data_nef_c17577_2lbv save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 59 CYS SG 1 152 CYS SG 2 1 EB4 O5 3 1 GA GA 2 1 EB4 O3 3 1 GA GA 2 1 EB4 O1 3 1 GA GA 2 1 EB4 O4 3 1 GA GA 2 1 EB4 O6 3 1 GA GA 2 1 EB4 O2 3 1 GA GA stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 THR middle . . 3 A 3 VAL middle . . 4 A 4 PRO middle . false 5 A 5 ASP middle . . 6 A 6 ARG middle . . 7 A 7 SER middle . . 8 A 8 GLU middle . . 9 A 9 ILE middle . . 10 A 10 ALA middle . . 11 A 11 GLY middle . false 12 A 12 LYS middle . . 13 A 13 TRP middle . . 14 A 14 TYR middle . . 15 A 15 VAL middle . . 16 A 16 VAL middle . . 17 A 17 ALA middle . . 18 A 18 LEU middle . . 19 A 19 ALA middle . . 20 A 20 SER middle . . 21 A 21 ASN middle . . 22 A 22 THR middle . . 23 A 23 GLU middle . . 24 A 24 PHE middle . . 25 A 25 PHE middle . . 26 A 26 LEU middle . . 27 A 27 ARG middle . . 28 A 28 GLU middle . . 29 A 29 LYS middle . . 30 A 30 ASP middle . . 31 A 31 LYS middle . . 32 A 32 MET middle . . 33 A 33 LYS middle . . 34 A 34 MET middle . . 35 A 35 ALA middle . . 36 A 36 MET middle . . 37 A 37 ALA middle . . 38 A 38 ARG middle . . 39 A 39 ILE middle . . 40 A 40 SER middle . . 41 A 41 PHE middle . . 42 A 42 LEU middle . . 43 A 43 GLY middle . false 44 A 44 GLU middle . . 45 A 45 ASP middle . . 46 A 46 GLU middle . . 47 A 47 LEU middle . . 48 A 48 LYS middle . . 49 A 49 VAL middle . . 50 A 50 SER middle . . 51 A 51 TYR middle . . 52 A 52 ALA middle . . 53 A 53 VAL middle . . 54 A 54 PRO middle . false 55 A 55 LYS middle . . 56 A 56 PRO middle . false 57 A 57 ASN middle . . 58 A 58 GLY middle . false 59 A 59 CYS middle -HG . 60 A 60 ARG middle . . 61 A 61 LYS middle . . 62 A 62 TRP middle . . 63 A 63 GLU middle . . 64 A 64 THR middle . . 65 A 65 THR middle . . 66 A 66 PHE middle . . 67 A 67 LYS middle . . 68 A 68 LYS middle . . 69 A 69 THR middle . . 70 A 70 SER middle . . 71 A 71 ASP middle . . 72 A 72 ASP middle . . 73 A 73 GLY middle . false 74 A 74 GLU middle . . 75 A 75 VAL middle . . 76 A 76 TYR middle . . 77 A 77 TYR middle . . 78 A 78 SER middle . . 79 A 79 GLU middle . . 80 A 80 GLU middle . . 81 A 81 ALA middle . . 82 A 82 LYS middle . . 83 A 83 LYS middle . . 84 A 84 LYS middle . . 85 A 85 VAL middle . . 86 A 86 GLU middle . . 87 A 87 VAL middle . . 88 A 88 LEU middle . . 89 A 89 ASP middle . . 90 A 90 THR middle . . 91 A 91 ASP middle . . 92 A 92 TYR middle . . 93 A 93 LYS middle . . 94 A 94 SER middle . . 95 A 95 TYR middle . . 96 A 96 ALA middle . . 97 A 97 VAL middle . . 98 A 98 ILE middle . . 99 A 99 TYR middle . . 100 A 100 ALA middle . . 101 A 101 THR middle . . 102 A 102 ARG middle . . 103 A 103 VAL middle . . 104 A 104 LYS middle . . 105 A 105 ASP middle . . 106 A 106 GLY middle . false 107 A 107 ARG middle . . 108 A 108 THR middle . . 109 A 109 LEU middle . . 110 A 110 HIS middle . . 