.0 4.5 19 13 A 5 ALA HB% A 4 GLN HBx 1.0 0.0 5.5 20 13 A 5 ALA HB% A 4 GLN HBy 1.0 0.0 5.5 21 14 A 7 THR HG2% A 6 ASN HA 1.0 0.0 5.5 22 15 A 5 ALA HB% A 10 SER HBx 1.0 0.0 5.5 23 15 A 5 ALA HB% A 10 SER HBy 1.0 0.0 5.5 24 16 A 12 LYS HA A 15 ALA HB% 1.0 0.0 5.5 25 17 A 12 LYS HDx A 54 MET HGy 1.0 0.0 5.5 26 17 A 12 LYS HDy A 54 MET HGy 1.0 0.0 5.5 27 17 A 54 MET HGx A 12 LYS HDx 1.0 0.0 5.5 28 17 A 12 LYS HDy A 54 MET HGx 1.0 0.0 5.5 29 18 A 12 LYS HG2 A 58 ILE HD1% 1.0 0.0 4.5 30 18 A 58 ILE HD1% A 12 LYS HG3 1.0 0.0 4.5 31 19 A 13 ALA HA A 12 LYS HEx 1.0 0.0 5.5 32 19 A 12 LYS HEy A 13 ALA HA 1.0 0.0 5.5 33 20 A 15 ALA HB% A 14 ASN HBy 1.0 0.0 5.5 34 20 A 15 ALA HB% A 14 ASN HBx 1.0 0.0 5.5 35 21 A 16 ASP HA A 19 ILE HA 1.0 0.0 5.5 36 22 A 16 ASP HA A 19 ILE HD1% 1.0 0.0 4.5 37 23 A 17 ALA HA A 16 ASP HBx 1.0 0.0 4.5 38 23 A 17 ALA HA A 16 ASP HBy 1.0 0.0 4.5 39 24 A 17 ALA HB% A 16 ASP HBx 1.0 0.0 5.5 40 24 A 17 ALA HB% A 16 ASP HBy 1.0 0.0 5.5 41 25 A 15 ALA HB% A 19 ILE HD1% 1.0 0.0 5.5 42 26 A 19 ILE HG2% A 44 GLY HAx 1.0 0.0 5.5 43 26 A 19 ILE HG2% A 44 GLY HAy 1.0 0.0 5.5 44 27 A 19 ILE HB A 20 ASN HA 1.0 0.0 5.5 45 28 A 21 SER HA A 20 ASN HBx 1.0 0.0 5.5 46 28 A 21 SER HA A 20 ASN HBy 1.0 0.0 5.5 47 29 A 19 ILE HA A 22 PHE HA 1.0 0.0 5.5 48 30 A 19 ILE HA A 22 PHE HBy 1.0 0.0 5.5 49 30 A 19 ILE HA A 22 PHE HBx 1.0 0.0 5.5 50 31 A 23 ILE HD11 A 44 GLY HAx 1.0 0.0 5.5 51 31 A 44 GLY HAy A 23 ILE HD11 1.0 0.0 5.5 52 32 A 23 ILE HA A 25 ALA HB% 1.0 0.0 5.5 53 33 A 28 ASN HA A 27 SER HB2 1.0 0.0 5.5 54 33 A 27 SER HB3 A 28 ASN HA 1.0 0.0 5.5 55 34 A 29 THR HB A 91 ALA HB% 1.0 0.0 5.5 56 35 A 29 THR HG2% A 30 GLY HAx 1.0 0.0 5.5 57 35 A 29 THR HG2% A 30 GLY HAy 1.0 0.0 5.5 58 36 A 31 SER HA A 30 GLY HAx 1.0 0.0 5.5 59 36 A 30 GLY HAy A 31 SER HA 1.0 0.0 5.5 60 37 A 31 SER HA A 91 ALA HB% 1.0 0.0 5.5 61 38 A 32 PHE HA A 33 SER HBy 1.0 0.0 5.5 62 38 A 32 PHE HA A 33 SER HBx 1.0 0.0 5.5 63 39 A 35 ASP HA A 38 GLU HGx 1.0 0.0 5.5 64 39 A 35 ASP HA A 38 GLU HGy 1.0 0.0 5.5 65 40 A 36 GLN HA A 35 ASP HB2 1.0 0.0 5.5 66 40 A 36 GLN HA A 35 ASP HB3 1.0 0.0 5.5 67 41 A 32 PHE HA A 36 GLN HBx 1.0 0.0 5.5 68 41 A 32 PHE HA A 36 GLN HBy 1.0 0.0 5.5 69 42 A 78 ALA HA A 36 GLN HGx 1.0 0.0 5.5 70 42 A 78 ALA HA A 36 GLN HGy 1.0 0.0 5.5 71 43 A 40 MET HA A 77 ILE HD1% 1.0 0.0 4.5 72 44 A 51 MET HA A 58 ILE HD1% 1.0 0.0 5.5 73 45 A 54 MET HA A 57 ARG HGx 1.0 0.0 5.5 74 45 A 54 MET HA A 57 ARG HGy 1.0 0.0 5.5 75 46 A 52 ASP HA A 54 MET HBy 1.0 0.0 5.5 76 46 A 52 ASP HA A 54 MET HBx 1.0 0.0 5.5 77 47 A 54 MET HBx A 58 ILE HD1% 1.0 0.0 4.5 78 47 A 58 ILE HD1% A 54 MET HBy 1.0 0.0 4.5 79 48 A 54 MET HBy A 58 ILE HG12 1.0 0.0 5.5 80 48 A 54 MET HBx A 58 ILE HG12 1.0 0.0 5.5 81 48 A 58 ILE HG13 A 54 MET HBy 1.0 0.0 5.5 82 48 A 54 MET HBx A 58 ILE HG13 1.0 0.0 5.5 83 49 A 54 MET HE% A 57 ARG HBx 1.0 0.0 5.5 84 49 A 57 ARG HBy A 54 MET HE% 1.0 0.0 5.5 85 50 A 54 MET HE% A 57 ARG HGx 1.0 0.0 5.5 86 50 A 57 ARG HGy A 54 MET HE% 1.0 0.0 5.5 87 51 A 56 GLY HAy A 57 ARG HGx 1.0 0.0 5.0 88 51 A 56 GLY HAx A 57 ARG HGx 1.0 0.0 5.0 89 51 A 57 ARG HGy A 56 GLY HAx 1.0 0.0 5.0 90 51 A 57 ARG HGy A 56 GLY HAy 1.0 0.0 5.0 91 52 A 58 ILE HA A 57 ARG HBx 1.0 0.0 5.5 92 52 A 57 ARG HBy A 58 ILE HA 1.0 0.0 5.5 93 53 A 58 ILE HD1% A 54 MET HGy 1.0 0.0 5.5 94 53 A 54 MET HGx A 58 ILE HD1% 1.0 0.0 5.5 95 54 A 57 ARG HA A 58 ILE HD1% 1.0 0.0 5.5 96 55 A 54 MET HGx A 58 ILE HG12 1.0 0.0 5.5 97 55 A 54 MET HGy A 58 ILE HG12 1.0 0.0 5.5 98 55 A 58 ILE HG13 A 54 MET HGy 1.0 0.0 5.5 99 55 A 58 ILE HG13 A 54 MET HGx 1.0 0.0 5.5 100 56 A 9 TRP HA A 63 LEU HG 1.0 0.0 5.5 101 57 A 69 ALA HA A 72 SER HA 1.0 0.0 5.5 102 58 A 70 PHE HA A 71 ALA HB% 1.0 0.0 5.5 103 59 A 115 ILE HD1% A 71 ALA HB% 1.0 0.0 4.5 104 60 A 73 SER HA A 77 ILE HG12 1.0 0.0 5.5 105 60 A 73 SER HA A 77 ILE HG13 1.0 0.0 5.5 106 61 A 73 SER HBy A 74 VAL HGx% 1.0 0.0 5.5 107 61 A 73 SER HBx A 74 VAL HGx% 1.0 0.0 5.5 108 62 A 74 VAL HA A 77 ILE HD1% 1.0 0.0 4.5 109 63 A 71 ALA HA A 74 VAL HGx% 1.0 0.0 4.5 110 64 A 74 VAL HA A 75 ALA HA 1.0 0.0 5.5 111 65 A 74 VAL HA A 77 ILE HB 1.0 0.0 5.5 