111 A 111 MET middle . . 112 A 112 MET middle . . 113 A 113 ARG middle . . 114 A 114 LEU middle . . 115 A 115 TYR middle . . 116 A 116 SER middle . . 117 A 117 ARG middle . . 118 A 118 SER middle . . 119 A 119 PRO middle . false 120 A 120 GLU middle . . 121 A 121 VAL middle . . 122 A 122 SER middle . . 123 A 123 PRO middle . false 124 A 124 ALA middle . . 125 A 125 ALA middle . . 126 A 126 THR middle . . 127 A 127 ALA middle . . 128 A 128 ILE middle . . 129 A 129 PHE middle . . 130 A 130 ARG middle . . 131 A 131 LYS middle . . 132 A 132 LEU middle . . 133 A 133 ALA middle . . 134 A 134 GLY middle . false 135 A 135 GLU middle . . 136 A 136 ARG middle . . 137 A 137 ASN middle . . 138 A 138 TYR middle . . 139 A 139 THR middle . . 140 A 140 ASP middle . . 141 A 141 GLU middle . . 142 A 142 MET middle . . 143 A 143 VAL middle . . 144 A 144 ALA middle . . 145 A 145 MET middle . . 146 A 146 LEU middle . . 147 A 147 PRO middle . false 148 A 148 ARG middle . . 149 A 149 GLN middle . . 150 A 150 GLU middle . . 151 A 151 GLU middle . . 152 A 152 CYS middle -HG . 153 A 153 THR middle . . 154 A 154 VAL middle . . 155 A 155 ASP middle . . 156 A 156 GLU middle . . 157 A 157 VAL end . . 158 C 1 EB4 . . . 159 B 1 GA . . . 160 D 1 ACD . . . 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 4 PRO C C 13 175.8 0.3 A 4 PRO CA C 13 64.3 0.3 A 4 PRO CB C 13 33.0 0.3 A 5 ASP H H 1 8.09 0.02 A 5 ASP HA H 1 4.51 0.02 A 5 ASP C C 13 177.1 0.3 A 5 ASP CA C 13 54.8 0.3 A 5 ASP CB C 13 42.4 0.3 A 5 ASP N N 15 119.4 0.3 A 6 ARG H H 1 8.59 0.02 A 6 ARG C C 13 177.3 0.3 A 6 ARG CA C 13 59.0 0.3 A 6 ARG CB C 13 30.5 0.3 A 6 ARG N N 15 124.8 0.3 A 7 SER H H 1 8.24 0.02 A 7 SER CA C 13 62.4 0.3 A 7 SER CB C 13 63.8 0.3 A 7 SER N N 15 113.8 0.3 A 8 GLU H H 1 8.03 0.02 A 8 GLU HA H 1 4.33 0.02 A 8 GLU C C 13 177.1 0.3 A 8 GLU CA C 13 58.7 0.3 A 8 GLU CB C 13 30.9 0.3 A 8 GLU CG C 13 37.8 0.3 A 8 GLU N N 15 120.2 0.3 A 9 ILE H H 1 7.53 0.02 A 9 ILE HA H 1 4.35 0.02 A 9 ILE HB H 1 2.10 0.02 A 9 ILE HD1% H 1 0.74 0.02 A 9 ILE HG1y H 1 1.53 0.02 A 9 ILE HG1x H 1 1.44 0.02 A 9 ILE HG2% H 1 0.96 0.02 A 9 ILE C C 13 175.0 0.3 A 9 ILE CA C 13 63.4 0.3 A 9 ILE CB C 13 40.0 0.3 A 9 ILE CD1 C 13 15.7 0.3 A 9 ILE CG1 C 13 27.9 0.3 A 9 ILE CG2 C 13 19.7 0.3 A 9 ILE N N 15 112.8 0.3 A 10 ALA H H 1 7.41 0.02 A 10 ALA HA H 1 4.07 0.02 A 10 ALA HB% H 1 1.64 0.02 A 10 ALA C C 13 177.5 0.3 A 10 ALA CA C 13 54.0 0.3 A 10 ALA CB C 13 20.4 0.3 A 10 ALA N N 15 120.4 0.3 A 11 GLY H H 1 8.78 0.02 A 11 GLY HAy H 1 4.67 0.02 A 11 GLY HAx H 1 3.70 0.02 A 11 GLY C C 13 173.7 0.3 A 11 GLY CA C 13 45.3 0.3 A 11 GLY N N 15 108.3 0.3 A 12 LYS H H 1 8.74 0.02 A 12 LYS HA H 1 4.83 0.02 A 12 LYS HBy H 1 1.58 0.02 A 12 LYS HBx H 1 1.47 0.02 A 12 LYS C C 13 175.9 0.3 A 12 LYS CA C 13 58.3 0.3 A 12 LYS CB C 13 35.0 0.3 A 12 LYS CD C 13 30.5 0.3 A 12 