112 66 A 40 MET HBx A 77 ILE HD1% 1.0 0.0 5.5 113 66 A 77 ILE HD1% A 40 MET HBy 1.0 0.0 5.5 114 67 A 77 ILE HG2% A 40 MET HA 1.0 0.0 5.5 115 68 A 79 ALA HA A 85 LEU HD1% 1.0 0.0 4.5 116 68 A 79 ALA HA A 85 LEU HD2% 1.0 0.0 4.5 117 69 A 80 SER HBy A 81 GLN HG2 1.0 0.0 5.5 118 69 A 80 SER HBx A 81 GLN HG2 1.0 0.0 5.5 119 69 A 81 GLN HG3 A 80 SER HBx 1.0 0.0 5.5 120 69 A 81 GLN HG3 A 80 SER HBy 1.0 0.0 5.5 121 70 A 78 ALA HA A 81 GLN HB2 1.0 0.0 5.5 122 70 A 81 GLN HB3 A 78 ALA HA 1.0 0.0 5.5 123 71 A 81 GLN HG3 A 82 GLY HAy 1.0 0.0 5.5 124 71 A 82 GLY HAx A 81 GLN HG2 1.0 0.0 5.5 125 71 A 81 GLN HG3 A 82 GLY HAx 1.0 0.0 5.5 126 71 A 81 GLN HG2 A 82 GLY HAy 1.0 0.0 5.5 127 72 A 84 ASP HA A 85 LEU HA 1.0 0.0 5.5 128 73 A 84 ASP HA A 85 LEU HB2 1.0 0.0 5.5 129 73 A 84 ASP HA A 85 LEU HB3 1.0 0.0 5.5 130 74 A 87 VAL HB A 84 ASP HBy 1.0 0.0 4.5 131 74 A 87 VAL HB A 84 ASP HBx 1.0 0.0 4.5 132 75 A 85 LEU HA A 88 THR HB 1.0 0.0 4.5 133 76 A 88 THR HB A 85 LEU HB2 1.0 0.0 5.5 134 76 A 88 THR HB A 85 LEU HB3 1.0 0.0 5.5 135 77 A 84 ASP HBy A 87 VAL HGx% 1.0 0.0 4.5 136 77 A 84 ASP HBx A 87 VAL HGx% 1.0 0.0 4.5 137 78 A 86 GLY HAy A 87 VAL HGx% 1.0 0.0 5.5 138 78 A 86 GLY HAx A 87 VAL HGx% 1.0 0.0 5.5 139 79 A 31 SER HA A 87 VAL HGx% 1.0 0.0 5.5 140 79 A 87 VAL HGy% A 31 SER HA 1.0 0.0 5.5 141 80 A 78 ALA HA A 88 THR HG2% 1.0 0.0 4.5 142 81 A 89 THR HG2% A 116 ARG HD2 1.0 0.0 4.5 143 81 A 89 THR HG2% A 116 ARG HD3 1.0 0.0 4.5 144 82 A 87 VAL HA A 90 ASN HA 1.0 0.0 5.5 145 83 A 91 ALA HA A 88 THR HA 1.0 0.0 5.5 146 84 A 91 ALA HB% A 88 THR HB 1.0 0.0 5.5 147 85 A 22 PHE HA A 95 ALA HA 1.0 0.0 5.5 148 86 A 95 ALA HB% A 96 LEU HB2 1.0 0.0 5.5 149 86 A 95 ALA HB% A 96 LEU HB3 1.0 0.0 5.5 150 87 A 115 ILE HD1% A 96 LEU HD1% 1.0 0.0 5.5 151 88 A 99 ALA HB% A 22 PHE HBy 1.0 0.0 4.5 152 88 A 99 ALA HB% A 22 PHE HBx 1.0 0.0 4.5 153 89 A 103 THR HG2% A 18 PHE HA 1.0 0.0 3.5 154 90 A 104 THR HG2% A 6 ASN HA 1.0 0.0 5.5 155 91 A 71 ALA HB% A 115 ILE HA 1.0 0.0 5.5 156 92 A 71 ALA HA A 115 ILE HD1% 1.0 0.0 4.5 157 93 A 71 ALA HA A 115 ILE HG2% 1.0 0.0 5.5 158 94 A 74 VAL HB A 115 ILE HG2% 1.0 0.0 5.5 159 95 A 119 ILE HB A 85 LEU HD1% 1.0 0.0 5.5 160 96 A 119 ILE HG2% A 85 LEU HG 1.0 0.0 5.5 161 97 A 123 ALA HB% A 85 LEU HB2 1.0 0.0 5.5 162 97 A 123 ALA HB% A 85 LEU HB3 1.0 0.0 5.5 163 98 A 123 ALA HB% A 85 LEU HG 1.0 0.0 5.5 164 99 A 131 TYR HA A 130 VAL HG1% 1.0 0.0 5.0 165 99 A 131 TYR HA A 130 VAL HG2% 1.0 0.0 5.0 166 100 A 131 TYR HA A 132 ALA HB% 1.0 0.0 5.0 167 101 A 85 LEU HD2% A 88 THR HB 1.0 0.0 5.5 168 101 A 88 THR HB A 85 LEU HD1% 1.0 0.0 5.5 169 102 A 91 ALA HA A 30 GLY HAx 1.0 0.0 4.5 170 102 A 91 ALA HA A 30 GLY HAy 1.0 0.0 4.5 171 103 A 29 THR HA A 30 GLY HAx 1.0 0.0 4.5 172 103 A 29 THR HA A 30 GLY HAy 1.0 0.0 4.5 173 104 A 54 MET HBy A 56 GLY HAx 1.0 0.0 5.5 174 104 A 56 GLY HAy A 54 MET HBy 1.0 0.0 5.5 175 104 A 54 MET HBx A 56 GLY HAy 1.0 0.0 5.5 176 104 A 54 MET HBx A 56 GLY HAx 1.0 0.0 5.5 177 105 A 56 GLY HAy A 57 ARG HBx 1.0 0.0 5.0 178 105 A 56 GLY HAx A 57 ARG HBx 1.0 0.0 5.0 179 105 A 57 ARG HBy A 56 GLY HAx 1.0 0.0 5.0 180 105 A 57 ARG HBy A 56 GLY HAy 1.0 0.0 5.0 181 106 A 56 GLY HAx A 57 ARG HGx 1.0 0.0 5.0 182 106 A 56 GLY HAy A 57 ARG HGx 1.0 0.0 5.0 183 106 A 57 ARG HGy A 56 GLY HAx 1.0 0.0 5.0 184 106 A 57 ARG HGy A 56 GLY HAy 1.0 0.0 5.0 185 107 A 112 ILE HG12 A 97 THR HB 1.0 0.0 5.5 186 107 A 112 ILE HG2% A 97 THR HB 1.0 0.0 5.5 187 107 A 97 THR HB A 112 ILE HG13 1.0 0.0 5.5 188 108 A 97 THR HB A 112 ILE HD1% 1.0 0.0 5.0 189 109 A 112 ILE HG13 A 116 ARG HD2 1.0 0.0 5.0 190 109 A 116 ARG HD3 A 112 ILE HG13 1.0 0.0 5.0 191 109 A 112 ILE HG12 A 116 ARG HD3 1.0 0.0 5.0 192 109 A 112 ILE HG2% A 116 ARG HD3 1.0 0.0 5.0 193 109 A 112 ILE HG2% A 116 ARG HD2 1.0 0.0 5.0 194 109 A 112 ILE HG12 A 116 ARG HD2 1.0 0.0 5.0 195 110 A 58 ILE HD1% A 12 LYS HDx 1.0 0.0 4.5 196 110 A 12 LYS HDy A 58 ILE HD1% 1.0 0.0 4.5 197 111 A 54 MET HA A 58 ILE HD1% 1.0 0.0 5.0 198 112 A 58 ILE HD1% A 56 GLY HAx 1.0 0.0 5.0 199 112 A 56 GLY HAy A 58 ILE HD1% 1.0 0.0 5.0 200 113 A 43 ILE HA A 46 THR HA 1.0 0.0 5.5 201 114 A 21 