LYS CE C 13 42.7 0.3 A 12 LYS CG C 13 26.1 0.3 A 12 LYS N N 15 122.3 0.3 A 13 TRP H H 1 9.44 0.02 A 13 TRP HA H 1 4.63 0.02 A 13 TRP HBy H 1 3.35 0.02 A 13 TRP HBx H 1 2.76 0.02 A 13 TRP HD1 H 1 7.12 0.02 A 13 TRP HE1 H 1 10.52 0.02 A 13 TRP HH2 H 1 6.51 0.02 A 13 TRP HZ2 H 1 7.17 0.02 A 13 TRP C C 13 173.3 0.3 A 13 TRP CA C 13 57.7 0.3 A 13 TRP CB C 13 35.4 0.3 A 13 TRP CD1 C 13 127.4 0.3 A 13 TRP CH2 C 13 122.5 0.3 A 13 TRP CZ2 C 13 114.5 0.3 A 13 TRP N N 15 126.0 0.3 A 13 TRP NE1 N 15 131.3 0.3 A 14 TYR H H 1 9.37 0.02 A 14 TYR HA H 1 5.05 0.02 A 14 TYR HBy H 1 2.95 0.02 A 14 TYR HBx H 1 2.81 0.02 A 14 TYR C C 13 175.4 0.3 A 14 TYR CA C 13 58.8 0.3 A 14 TYR CB C 13 41.5 0.3 A 14 TYR CD2 C 13 133.5 0.3 A 14 TYR CE2 C 13 117.8 0.3 A 14 TYR N N 15 118.3 0.3 A 15 VAL H H 1 9.00 0.02 A 15 VAL HA H 1 4.04 0.02 A 15 VAL HB H 1 1.97 0.02 A 15 VAL HG1% H 1 0.57 0.02 A 15 VAL HG2% H 1 0.56 0.02 A 15 VAL C C 13 175.5 0.3 A 15 VAL CA C 13 62.7 0.3 A 15 VAL CB C 13 32.4 0.3 A 15 VAL CG1 C 13 22.4 0.3 A 15 VAL CG2 C 13 23.2 0.3 A 15 VAL N N 15 124.2 0.3 A 16 VAL H H 1 8.42 0.02 A 16 VAL HA H 1 4.65 0.02 A 16 VAL HB H 1 2.44 0.02 A 16 VAL HG1% H 1 1.04 0.02 A 16 VAL HG2% H 1 0.70 0.02 A 16 VAL C C 13 175.9 0.3 A 16 VAL CA C 13 62.2 0.3 A 16 VAL CB C 13 33.6 0.3 A 16 VAL CG1 C 13 23.5 0.3 A 16 VAL CG2 C 13 19.8 0.3 A 16 VAL N N 15 114.6 0.3 A 17 ALA H H 1 7.59 0.02 A 17 ALA HA H 1 5.27 0.02 A 17 ALA HB% H 1 0.96 0.02 A 17 ALA C C 13 174.2 0.3 A 17 ALA CA C 13 53.1 0.3 A 17 ALA CB C 13 24.1 0.3 A 17 ALA N N 15 122.9 0.3 A 18 LEU H H 1 8.57 0.02 A 18 LEU HA H 1 5.44 0.02 A 18 LEU HBy H 1 1.77 0.02 A 18 LEU HBx H 1 1.60 0.02 A 18 LEU HD2% H 1 0.82 0.02 A 18 LEU HG H 1 1.57 0.02 A 18 LEU C C 13 176.1 0.3 A 18 LEU CA C 13 54.0 0.3 A 18 LEU CB C 13 49.8 0.3 A 18 LEU CD1 C 13 28.4 0.3 A 18 LEU CD2 C 13 24.2 0.3 A 18 LEU CG C 13 28.3 0.3 A 18 LEU N N 15 118.0 0.3 A 19 ALA H H 1 8.36 0.02 A 19 ALA HA H 1 5.43 0.02 A 19 ALA HB% H 1 0.75 0.02 A 19 ALA C C 13 174.4 0.3 A 19 ALA CA C 13 52.7 0.3 A 19 ALA CB C 13 23.1 0.3 A 19 ALA N N 15 120.3 0.3 A 20 SER H H 1 7.45 0.02 A 20 SER HA H 1 3.89 0.02 A 20 SER C C 13 170.7 0.3 A 20 SER CA C 13 57.2 0.3 A 20 SER CB C 13 64.2 0.3 A 20 SER N N 15 114.2 0.3 A 21 ASN H H 1 7.98 0.02 A 21 ASN HA H 1 5.22 0.02 A 21 ASN HBy H 1 3.49 0.02 A 21 ASN HBx H 1 3.21 0.02 A 21 ASN HD21 H 1 7.65 0.02 A 21 ASN HD22 H 1 7.01 0.02 A 21 ASN C C 13 176.5 0.3 A 21 ASN CA C 13 52.5 0.3 A 21 ASN CB C 13 40.3 0.3 A 21 ASN N N 15 117.5 0.3 A 21 ASN ND2 N 15 111.4 0.3 A 22 THR H H 1 8.14 0.02 A 22 THR HA H 1 4.42 0.02 A 22 THR HB H 1 4.73 0.02 A 22 THR HG2% H 1 1.69 0.02 A 22 THR C C 13 174.8 0.3 A 22 THR CA C 13 63.2 0.3 A 22 THR CB C 13 71.8 0.3 A 22 THR CG2 C 13 24.0 0.3 A 22 THR N N 15 112.1 0.3 A 23 GLU H H 1 8.98 0.02 A 23 GLU HA H 1 4.75 0.02 A 23 GLU C C 13 178.8 0.3 A 23 GLU