SER HBx A 102 GLN HGx 1.0 0.0 4.5 202 114 A 21 SER HBy A 102 GLN HGx 1.0 0.0 4.5 203 114 A 102 GLN HGy A 21 SER HBy 1.0 0.0 4.5 204 114 A 102 GLN HGy A 21 SER HBx 1.0 0.0 4.5 205 115 A 99 ALA HA A 102 GLN HGx 1.0 0.0 4.5 206 115 A 99 ALA HA A 102 GLN HGy 1.0 0.0 4.5 207 116 A 99 ALA HB% A 102 GLN HGx 1.0 0.0 4.5 208 116 A 99 ALA HB% A 102 GLN HGy 1.0 0.0 4.5 209 117 A 103 THR HG2% A 102 GLN HGx 1.0 0.0 4.5 210 117 A 103 THR HG2% A 102 GLN HGy 1.0 0.0 4.5 211 118 A 17 ALA HB% A 102 GLN HBy 1.0 0.0 5.5 212 118 A 17 ALA HB% A 102 GLN HBx 1.0 0.0 5.5 213 119 A 103 THR HG2% A 102 GLN HBy 1.0 0.0 5.5 214 119 A 103 THR HG2% A 102 GLN HBx 1.0 0.0 5.5 215 120 A 21 SER HBx A 102 GLN HBy 1.0 0.0 4.5 216 120 A 21 SER HBy A 102 GLN HBy 1.0 0.0 4.5 217 120 A 102 GLN HBx A 21 SER HBy 1.0 0.0 4.5 218 120 A 102 GLN HBx A 21 SER HBx 1.0 0.0 4.5 219 121 A 103 THR HA A 102 GLN HBy 1.0 0.0 4.5 220 121 A 103 THR HA A 102 GLN HBx 1.0 0.0 4.5 221 122 A 120 GLY H A 117 SER HA 1.0 0.0 4.0 222 123 A 126 SER H A 128 ASN H 1.0 0.0 4.5 223 124 A 126 SER HA A 128 ASN H 1.0 0.0 4.0 224 125 A 20 ASN HD2x A 21 SER HBy 1.0 0.0 5.5 225 125 A 20 ASN HD2y A 21 SER HBy 1.0 0.0 5.5 226 126 A 124 GLN HA A 128 ASN H 1.0 0.0 5.5 227 127 A 5 ALA H A 4 GLN HBx 1.0 0.0 3.5 228 127 A 4 GLN HBy A 5 ALA H 1.0 0.0 3.5 229 128 A 5 ALA HB% A 7 THR H 1.0 0.0 5.5 230 129 A 9 TRP H A 7 THR H 1.0 0.0 5.5 231 130 A 9 TRP HE3 A 15 ALA HB% 1.0 0.0 5.5 232 131 A 9 TRP HE3 A 18 PHE HD% 1.0 0.0 4.5 233 132 A 33 SER H A 35 ASP H 1.0 0.0 5.5 234 133 A 30 GLY H A 29 THR HG1 1.0 0.0 4.5 235 134 A 29 THR H A 32 PHE HD% 1.0 0.0 4.5 236 135 A 22 PHE HE% A 95 ALA H 1.0 0.0 5.0 237 136 A 7 THR H A 10 SER HBx 1.0 0.0 5.0 238 136 A 7 THR H A 10 SER HBy 1.0 0.0 5.0 239 137 A 40 MET H A 39 ASN HA 1.0 0.0 3.5 240 138 A 40 MET H A 77 ILE HG12 1.0 0.0 5.0 241 138 A 40 MET H A 77 ILE HG13 1.0 0.0 5.0 242 139 A 77 ILE HG2% A 40 MET H 1.0 0.0 5.0 243 140 A 23 ILE HG2% A 40 MET H 1.0 0.0 5.0 244 141 A 40 MET H A 77 ILE HD1% 1.0 0.0 4.5 245 142 A 68 MET H A 65 ALA HA 1.0 0.0 4.5 246 143 A 64 GLN HA A 68 MET H 1.0 0.0 4.5 247 144 A 74 VAL H A 73 SER HBx 1.0 0.0 3.5 248 144 A 74 VAL H A 73 SER HBy 1.0 0.0 3.5 249 145 A 74 VAL H A 73 SER HA 1.0 0.0 3.5 250 146 A 57 ARG HA A 58 ILE HB 1.0 0.0 5.0 251 147 A 57 ARG HA A 54 MET HE% 1.0 0.0 4.5 252 148 A 54 MET HBy A 57 ARG HBx 1.0 0.0 4.0 253 148 A 54 MET HBx A 57 ARG HBx 1.0 0.0 4.0 254 148 A 57 ARG HBy A 54 MET HBy 1.0 0.0 4.0 255 148 A 54 MET HBx A 57 ARG HBy 1.0 0.0 4.0 256 149 A 70 PHE HZ A 96 LEU HD1% 1.0 0.0 4.5 257 150 A 70 PHE HZ A 19 ILE HD1% 1.0 0.0 4.5 258 151 A 70 PHE HE% A 115 ILE HD1% 1.0 0.0 4.5 259 152 A 101 TYR HE% A 106 VAL HB 1.0 0.0 5.5 260 153 A 101 TYR HE% A 107 VAL HB 1.0 0.0 5.5 261 154 A 128 ASN HA A 131 TYR HE% 1.0 0.0 5.5 262 155 A 131 TYR HE% A 130 VAL HG1% 1.0 0.0 5.5 263 156 A 22 PHE HZ A 74 VAL HGx% 1.0 0.0 4.5 264 156 A 22 PHE HZ A 74 VAL HGy% 1.0 0.0 4.5 265 157 A 131 TYR HD% A 130 VAL HB 1.0 0.0 4.5 266 158 A 32 PHE HZ A 78 ALA HA 1.0 0.0 4.5 267 159 A 32 PHE HZ A 92 ILE HA 1.0 0.0 4.5 268 160 A 32 PHE HZ A 88 THR HA 1.0 0.0 4.5 269 161 A 32 PHE HZ A 91 ALA HB% 1.0 0.0 3.5 270 162 A 32 PHE HZ A 26 ALA HB% 1.0 0.0 4.0 271 163 A 32 PHE HZ A 88 THR HG2% 1.0 0.0 3.5 272 164 A 32 PHE HZ A 77 ILE HD1% 1.0 0.0 5.5 273 165 A 32 PHE HZ A 92 ILE HG2% 1.0 0.0 5.5 274 166 A 32 PHE HZ A 77 ILE HG2% 1.0 0.0 5.5 275 167 A 19 ILE HB A 45 ASN HA 1.0 0.0 4.0 276 168 A 45 ASN HA A 48 MET HB2 1.0 0.0 4.5 277 168 A 45 ASN HA A 48 MET HB3 1.0 0.0 4.5 278 169 A 45 ASN HA A 47 LEU HB2 1.0 0.0 4.5 279 169 A 45 ASN HA A 47 LEU HB3 1.0 0.0 4.5 280 170 A 45 ASN HA A 23 ILE HG12 1.0 0.0 5.5 281 170 A 45 ASN HA A 23 ILE HG2% 1.0 0.0 5.5 282 170 A 45 ASN HA A 23 ILE HG13 1.0 0.0 5.5 283 171 A 20 ASN H A 45 ASN HA 1.0 0.0 5.5 284 172 A 47 LEU H A 48 MET HA 1.0 0.0 5.5 285 173 A 48 MET HA A 50 ALA HB% 1.0 0.0 4.5 286 174 A 48 MET HA A 47 LEU HB2 1.0 0.0 4.5 287 174 A 48 MET HA A 47 LEU HB3 1.0 0.0 4.5 288 175 A 48 MET HA A 51 MET HB2 1.0 0.0 4.5 289 175 A 48 MET HA A 51 MET HB3 1.0 0.0 4.5 290 176 A 46 THR H A 49 ALA HB% 1.0 0.0 5.5 291 177 