CA C 13 61.3 0.3 A 23 GLU CB C 13 30.3 0.3 A 23 GLU CG C 13 37.6 0.3 A 23 GLU N N 15 122.7 0.3 A 24 PHE H H 1 8.61 0.02 A 24 PHE HA H 1 3.98 0.02 A 24 PHE HBy H 1 3.27 0.02 A 24 PHE HBx H 1 2.95 0.02 A 24 PHE C C 13 175.9 0.3 A 24 PHE CA C 13 62.9 0.3 A 24 PHE CB C 13 40.7 0.3 A 24 PHE N N 15 118.2 0.3 A 25 PHE H H 1 7.73 0.02 A 25 PHE HA H 1 3.84 0.02 A 25 PHE C C 13 176.5 0.3 A 25 PHE CA C 13 62.8 0.3 A 25 PHE CB C 13 40.4 0.3 A 25 PHE N N 15 119.0 0.3 A 26 LEU H H 1 8.38 0.02 A 26 LEU HA H 1 3.73 0.02 A 26 LEU HBy H 1 1.88 0.02 A 26 LEU HBx H 1 1.47 0.02 A 26 LEU HD1% H 1 1.10 0.02 A 26 LEU HD2% H 1 0.94 0.02 A 26 LEU C C 13 179.2 0.3 A 26 LEU CA C 13 58.7 0.3 A 26 LEU CB C 13 42.0 0.3 A 26 LEU CD1 C 13 24.1 0.3 A 26 LEU CD2 C 13 26.7 0.3 A 26 LEU N N 15 115.9 0.3 A 27 ARG H H 1 7.72 0.02 A 27 ARG HA H 1 4.11 0.02 A 27 ARG C C 13 178.4 0.3 A 27 ARG CA C 13 59.2 0.3 A 27 ARG CB C 13 32.1 0.3 A 27 ARG CD C 13 44.5 0.3 A 27 ARG CG C 13 28.5 0.3 A 27 ARG N N 15 116.9 0.3 A 28 GLU H H 1 7.66 0.02 A 28 GLU HA H 1 4.36 0.02 A 28 GLU C C 13 178.2 0.3 A 28 GLU CA C 13 56.7 0.3 A 28 GLU CB C 13 30.9 0.3 A 28 GLU CG C 13 35.6 0.3 A 28 GLU N N 15 116.0 0.3 A 29 LYS H H 1 7.91 0.02 A 29 LYS HA H 1 4.14 0.02 A 29 LYS HBy H 1 1.11 0.02 A 29 LYS HBx H 1 0.86 0.02 A 29 LYS C C 13 177.9 0.3 A 29 LYS CA C 13 59.9 0.3 A 29 LYS CB C 13 31.4 0.3 A 29 LYS CE C 13 43.0 0.3 A 29 LYS N N 15 120.7 0.3 A 30 ASP H H 1 8.39 0.02 A 30 ASP HA H 1 4.39 0.02 A 30 ASP HBy H 1 2.70 0.02 A 30 ASP HBx H 1 2.61 0.02 A 30 ASP C C 13 177.0 0.3 A 30 ASP CA C 13 57.2 0.3 A 30 ASP CB C 13 40.6 0.3 A 30 ASP N N 15 118.8 0.3 A 31 LYS H H 1 8.11 0.02 A 31 LYS HA H 1 4.39 0.02 A 31 LYS C C 13 177.2 0.3 A 31 LYS CA C 13 57.0 0.3 A 31 LYS CB C 13 34.2 0.3 A 31 LYS CD C 13 30.2 0.3 A 31 LYS CE C 13 43.1 0.3 A 31 LYS CG C 13 25.9 0.3 A 31 LYS N N 15 118.0 0.3 A 32 MET H H 1 7.24 0.02 A 32 MET HA H 1 4.52 0.02 A 32 MET HE% H 1 2.01 0.02 A 32 MET C C 13 176.2 0.3 A 32 MET CA C 13 58.0 0.3 A 32 MET CB C 13 33.5 0.3 A 32 MET CE C 13 20.8 0.3 A 32 MET CG C 13 35.5 0.3 A 32 MET N N 15 120.3 0.3 A 33 LYS H H 1 8.56 0.02 A 33 LYS HA H 1 4.70 0.02 A 33 LYS C C 13 173.0 0.3 A 33 LYS CA C 13 56.1 0.3 A 33 LYS CB C 13 39.1 0.3 A 33 LYS N N 15 120.2 0.3 A 34 MET H H 1 8.37 0.02 A 34 MET HA H 1 4.08 0.02 A 34 MET HBy H 1 2.16 0.02 A 34 MET HBx H 1 2.06 0.02 A 34 MET HE% H 1 2.22 0.02 A 34 MET HGy H 1 3.01 0.02 A 34 MET HGx H 1 2.80 0.02 A 34 MET C C 13 173.8 0.3 A 34 MET CA C 13 59.5 0.3 A 34 MET CB C 13 35.7 0.3 A 34 MET CE C 13 18.4 0.3 A 34 MET CG C 13 32.1 0.3 A 34 MET N N 15 118.3 0.3 A 35 ALA H H 1 7.36 0.02 A 35 ALA HA H 1 5.26 0.02 A 35 ALA HB% H 1 1.86 0.02 A 35 ALA C C 13 176.1 0.3 A 35 ALA CA C 13 50.6 0.3 A 35 ALA CB C 13 23.8 0.3 A 35 ALA N N 15 126.0 0.3 A 36 MET H H 1 8.92 0.02 A 36 MET HA H 1 5.28 0.02 A 36 MET HE% H 1 