A 50 ALA H A 49 ALA HB% 1.0 0.0 3.5 292 178 A 52 ASP H A 49 ALA HB% 1.0 0.0 4.5 293 179 A 50 ALA HA A 49 ALA HB% 1.0 0.0 4.5 294 180 A 49 ALA HB% A 52 ASP HB2 1.0 0.0 5.0 295 180 A 49 ALA HB% A 52 ASP HB3 1.0 0.0 5.0 296 181 A 49 ALA HB% A 46 THR HG2% 1.0 0.0 4.0 297 182 A 5 ALA HB% A 4 GLN HA 1.0 0.0 4.5 298 183 A 4 GLN HA A 5 ALA H 1.0 0.0 4.5 299 184 A 13 ALA H A 11 SER HB2 1.0 0.0 3.5 300 184 A 13 ALA H A 11 SER HB3 1.0 0.0 3.5 301 185 A 11 SER HB2 A 14 ASN HBy 1.0 0.0 4.5 302 185 A 14 ASN HBx A 11 SER HB2 1.0 0.0 4.5 303 185 A 14 ASN HBx A 11 SER HB3 1.0 0.0 4.5 304 185 A 11 SER HB3 A 14 ASN HBy 1.0 0.0 4.5 305 186 A 13 ALA HB% A 11 SER HB2 1.0 0.0 4.0 306 186 A 13 ALA HB% A 11 SER HB3 1.0 0.0 4.0 307 187 A 11 SER HB2 A 12 LYS HBy 1.0 0.0 5.5 308 187 A 11 SER HB3 A 12 LYS HBy 1.0 0.0 5.5 309 187 A 12 LYS HBx A 11 SER HB2 1.0 0.0 5.5 310 187 A 12 LYS HBx A 11 SER HB3 1.0 0.0 5.5 311 188 A 48 MET HA A 47 LEU HB2 1.0 0.0 4.5 312 188 A 48 MET HA A 47 LEU HB3 1.0 0.0 4.5 313 189 A 54 MET HA A 53 ASN HB2 1.0 0.0 5.0 314 189 A 54 MET HA A 53 ASN HB3 1.0 0.0 5.0 315 190 A 50 ALA HB% A 53 ASN HB2 1.0 0.0 5.0 316 190 A 50 ALA HB% A 53 ASN HB3 1.0 0.0 5.0 317 191 A 50 ALA HB% A 54 MET HGy 1.0 0.0 5.5 318 191 A 54 MET HGx A 50 ALA HB% 1.0 0.0 5.5 319 192 A 12 LYS HDx A 54 MET HGy 1.0 0.0 5.0 320 192 A 12 LYS HDy A 54 MET HGy 1.0 0.0 5.0 321 192 A 54 MET HGx A 12 LYS HDx 1.0 0.0 5.0 322 192 A 12 LYS HDy A 54 MET HGx 1.0 0.0 5.0 323 193 A 12 LYS HBx A 54 MET HGy 1.0 0.0 5.5 324 193 A 12 LYS HBy A 54 MET HGy 1.0 0.0 5.5 325 193 A 54 MET HGx A 12 LYS HBy 1.0 0.0 5.5 326 193 A 12 LYS HBx A 54 MET HGx 1.0 0.0 5.5 327 194 A 57 ARG H A 54 MET HGy 1.0 0.0 4.5 328 194 A 57 ARG H A 54 MET HGx 1.0 0.0 4.5 329 195 A 57 ARG H A 54 MET HGy 1.0 0.0 4.5 330 195 A 57 ARG H A 54 MET HGx 1.0 0.0 4.5 331 196 A 58 ILE HB A 54 MET HGy 1.0 0.0 5.5 332 196 A 58 ILE HB A 54 MET HGx 1.0 0.0 5.5 333 197 A 58 ILE HG2% A 54 MET HGy 1.0 0.0 5.5 334 197 A 58 ILE HG2% A 54 MET HGx 1.0 0.0 5.5 335 198 A 54 MET HGx A 58 ILE HD1% 1.0 0.0 5.5 336 198 A 58 ILE HD1% A 54 MET HGy 1.0 0.0 5.5 337 199 A 54 MET HGx A 63 LEU HD1% 1.0 0.0 5.5 338 199 A 54 MET HGy A 63 LEU HD1% 1.0 0.0 5.5 339 200 A 12 LYS HDx A 54 MET HGy 1.0 0.0 5.0 340 200 A 12 LYS HDy A 54 MET HGy 1.0 0.0 5.0 341 200 A 54 MET HGx A 12 LYS HDx 1.0 0.0 5.0 342 200 A 12 LYS HDy A 54 MET HGx 1.0 0.0 5.0 343 201 A 69 ALA HB% A 66 LEU HA 1.0 0.0 3.5 344 202 A 69 ALA HB% A 66 LEU HD1% 1.0 0.0 5.5 345 203 A 43 ILE HG21 A 69 ALA HB% 1.0 0.0 5.0 346 204 A 70 PHE H A 69 ALA HB% 1.0 0.0 3.5 347 205 A 58 ILE HD1% A 66 LEU HD1% 1.0 0.0 5.5 348 206 A 58 ILE HD1% A 12 LYS HG3 1.0 0.0 3.0 349 206 A 12 LYS HG2 A 58 ILE HD1% 1.0 0.0 3.0 350 207 A 54 MET HE% A 58 ILE HD1% 1.0 0.0 3.0 351 208 A 58 ILE HD1% A 54 MET HBy 1.0 0.0 4.5 352 208 A 54 MET HBx A 58 ILE HD1% 1.0 0.0 4.5 353 209 A 54 MET HGx A 58 ILE HD1% 1.0 0.0 4.5 354 209 A 58 ILE HD1% A 54 MET HGy 1.0 0.0 4.5 355 210 A 54 MET HA A 58 ILE HD1% 1.0 0.0 4.5 356 211 A 57 ARG HA A 58 ILE HD1% 1.0 0.0 5.5 357 212 A 52 ASP HA A 58 ILE HD1% 1.0 0.0 5.5 358 213 A 59 THR H A 58 ILE HD1% 1.0 0.0 3.5 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 6 ASN C A 7 THR N A 7 THR CA A 7 THR C 1.0 -164.88 -44.88 PHI 2 2 A 7 THR C A 8 PRO N A 8 PRO CA A 8 PRO C 1.0 -83.54 -41.00 PHI 3 3 A 8 PRO C A 9 TRP N A 9 TRP CA A 9 TRP C 1.0 -146.75 -42.69 PHI 4 4 A 9 TRP C A 10 SER N A 10 SER CA A 10 SER C 1.0 -104.38 -42.96 PHI 5 5 A 11 SER C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -73.89 -42.73 PHI 6 6 A 12 LYS C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -93.22 -46.22 PHI 7 7 A 13 ALA C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 -71.26 -57.22 PHI 8 8 A 14 ASN C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -72.42 -55.24 PHI 9 9 A 15 ALA C A 16 ASP N A 16 ASP CA A 16 ASP C 1.0 -68.66 -55.16 PHI 10 10 A 16 ASP C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -77.21 -51.85 PHI 11 11 A 17 ALA C A 18 PHE N A 18 PHE CA A 18 PHE C 1.0 -73.69 -53.47 PHI 12 12 A 18 PHE C A 19 ILE N A 19 ILE CA A 19 ILE C 1.0 -75.02 -54.50 PHI 13 13 A 19 ILE C A 20 ASN N A 20 ASN CA A 20 ASN C 1.0 -68.11 -51.13 PHI 14 14 A 20 ASN C A 21 SER N A 21 SER CA A 21 SER C 1.0 -77.38 -54.84 PHI 15 15 A 21 SER C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -71.86 -59.26 PHI 16 16 A 22 PHE C A 23 ILE N A 23 ILE CA A 23 ILE C 1.0 -72.14 -50.32 PHI 17 17 A 23 ILE C A 24 SER N A 24 SER CA A 24 SER C 1.0 -67.90 -53.42 PHI 18 18 A 24 SER C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -77.61 -52.71 PHI 19 19 A 25 ALA C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -81.18 -49.58 PHI 20 20 A 26 ALA C A 27 SER N A 27 SER CA A 27 SER C 1.0 -80.75 -55.11 PHI 21 21 A 27 SER C A 28 ASN N A 28 ASN CA A 28 ASN C 1.0 -105.44 -46.38 PHI 22 22 A 28 ASN C A 29 THR N A 29 THR CA A 29 THR C 1.0 -123.42 -34.36 PHI 23 23 A 32 PHE C A 33 SER N A 33 SER CA A 33 SER C 1.0 -96.45 -59.89 PHI 24 24 A 33 SER C A 34 GLN N A 34 GLN CA A 34 GLN C 1.0 -67.86 -52.76 PHI 25 25 A 34 GLN C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -74.38 -56.32 PHI 26 26 A 35 ASP C A 36 GLN N A 36 GLN CA A 36 GLN C 1.0 -76.03 -56.57 PHI 27 27 A 36 GLN C A 37 MET N A 37 MET CA A 37 MET C 1.0 -74.16 -63.48 PHI 28 28 A 37 MET C A 38 GLU N A 38 GLU CA A 38 GLU C 1.0 -79.08 -57.08 PHI 29 29 A 38 GLU C A 39 ASN N A 39 ASN CA A 39 ASN C 1.0 -74.77 -55.87 PHI 30 30 A 39 ASN C A 40 MET N A 40 MET CA A 40 MET C 1.0 -68.36 -56.88 PHI 31 31 A 40 MET C A 41 SER N A 41 SER CA A 41 SER C 1.0 -70.01 -55.95 PHI 32 32 A 41 SER C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -119.19 -60.89 PHI 33 33 A 42 LEU C A 43 ILE N A 43 ILE CA A 43 ILE C 1.0 -163.47 -110.43 PHI 34 34 A 44 GLY C A 45 ASN N A 45 ASN CA A 45 ASN C 1.0 -78.25 -52.57 PHI 35 35 A 45 ASN C A 46 THR N A 46 THR CA A 46 THR C 1.0 -71.85 -58.65 PHI 36 36 A 46 THR C A 47 LEU N A 47 LEU CA A 47 LEU C 1.0 -75.02 -52.88 PHI 37 37 A 47 LEU C A 48 MET N A 48 MET CA A 48 MET C 1.0 -75.64 -52.92 PHI 38 38 A 48 MET C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -72.80 -61.50 PHI 39 39 A 49 ALA C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -69.60 -53.62 PHI 40 40 A 50 ALA C A 51 MET N A 51 MET CA A 51 MET C 1.0 -69.59 -54.45 PHI 41 41 A 51 MET C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 -74.11 -53.79 PHI 42 42 A 52 ASP C A 53 ASN N A 53 ASN CA A 53 ASN C 1.0 -70.96 -52.54 PHI 43 43 A 53 ASN C A 54 MET N A 54 MET CA A 54 MET C 1.0 -90.46 -42.48 PHI 44 44 A 56 GLY C A 57 ARG N A 57 ARG CA A 57 ARG C 1.0 -138.27 -47.07 PHI 45 45 A 57 ARG C A 58 ILE N A 58 ILE CA A 58 ILE C 1.0 -116.96 -45.58 PHI 46 46 A 58 ILE C A 59 THR N A 59 THR CA A 59 THR C 1.0 -148.20 -85.52 PHI 47 47 A 61 SER C A 62 LYS N A 62 LYS CA A 62 LYS C 1.0 -80.80 -36.98 PHI 48 48 A 62 LYS C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -74.27 -49.45 PHI 49 49 A 63 LEU C A 64 GLN N A 64 GLN CA A 64 GLN C 1.0 -75.75 -55.35 PHI 50 50 A 64 GLN C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -71.92 -51.16 PHI 51 51 A 65 ALA C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -73.90 -52.56 PHI 52 52 A 66 LEU C A 67 ASP N A 67 ASP CA A 67 ASP C 1.0 -76.75 -48.99 PHI 53 53 A 67 ASP C A 68 MET N A 68 MET CA A 68 MET C 1.0 -71.97 -54.31 PHI 54 54 A 68 MET C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -73.25 -55.69 PHI 55 55 A 69 ALA C A 70 PHE N A 70 PHE CA A 70 PHE C 1.0 -75.77 -53.01 PHI 56 56 A 70 PHE C A 71 ALA N A 71 ALA CA A 71 ALA C 1.0 -70.23 -50.61 PHI 57 57 A 71 ALA C A 72 SER N A 72 SER CA A 72 SER C 1.0 -69.19 -51.49 PHI 58 58 A 72 SER C A 73 SER N A 73 SER CA A 73 SER C 1.0 -70.04 -56.60 PHI 59 59 A 73 SER C A 74 VAL N A 74 VAL CA A 74 VAL C 1.0 -74.94 -57.44 PHI 60 60 A 74 VAL C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -73.63 -47.97 PHI 61 61 A 75 ALA C A 76 GLN N A 76 GLN CA A 76 GLN C 1.0 -76.02 -50.72 PHI 62 62 A 76 GLN C A 77 ILE N A 77 ILE CA A 77 ILE C 1.0 -74.01 -53.89 PHI 63 63 A 77 ILE C A 78 ALA N A 78 ALA CA A 78 ALA C 1.0 -78.17 -49.83 PHI 64 64 A 78 ALA C A 79 ALA N A 79 ALA CA A 79 ALA C 1.0 -82.02 -58.36 PHI 65 65 A 79 ALA C A 80 SER N A 80 SER CA A 80 SER C 1.0 -81.11 -50.25 PHI 66 66 A 83 GLY C A 84 ASP N