2.08 0.02 A 36 MET C C 13 172.6 0.3 A 36 MET CA C 13 56.1 0.3 A 36 MET CB C 13 39.6 0.3 A 36 MET CE C 13 19.0 0.3 A 36 MET CG C 13 33.4 0.3 A 36 MET N N 15 117.1 0.3 A 37 ALA H H 1 8.98 0.02 A 37 ALA HA H 1 5.43 0.02 A 37 ALA HB% H 1 1.11 0.02 A 37 ALA C C 13 175.4 0.3 A 37 ALA CA C 13 51.2 0.3 A 37 ALA CB C 13 24.4 0.3 A 37 ALA N N 15 121.7 0.3 A 38 ARG H H 1 9.18 0.02 A 38 ARG HA H 1 5.15 0.02 A 38 ARG HBy H 1 1.64 0.02 A 38 ARG HBx H 1 1.33 0.02 A 38 ARG C C 13 174.9 0.3 A 38 ARG CA C 13 55.2 0.3 A 38 ARG CB C 13 34.6 0.3 A 38 ARG CD C 13 44.3 0.3 A 38 ARG CG C 13 28.9 0.3 A 38 ARG N N 15 120.4 0.3 A 39 ILE H H 1 8.93 0.02 A 39 ILE HA H 1 4.92 0.02 A 39 ILE HB H 1 1.51 0.02 A 39 ILE HD1% H 1 0.23 0.02 A 39 ILE HG1y H 1 1.14 0.02 A 39 ILE HG1x H 1 0.64 0.02 A 39 ILE HG2% H 1 0.55 0.02 A 39 ILE C C 13 175.1 0.3 A 39 ILE CA C 13 60.2 0.3 A 39 ILE CB C 13 41.4 0.3 A 39 ILE CD1 C 13 14.9 0.3 A 39 ILE CG1 C 13 29.3 0.3 A 39 ILE CG2 C 13 18.7 0.3 A 39 ILE N N 15 126.0 0.3 A 40 SER H H 1 8.78 0.02 A 40 SER HA H 1 4.63 0.02 A 40 SER HBy H 1 3.76 0.02 A 40 SER HBx H 1 3.64 0.02 A 40 SER CA C 13 57.9 0.3 A 40 SER CB C 13 66.3 0.3 A 40 SER N N 15 121.7 0.3 A 41 PHE H H 1 9.08 0.02 A 41 PHE HA H 1 4.65 0.02 A 41 PHE HBy H 1 3.23 0.02 A 41 PHE HBx H 1 2.89 0.02 A 41 PHE C C 13 175.9 0.3 A 41 PHE CA C 13 60.1 0.3 A 41 PHE CB C 13 40.7 0.3 A 41 PHE CD2 C 13 132.1 0.3 A 41 PHE CE2 C 13 131.0 0.3 A 41 PHE N N 15 122.3 0.3 A 42 LEU H H 1 8.54 0.02 A 42 LEU HA H 1 4.63 0.02 A 42 LEU HBy H 1 1.65 0.02 A 42 LEU HBx H 1 1.46 0.02 A 42 LEU HD1% H 1 0.84 0.02 A 42 LEU HD2% H 1 0.82 0.02 A 42 LEU HG H 1 1.15 0.02 A 42 LEU C C 13 176.4 0.3 A 42 LEU CA C 13 55.5 0.3 A 42 LEU CB C 13 43.8 0.3 A 42 LEU CD1 C 13 26.9 0.3 A 42 LEU CD2 C 13 24.3 0.3 A 42 LEU CG C 13 28.5 0.3 A 42 LEU N N 15 125.1 0.3 A 43 GLY H H 1 8.31 0.02 A 43 GLY C C 13 173.7 0.3 A 43 GLY CA C 13 45.9 0.3 A 43 GLY N N 15 108.7 0.3 A 44 GLU H H 1 8.90 0.02 A 44 GLU HA H 1 4.11 0.02 A 44 GLU C C 13 177.2 0.3 A 44 GLU CA C 13 59.6 0.3 A 44 GLU CB C 13 30.8 0.3 A 44 GLU CG C 13 37.3 0.3 A 44 GLU N N 15 120.3 0.3 A 45 ASP H H 1 8.50 0.02 A 45 ASP HA H 1 4.87 0.02 A 45 ASP HBy H 1 3.01 0.02 A 45 ASP HBx H 1 2.84 0.02 A 45 ASP C C 13 174.5 0.3 A 45 ASP CA C 13 54.8 0.3 A 45 ASP CB C 13 42.7 0.3 A 45 ASP N N 15 115.2 0.3 A 46 GLU H H 1 7.45 0.02 A 46 GLU HA H 1 5.57 0.02 A 46 GLU C C 13 174.8 0.3 A 46 GLU CA C 13 56.3 0.3 A 46 GLU CB C 13 35.0 0.3 A 46 GLU CG C 13 38.1 0.3 A 46 GLU N N 15 117.8 0.3 A 47 LEU H H 1 9.16 0.02 A 47 LEU HA H 1 4.88 0.02 A 47 LEU HBy H 1 1.32 0.02 A 47 LEU HBx H 1 1.14 0.02 A 47 LEU HD1% H 1 0.20 0.02 A 47 LEU HD2% H 1 0.11 0.02 A 47 LEU HG H 1 1.27 0.02 A 47 LEU C C 13 173.9 0.3 A 47 LEU CA C 13 55.3 0.3 A 47 LEU CB C 13 46.1 0.3 A 47 LEU CD1 C 13 26.8 0.3 A 47 LEU CD2 C 13 27.5 0.3 A 47 LEU CG C 13 27.7 0.3 A 47 LEU