A 84 ASP CA A 84 ASP C 1.0 -118.30 -44.38 PHI 67 67 A 84 ASP C A 85 LEU N A 85 LEU CA A 85 LEU C 1.0 -107.11 -19.77 PHI 68 68 A 85 LEU C A 86 GLY N A 86 GLY CA A 86 GLY C 1.0 -71.08 -54.42 PHI 69 69 A 86 GLY C A 87 VAL N A 87 VAL CA A 87 VAL C 1.0 -70.37 -55.77 PHI 70 70 A 87 VAL C A 88 THR N A 88 THR CA A 88 THR C 1.0 -73.77 -52.27 PHI 71 71 A 88 THR C A 89 THR N A 89 THR CA A 89 THR C 1.0 -75.77 -51.83 PHI 72 72 A 89 THR C A 90 ASN N A 90 ASN CA A 90 ASN C 1.0 -70.49 -57.67 PHI 73 73 A 90 ASN C A 91 ALA N A 91 ALA CA A 91 ALA C 1.0 -77.79 -53.49 PHI 74 74 A 91 ALA C A 92 ILE N A 92 ILE CA A 92 ILE C 1.0 -72.35 -56.09 PHI 75 75 A 92 ILE C A 93 ALA N A 93 ALA CA A 93 ALA C 1.0 -72.14 -53.66 PHI 76 76 A 93 ALA C A 94 ASP N A 94 ASP CA A 94 ASP C 1.0 -77.09 -55.45 PHI 77 77 A 94 ASP C A 95 ALA N A 95 ALA CA A 95 ALA C 1.0 -77.00 -52.14 PHI 78 78 A 95 ALA C A 96 LEU N A 96 LEU CA A 96 LEU C 1.0 -69.61 -59.77 PHI 79 79 A 96 LEU C A 97 THR N A 97 THR CA A 97 THR C 1.0 -71.78 -58.06 PHI 80 80 A 97 THR C A 98 SER N A 98 SER CA A 98 SER C 1.0 -70.60 -52.20 PHI 81 81 A 98 SER C A 99 ALA N A 99 ALA CA A 99 ALA C 1.0 -69.73 -53.73 PHI 82 82 A 99 ALA C A 100 PHE N A 100 PHE CA A 100 PHE C 1.0 -76.24 -47.30 PHI 83 83 A 100 PHE C A 101 TYR N A 101 TYR CA A 101 TYR C 1.0 -71.83 -50.57 PHI 84 84 A 101 TYR C A 102 GLN N A 102 GLN CA A 102 GLN C 1.0 -96.05 -47.79 PHI 85 85 A 102 GLN C A 103 THR N A 103 THR CA A 103 THR C 1.0 -136.20 -44.82 PHI 86 86 A 103 THR C A 104 THR N A 104 THR CA A 104 THR C 1.0 -125.71 -70.29 PHI 87 87 A 105 GLY C A 106 VAL N A 106 VAL CA A 106 VAL C 1.0 -152.65 -89.59 PHI 88 88 A 106 VAL C A 107 VAL N A 107 VAL CA A 107 VAL C 1.0 -151.07 -32.81 PHI 89 89 A 107 VAL C A 108 ASN N A 108 ASN CA A 108 ASN C 1.0 -69.49 -49.51 PHI 90 90 A 108 ASN C A 109 SER N A 109 SER CA A 109 SER C 1.0 -75.11 -55.01 PHI 91 91 A 109 SER C A 110 ARG N A 110 ARG CA A 110 ARG C 1.0 -76.60 -57.44 PHI 92 92 A 110 ARG C A 111 PHE N A 111 PHE CA A 111 PHE C 1.0 -73.58 -53.80 PHI 93 93 A 111 PHE C A 112 ILE N A 112 ILE CA A 112 ILE C 1.0 -71.64 -56.62 PHI 94 94 A 112 ILE C A 113 SER N A 113 SER CA A 113 SER C 1.0 -67.97 -55.89 PHI 95 95 A 113 SER C A 114 GLU N A 114 GLU CA A 114 GLU C 1.0 -72.55 -57.23 PHI 96 96 A 114 GLU C A 115 ILE N A 115 ILE CA A 115 ILE C 1.0 -72.59 -55.85 PHI 97 97 A 115 ILE C A 116 ARG N A 116 ARG CA A 116 ARG C 1.0 -65.97 -54.51 PHI 98 98 A 116 ARG C A 117 SER N A 117 SER CA A 117 SER C 1.0 -73.17 -57.41 PHI 99 99 A 117 SER C A 118 LEU N A 118 LEU CA A 118 LEU C 1.0 -74.58 -56.20 PHI 100 100 A 118 LEU C A 119 ILE N A 119 ILE CA A 119 ILE C 1.0 -67.24 -57.78 PHI 101 101 A 119 ILE C A 120 GLY N A 120 GLY CA A 120 GLY C 1.0 -71.05 -57.23 PHI 102 102 A 120 GLY C A 121 MET N A 121 MET CA A 121 MET C 1.0 -71.44 -52.76 PHI 103 103 A 121 MET C A 122 PHE N A 122 PHE CA A 122 PHE C 1.0 -69.95 -59.25 PHI 104 104 A 122 PHE C A 123 ALA N A 123 ALA CA A 123 ALA C 1.0 -70.12 -49.98 PHI 105 105 A 123 ALA C A 124 GLN N A 124 GLN CA A 124 GLN C 1.0 -70.55 -55.57 PHI 106 106 A 124 GLN C A 125 ALA N A 125 ALA CA A 125 ALA C 1.0 -80.98 -45.36 PHI 107 107 A 125 ALA C A 126 SER N A 126 SER CA A 126 SER C 1.0 -75.53 -55.71 PHI 108 108 A 126 SER C A 127 ALA N A 127 ALA CA A 127 ALA C 1.0 -83.18 -52.12 PHI 109 109 A 127 ALA C A 128 ASN N A 128 ASN CA A 128 ASN C 1.0 -94.64 -45.30 PHI 110 110 A 128 ASN C A 129 ASP N A 129 ASP CA A 129 ASP C 1.0 -94.64 -45.30 PHI 111 111 A 129 ASP C A 130 VAL N A 130 VAL CA A 130 VAL C 1.0 -95.61 -42.45 PHI 112 112 A 131 TYR C A 132 ALA N A 132 ALA CA A 132 ALA C 1.0 -172.05 -45.71 PHI 113 113 A 7 THR N A 7 THR CA A 7 THR C A 8 PRO N 1.0 115.24 172.42 PSI 114 114 A 8 PRO N A 8 PRO CA A 8 PRO C A 9 TRP N 1.0 -34.91 -5.85 PSI 115 115 A 9 TRP N A 9 TRP CA A 9 TRP C A 10 SER N 1.0 -48.98 61.38 PSI 116 116 A 10 SER N A 10 SER CA A 10 SER C A 11 SER N 1.0 -66.70 24.02 PSI 117 117 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 ALA N 1.0 -54.78 -28.86 PSI 118 118 A 13 ALA N A 13 ALA CA A 13 ALA C A 14 ASN N 1.0 -49.34 -20.06 PSI 119 119 A 14 ASN N A 14 ASN CA A 14 ASN C A 15 ALA N 1.0 -54.67 -29.71 PSI 120 120 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 ASP N 1.0 -57.31 -26.39 PSI 121 121 A 16 ASP N A 16 ASP CA A 16 ASP C A 17 ALA N 1.0 -55.87 -29.83 PSI 122 122 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 PHE N 1.0 -56.31 -15.01 PSI 123 123 A 18 PHE N A 18 PHE CA A 18 PHE C A 19 ILE N 1.0 -52.83 -37.43 PSI 124 124 A 19 ILE N A 19 ILE CA A 19 ILE C A 20 ASN N 1.0 -53.88 -37.08 PSI 125 125 A 20 ASN N A 20 ASN CA A 20 ASN C A 21 SER N 1.0 -49.89 -32.83 PSI 126 126 A 21 SER N A 21 SER CA A 21 SER C A 22 PHE N 1.0 -50.52 -30.92 PSI 127 127 A 22 PHE N A 22 PHE CA A 22 PHE C A 23 ILE N 1.0 -51.90 -36.78 PSI 128 128 A 23 ILE N A 23 ILE CA A 23 ILE C A 24 SER N 1.0 -55.61 -31.03 PSI 129 129 A 24 SER N A 24 SER CA A 24 SER C A 25 ALA N 1.0 -59.63 -18.35 PSI 130 130 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 ALA N 1.0 -54.76 -27.12 PSI 131 131 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 SER N 1.0 -56.90 -16.08 PSI 132 132 A 27 SER N A 27 SER CA A 27 SER C A 28 ASN N 1.0 -58.64 -2.46 PSI 133 133 A 28 ASN N A 28 ASN CA A 28 ASN C A 29 THR N 1.0 -68.47 6.63 PSI 134 134 A 31 SER N A 31 SER CA A 31 SER C A 32 PHE N 1.0 -64.53 12.13 PSI 135 135 A 33 SER N A 33 SER CA A 33 SER C A 34 GLN N 1.0 138.30 184.72 PSI 136 136 A 34 GLN N A 34 GLN CA A 34 GLN C A 35 ASP N 1.0 -50.01 -30.39 PSI 137 137 A 35 ASP N A 35 ASP CA A 35 ASP C A 36 GLN N 1.0 -48.36 -36.10 PSI 138 138 A 36 GLN N A 36 GLN CA A 36 GLN C A 37 MET N 1.0 -54.61 -31.67 PSI 139 139 A 37 MET N A 37 MET CA A 37 MET C A 38 GLU N 1.0 -42.15 -23.57 PSI 140 140 A 38 GLU N A 38 GLU CA A 38 GLU C A 39 ASN N 1.0 -54.97 -20.11 PSI 141 141 A 39 ASN N A 39 ASN CA A 39 ASN C A 40 MET N 1.0 -46.15 -32.57 PSI 142 142 A 40 MET N A 40 MET CA A 40 MET C A 41 SER N 1.0 -52.79 -32.45 PSI 143 143 A 41 SER N A 41 SER CA A 41 SER C A 42 LEU N 1.0 -58.06 -24.54 PSI 144 144 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 ILE N 1.0 -69.45 7.21 PSI 145 145 A 43 ILE N A 43 ILE CA A 43 ILE C A 44 GLY N 1.0 129.90 192.64 PSI 146 146 A 45 ASN N A 45 ASN CA A 45 ASN C A 46 THR N 1.0 -71.18 12.18 PSI 147 147 A 46 THR N A 46 THR CA A 46 THR C A 47 LEU N 1.0 -54.26 -35.28 PSI 148 148 A 47 LEU N A 47 LEU CA A 47 LEU C A 48 MET N 1.0 -49.28 -24.80 PSI 149 149 A 48 MET N A 48 MET CA A 48 MET C A 49 ALA N 1.0 -53.51 -6.09 PSI 150 150 A 49 ALA N A 49 ALA CA A 49 ALA C A 50 ALA N 1.0 -52.33 -17.21 PSI 151 151 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 MET N 1.0 -61.45 -22.89 PSI 152 152 A 51 MET N A 51 MET CA A 51 MET C A 52 ASP N 1.0 -48.87 -29.89 PSI 153 153 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 ASN N 1.0 -62.34 -8.52 PSI 154 154 A 53 ASN N A 53 ASN CA A 53 ASN C A 54 MET N 1.0 -64.13 -16.79 PSI 155 155 A 54 MET N A 54 MET CA A 54 MET C A 55 GLY N 1.0 -69.83 -0.69 PSI 156 156 A 57 ARG N A 57 ARG CA A 57 ARG C A 58 ILE N 1.0 112.55 162.47 PSI 157 157 A 58 ILE N A 58 ILE CA A 58 ILE C A 59 THR N 1.0 84.64 175.84 PSI 158 158 A 59 THR N A 59 THR CA A 59 THR C A 60 PRO N 1.0 121.88 189.42 PSI 159 159 A 62 LYS N A 62 LYS CA A 62 LYS C A 63 LEU N 1.0 -52.11 -29.55 PSI 160 160 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 GLN N 1.0 -51.37 -27.31 PSI 161 161 A 64 GLN N A 64 GLN CA A 64 GLN C A 65 ALA N 1.0 -51.41 -28.81 PSI 162 162 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 LEU N 1.0 -50.93 -29.47 PSI 163 163 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 ASP N 1.0 -53.29 -31.99 PSI 164 164 A 67 ASP N A 67 ASP CA A 67 ASP C A 68 MET N 1.0 -56.09 -22.15 PSI 165 165 A 68 MET N A 68 MET CA A 68 MET C A 69 ALA N 1.0 -50.42 -27.18 PSI 166 166 A 69 ALA N A 69 ALA CA A 69 ALA C A 70 PHE N 1.0 -51.19 -34.95 PSI 167 167 A 70 PHE N A 70 PHE CA A 70 PHE C A 71 ALA N 1.0 -54.00 -35.82 PSI 168 168 A 71 ALA N A 71 ALA CA A 71 ALA C A 72 SER N 1.0 -58.73 -27.03 PSI 169 169 A 72 SER N A 72 SER CA A 72 SER C A 73 SER N 1.0 -54.26 -30.84 PSI 170 170 A 73 SER N A 73 SER CA A 73 SER C A 74 VAL N 1.0 -49.47 -33.15 PSI 171 171 A 74 VAL N A 74 VAL CA A 74 VAL C A 75 ALA N 1.0 -49.98 -35.04 PSI 172 172 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 