N N 15 124.2 0.3 A 48 LYS H H 1 9.02 0.02 A 48 LYS HA H 1 4.95 0.02 A 48 LYS HBy H 1 1.65 0.02 A 48 LYS HBx H 1 1.47 0.02 A 48 LYS HGy H 1 1.22 0.02 A 48 LYS HGx H 1 1.12 0.02 A 48 LYS C C 13 174.3 0.3 A 48 LYS CA C 13 56.0 0.3 A 48 LYS CB C 13 35.8 0.3 A 48 LYS CD C 13 30.2 0.3 A 48 LYS CE C 13 42.8 0.3 A 48 LYS CG C 13 25.8 0.3 A 48 LYS N N 15 123.8 0.3 A 49 VAL H H 1 8.92 0.02 A 49 VAL HA H 1 4.61 0.02 A 49 VAL HB H 1 1.63 0.02 A 49 VAL HG1% H 1 0.52 0.02 A 49 VAL HG2% H 1 -0.09 0.02 A 49 VAL C C 13 173.8 0.3 A 49 VAL CA C 13 61.3 0.3 A 49 VAL CB C 13 35.3 0.3 A 49 VAL CG1 C 13 23.0 0.3 A 49 VAL CG2 C 13 22.5 0.3 A 49 VAL N N 15 126.6 0.3 A 50 SER H H 1 8.36 0.02 A 50 SER HA H 1 4.86 0.02 A 50 SER HBy H 1 3.90 0.02 A 50 SER HBx H 1 3.48 0.02 A 50 SER CA C 13 57.3 0.3 A 50 SER CB C 13 65.1 0.3 A 50 SER N N 15 120.9 0.3 A 51 TYR H H 1 8.99 0.02 A 51 TYR HA H 1 4.85 0.02 A 51 TYR C C 13 176.8 0.3 A 51 TYR CA C 13 58.2 0.3 A 51 TYR CB C 13 42.6 0.3 A 51 TYR CE1 C 13 117.8 0.3 A 51 TYR N N 15 122.0 0.3 A 52 ALA H H 1 8.64 0.02 A 52 ALA HA H 1 4.87 0.02 A 52 ALA HB% H 1 0.93 0.02 A 52 ALA C C 13 174.8 0.3 A 52 ALA CA C 13 53.0 0.3 A 52 ALA CB C 13 21.8 0.3 A 52 ALA N N 15 124.0 0.3 A 53 VAL H H 1 9.12 0.02 A 53 VAL HA H 1 4.77 0.02 A 53 VAL HB H 1 1.82 0.02 A 53 VAL HG1% H 1 0.74 0.02 A 53 VAL HG2% H 1 0.43 0.02 A 53 VAL C C 13 174.2 0.3 A 53 VAL CA C 13 59.3 0.3 A 53 VAL CB C 13 36.5 0.3 A 53 VAL CG1 C 13 21.4 0.3 A 53 VAL CG2 C 13 22.0 0.3 A 53 VAL N N 15 124.3 0.3 A 54 PRO HA H 1 4.70 0.02 A 54 PRO HDy H 1 3.84 0.02 A 54 PRO HDx H 1 3.74 0.02 A 54 PRO CA C 13 64.7 0.3 A 54 PRO CB C 13 32.9 0.3 A 54 PRO CD C 13 52.6 0.3 A 54 PRO CG C 13 29.7 0.3 A 55 LYS H H 1 8.04 0.02 A 55 LYS HA H 1 4.93 0.02 A 55 LYS CA C 13 54.6 0.3 A 55 LYS CB C 13 33.4 0.3 A 55 LYS N N 15 121.1 0.3 A 56 PRO HA H 1 4.28 0.02 A 56 PRO HDy H 1 3.98 0.02 A 56 PRO HDx H 1 3.95 0.02 A 56 PRO C C 13 177.2 0.3 A 56 PRO CA C 13 66.4 0.3 A 56 PRO CB C 13 32.3 0.3 A 56 PRO CD C 13 52.0 0.3 A 56 PRO CG C 13 29.4 0.3 A 57 ASN H H 1 8.37 0.02 A 57 ASN HA H 1 4.72 0.02 A 57 ASN HD21 H 1 7.59 0.02 A 57 ASN HD22 H 1 6.90 0.02 A 57 ASN C C 13 174.9 0.3 A 57 ASN CA C 13 54.0 0.3 A 57 ASN CB C 13 39.3 0.3 A 57 ASN N N 15 114.2 0.3 A 57 ASN ND2 N 15 112.6 0.3 A 58 GLY H H 1 7.81 0.02 A 58 GLY C C 13 172.0 0.3 A 58 GLY CA C 13 47.0 0.3 A 58 GLY N N 15 106.5 0.3 A 60 ARG H H 1 9.12 0.02 A 60 ARG HA H 1 4.58 0.02 A 60 ARG C C 13 174.0 0.3 A 60 ARG CA C 13 56.5 0.3 A 60 ARG CB C 13 32.4 0.3 A 60 ARG CD C 13 43.9 0.3 A 60 ARG CG C 13 28.9 0.3 A 60 ARG N N 15 132.3 0.3 A 61 LYS H H 1 8.50 0.02 A 61 LYS HA H 1 5.52 0.02 A 61 LYS HBy H 1 1.92 0.02 A 61 LYS HBx H 1 1.68 0.02 A 61 LYS C C 13 175.9 0.3 A 61 LYS CA C 13 56.1 0.3 A 61 LYS CB C 13 36.1 0.3 A 61 LYS CD C 13 30.4 0.3 A 61 LYS CE C 13 43.7 0.3 A 61 LYS CG C 13 26.5 0.3 A 