GLN N 1.0 -58.94 -27.00 PSI 173 173 A 76 GLN N A 76 GLN CA A 76 GLN C A 77 ILE N 1.0 -57.00 -22.80 PSI 174 174 A 77 ILE N A 77 ILE CA A 77 ILE C A 78 ALA N 1.0 -54.62 -27.16 PSI 175 175 A 78 ALA N A 78 ALA CA A 78 ALA C A 79 ALA N 1.0 -53.92 -21.60 PSI 176 176 A 79 ALA N A 79 ALA CA A 79 ALA C A 80 SER N 1.0 -67.97 16.33 PSI 177 177 A 80 SER N A 80 SER CA A 80 SER C A 81 GLN N 1.0 -56.69 -20.39 PSI 178 178 A 84 ASP N A 84 ASP CA A 84 ASP C A 85 LEU N 1.0 82.72 147.16 PSI 179 179 A 85 LEU N A 85 LEU CA A 85 LEU C A 86 GLY N 1.0 -65.22 11.68 PSI 180 180 A 86 GLY N A 86 GLY CA A 86 GLY C A 87 VAL N 1.0 -54.80 -20.30 PSI 181 181 A 87 VAL N A 87 VAL CA A 87 VAL C A 88 THR N 1.0 -53.16 -36.10 PSI 182 182 A 88 THR N A 88 THR CA A 88 THR C A 89 THR N 1.0 -55.91 -24.01 PSI 183 183 A 89 THR N A 89 THR CA A 89 THR C A 90 ASN N 1.0 -52.24 -30.80 PSI 184 184 A 90 ASN N A 90 ASN CA A 90 ASN C A 91 ALA N 1.0 -51.47 -30.37 PSI 185 185 A 91 ALA N A 91 ALA CA A 91 ALA C A 92 ILE N 1.0 -59.07 -21.57 PSI 186 186 A 92 ILE N A 92 ILE CA A 92 ILE C A 93 ALA N 1.0 -53.69 -29.25 PSI 187 187 A 93 ALA N A 93 ALA CA A 93 ALA C A 94 ASP N 1.0 -52.11 -24.63 PSI 188 188 A 94 ASP N A 94 ASP CA A 94 ASP C A 95 ALA N 1.0 -53.73 -32.25 PSI 189 189 A 95 ALA N A 95 ALA CA A 95 ALA C A 96 LEU N 1.0 -58.87 -16.81 PSI 190 190 A 96 LEU N A 96 LEU CA A 96 LEU C A 97 THR N 1.0 -42.86 -28.90 PSI 191 191 A 97 THR N A 97 THR CA A 97 THR C A 98 SER N 1.0 -53.53 -35.27 PSI 192 192 A 98 SER N A 98 SER CA A 98 SER C A 99 ALA N 1.0 -51.57 -34.11 PSI 193 193 A 99 ALA N A 99 ALA CA A 99 ALA C A 100 PHE N 1.0 -56.75 -23.31 PSI 194 194 A 100 PHE N A 100 PHE CA A 100 PHE C A 101 TYR N 1.0 -55.80 -33.50 PSI 195 195 A 101 TYR N A 101 TYR CA A 101 TYR C A 102 GLN N 1.0 -52.29 -32.57 PSI 196 196 A 102 GLN N A 102 GLN CA A 102 GLN C A 103 THR N 1.0 -59.87 -19.27 PSI 197 197 A 103 THR N A 103 THR CA A 103 THR C A 104 THR N 1.0 -58.43 13.45 PSI 198 198 A 104 THR N A 104 THR CA A 104 THR C A 105 GLY N 1.0 -41.50 22.40 PSI 199 199 A 106 VAL N A 106 VAL CA A 106 VAL C A 107 VAL N 1.0 115.36 172.34 PSI 200 200 A 107 VAL N A 107 VAL CA A 107 VAL C A 108 ASN N 1.0 122.20 193.20 PSI 201 201 A 108 ASN N A 108 ASN CA A 108 ASN C A 109 SER N 1.0 -43.95 -24.01 PSI 202 202 A 109 SER N A 109 SER CA A 109 SER C A 110 ARG N 1.0 -47.41 -30.67 PSI 203 203 A 110 ARG N A 110 ARG CA A 110 ARG C A 111 PHE N 1.0 -52.46 -30.82 PSI 204 204 A 111 PHE N A 111 PHE CA A 111 PHE C A 112 ILE N 1.0 -58.97 -25.85 PSI 205 205 A 112 ILE N A 112 ILE CA A 112 ILE C A 113 SER N 1.0 -49.49 -28.07 PSI 206 206 A 113 SER N A 113 SER CA A 113 SER C A 114 GLU N 1.0 -49.07 -29.79 PSI 207 207 A 114 GLU N A 114 GLU CA A 114 GLU C A 115 ILE N 1.0 -49.71 -36.59 PSI 208 208 A 115 ILE N A 115 ILE CA A 115 ILE C A 116 ARG N 1.0 -52.48 -35.28 PSI 209 209 A 116 ARG N A 116 ARG CA A 116 ARG C A 117 SER N 1.0 -48.80 -33.94 PSI 210 210 A 117 SER N A 117 SER CA A 117 SER C A 118 LEU N 1.0 -51.17 -34.03 PSI 211 211 A 118 LEU N A 118 LEU CA A 118 LEU C A 119 ILE N 1.0 -56.06 -27.10 PSI 212 212 A 119 ILE N A 119 ILE CA A 119 ILE C A 120 GLY N 1.0 -55.76 -29.70 PSI 213 213 A 120 GLY N A 120 GLY CA A 120 GLY C A 121 MET N 1.0 -58.98 -20.42 PSI 214 214 A 121 MET N A 121 MET CA A 121 MET C A 122 PHE N 1.0 -51.59 -36.57 PSI 215 215 A 122 PHE N A 122 PHE CA A 122 PHE C A 123 ALA N 1.0 -58.43 -28.37 PSI 216 216 A 123 ALA N A 123 ALA CA A 123 ALA C A 124 GLN N 1.0 -62.74 -13.50 PSI 217 217 A 124 GLN N A 124 GLN CA A 124 GLN C A 125 ALA N 1.0 -67.06 -17.04 PSI 218 218 A 125 ALA N A 125 ALA CA A 125 ALA C A 126 SER N 1.0 -59.01 -18.29 PSI 219 219 A 126 SER N A 126 SER CA A 126 SER C A 127 ALA N 1.0 -58.57 -12.35 PSI 220 220 A 127 ALA N A 127 ALA CA A 127 ALA C A 128 ASN N 1.0 -59.09 -12.07 PSI 221 221 A 128 ASN N A 128 ASN CA A 128 ASN C A 129 ASP N 1.0 -64.34 0.90 PSI 222 222 A 129 ASP N A 129 ASP CA A 129 ASP C A 130 VAL N 1.0 -64.34 0.90 PSI 223 223 A 130 VAL N A 130 VAL CA A 130 VAL C A 131 TYR N 1.0 -62.11 -11.91 PSI 224 224 A 132 ALA N A 132 ALA CA A 132 ALA C A 133 SER N 1.0 70.39 203.61 PSI stop_ save_