61 LYS N N 15 126.2 0.3 A 62 TRP H H 1 8.07 0.02 A 62 TRP HA H 1 4.86 0.02 A 62 TRP HD1 H 1 6.73 0.02 A 62 TRP HE1 H 1 9.53 0.02 A 62 TRP HZ2 H 1 6.47 0.02 A 62 TRP C C 13 171.9 0.3 A 62 TRP CA C 13 57.7 0.3 A 62 TRP CB C 13 31.3 0.3 A 62 TRP CD1 C 13 126.7 0.3 A 62 TRP CZ2 C 13 115.5 0.3 A 62 TRP N N 15 121.9 0.3 A 62 TRP NE1 N 15 131.7 0.3 A 63 GLU H H 1 8.45 0.02 A 63 GLU HA H 1 5.61 0.02 A 63 GLU HBy H 1 1.90 0.02 A 63 GLU HBx H 1 1.85 0.02 A 63 GLU C C 13 175.5 0.3 A 63 GLU CA C 13 55.2 0.3 A 63 GLU CB C 13 35.1 0.3 A 63 GLU CG C 13 37.1 0.3 A 63 GLU N N 15 117.1 0.3 A 64 THR H H 1 8.98 0.02 A 64 THR HA H 1 4.60 0.02 A 64 THR HB H 1 3.94 0.02 A 64 THR HG2% H 1 0.66 0.02 A 64 THR C C 13 171.8 0.3 A 64 THR CA C 13 63.0 0.3 A 64 THR CB C 13 72.7 0.3 A 64 THR CG2 C 13 23.4 0.3 A 64 THR N N 15 117.4 0.3 A 65 THR H H 1 8.38 0.02 A 65 THR HA H 1 5.26 0.02 A 65 THR HB H 1 4.00 0.02 A 65 THR HG2% H 1 1.15 0.02 A 65 THR C C 13 173.7 0.3 A 65 THR CA C 13 62.3 0.3 A 65 THR CB C 13 71.1 0.3 A 65 THR CG2 C 13 22.8 0.3 A 65 THR N N 15 119.1 0.3 A 66 PHE H H 1 9.59 0.02 A 66 PHE HA H 1 4.83 0.02 A 66 PHE HBy H 1 3.04 0.02 A 66 PHE HBx H 1 2.74 0.02 A 66 PHE C C 13 174.2 0.3 A 66 PHE CA C 13 58.1 0.3 A 66 PHE CB C 13 45.6 0.3 A 66 PHE CD2 C 13 132.0 0.3 A 66 PHE N N 15 123.4 0.3 A 67 LYS H H 1 8.88 0.02 A 67 LYS HA H 1 5.52 0.02 A 67 LYS HBy H 1 2.08 0.02 A 67 LYS HBx H 1 1.90 0.02 A 67 LYS C C 13 176.5 0.3 A 67 LYS CA C 13 55.5 0.3 A 67 LYS CB C 13 37.3 0.3 A 67 LYS CD C 13 30.4 0.3 A 67 LYS CE C 13 43.2 0.3 A 67 LYS CG C 13 26.1 0.3 A 67 LYS N N 15 119.7 0.3 A 68 LYS H H 1 8.85 0.02 A 68 LYS HA H 1 4.88 0.02 A 68 LYS HBy H 1 1.79 0.02 A 68 LYS HBx H 1 1.63 0.02 A 68 LYS C C 13 177.4 0.3 A 68 LYS CA C 13 58.7 0.3 A 68 LYS CB C 13 35.3 0.3 A 68 LYS CD C 13 29.9 0.3 A 68 LYS CE C 13 44.5 0.3 A 68 LYS CG C 13 26.0 0.3 A 68 LYS N N 15 129.1 0.3 A 69 THR H H 1 8.72 0.02 A 69 THR HA H 1 4.71 0.02 A 69 THR HB H 1 3.84 0.02 A 69 THR HG2% H 1 1.21 0.02 A 69 THR C C 13 174.6 0.3 A 69 THR CA C 13 61.9 0.3 A 69 THR CB C 13 70.8 0.3 A 69 THR CG2 C 13 23.9 0.3 A 69 THR N N 15 118.5 0.3 A 70 SER H H 1 8.35 0.02 A 70 SER HA H 1 4.42 0.02 A 70 SER HBy H 1 4.03 0.02 A 70 SER HBx H 1 3.87 0.02 A 70 SER C C 13 174.5 0.3 A 70 SER CA C 13 59.3 0.3 A 70 SER CB C 13 64.4 0.3 A 70 SER N N 15 111.8 0.3 A 71 ASP H H 1 7.96 0.02 A 71 ASP HA H 1 4.38 0.02 A 71 ASP HBy H 1 2.70 0.02 A 71 ASP HBx H 1 2.11 0.02 A 71 ASP C C 13 175.6 0.3 A 71 ASP CA C 13 56.1 0.3 A 71 ASP CB C 13 43.0 0.3 A 71 ASP N N 15 121.1 0.3 A 72 ASP H H 1 8.50 0.02 A 72 ASP HA H 1 4.45 0.02 A 72 ASP HBy H 1 2.63 0.02 A 72 ASP HBx H 1 2.54 0.02 A 72 ASP C C 13 175.9 0.3 A 72 ASP CA C 13 56.1 0.3 A 72 ASP CB C 13 42.1 0.3 A 72 ASP N N 15 121.0 0.3 A 73 GLY H H 1 8.20 0.02 A 73 GLY HAy H 1 4.04 0.02 A 73 GLY HAx H 1 3.78 0.02 A 73 GLY C C 13 172.8 0.3 A 73 GLY CA C 13 45.5 0.3 A 73 GLY N N 15 109.1 0.3 A 74 GLU H H 1 8.78 0.02 A 74 GLU HA H 1 4.77 0.02 A 74 GLU C C 13 173.6 0.3 A 74 GLU CA C 13 55.4 0.3 A 74 GLU CB C 13 30.6 0.3 A 74 GLU CG C 13 35.0 0.3 A 74 GLU N N 15 123.3 0.3 A 75 VAL H H 1 7.87 0.02 A 75 VAL HA H 1 5.04 0.02 A 75 VAL HB H 1 2.03 0.02 A 75 VAL HG1% H 1 0.96 0.02 A 75 VAL HG2% H 1 0.86 0.02 A 75 VAL C C 13 174.1 0.3 A 75 VAL CA C 13 62.5 0.3 A 75 VAL CB C 13 34.0 0.3 A 75 VAL CG1 C 13 23.4 0.3 A 75 VAL CG2 C 13 21.8 0.3 A 75 VAL N N 15 123.5 0.3 A 76 TYR H H 1 9.36 0.02 A 76 TYR HA H 1 5.24 0.02 A 76 TYR HBy H 1 2.76 0.02 A 76 TYR HBx H 1 2.54 0.02 A 76 TYR C C 13 174.3 0.3 A 76 TYR CA C 13 57.8 0.3 A 76 TYR CB C 13 43.7 0.3 A 76 TYR N N 15 125.0 0.3 A 77 TYR H H 1 9.48 0.02 A 77 TYR HA H 1 5.88 0.02 A 77 TYR C C 13 174.6 0.3 A 77 TYR CA C 13 58.0 0.3 A 77 TYR CB C 13 44.6 0.3 A 77 TYR N N 15 120.5 0.3 A 78 SER H H 1 8.57 0.02 A 78 SER HA H 1 4.83 0.02 A 78 SER C C 13 174.3 0.3 A 78 SER CA C 13 55.6 0.3 A 78 SER CB C 13 64.4 0.3 A 78 SER N N 15 125.1 0.3 A 79 GLU H H 1 8.67 0.02 A 79 GLU HA H 1 3.98 0.02 A 79 GLU HBy H 1 2.11 0.02 A 79 GLU HBx H 1 2.03 0.02 A 79 GLU HGy H 1 2.42 0.02 A 79 GLU HGx H 1 2.35 0.02 A 79 GLU C C 13 178.6 0.3 A 79 GLU CA C 13 60.1 0.3 A 79 GLU CB C 13 30.5 0.3 A 79 GLU CG C 13 36.7 0.3 A 79 GLU N N 15 130.0 0.3 A 80 GLU H H 1 8.56 0.02 A 80 GLU HA H 1 4.00 0.02 A 80 GLU C C 13 177.7 0.3 A 80 GLU CA C 13 60.0 0.3 A 80 GLU CB C 13 30.5 0.3 A 80 GLU CG C 13 37.2 0.3 A 80 GLU N N 15 118.9 0.3 A 81 ALA H H 1 7.41 0.02 A 81 ALA HA H 1 4.39 0.02 A 81 ALA HB% H 1 1.40 0.02 A 81 ALA C C 13 176.0 0.3 A 81 ALA CA C 13 52.4 0.3 A 81 ALA CB C 13 20.6 0.3 A 81 ALA N N 15 117.6 0.3 A 82 LYS H H 1 7.83 0.02 A 82 LYS HA H 1 3.87 0.02 A 82 LYS C C 13 175.1 0.3 A 82 LYS CA C 13 57.2 0.3 A 82 LYS CB C 13 30.3 0.3 A 82 LYS CE C 13 43.6 0.3 A 82 LYS N N 15 118.3 0.3 A 83 LYS H H 1 7.15 0.02 A 83 LYS HA H 1 5.44 0.02 A 83 LYS HBy H 1 1.76 0.02 A 83 LYS HBx H 1 1.59 0.02 A 83 LYS C C 13 172.4 0.3 A 83 LYS CA C 13 55.5 0.3 A 83 LYS CB C 13 40.1 0.3 A 83 LYS N N 15 118.4 0.3 A 84 LYS H H 1 9.54 0.02 A 84 LYS HA H 1 5.68 0.02 A 84 LYS C C 13 174.9 0.3 A 84 LYS CA C 13 55.7 0.3 A 84 LYS CB C 13 38.0 0.3 A 84 LYS CD C 13 30.7 0.3 A 84 LYS CE C 13 43.2 0.3 A 84 LYS CG C 13 26.6 0.3 A 84 LYS N N 15 130.0 0.3 A 85 VAL H H 1 9.51 0.02 A 85 VAL HA H 1 4.98 0.02 A 85 VAL HB H 1 1.68 0.02 A 85 VAL HG1% H 1 0.73 0.02 A 85 VAL HG2% H 1 0.52 0.02 A 85 VAL C C 13 173.0 0.3 A 85 VAL CA C 13 61.4 0.3 A 85 VAL CB C 13 36.7 0.3 A 85 VAL CG1 C 13 22.7 0.3 A 85 VAL CG2 C 13 21.1 0.3 A 85 VAL N N 15 121.1 0.3 A 86 GLU H H 1 8.83 0.02 A 86 GLU HA H 1 5.32 0.02 A 86 GLU HBy H 1 2.21 0.02 A 86 GLU HBx H 1 2.13 0.02 A 86 GLU C C 13 175.8 0.3 A 86 GLU CA C 13 54.7 0.3 A 86 GLU CB C 13 34.2 0.3 A 86 GLU CG C 13 37.4 0.3 A 86 GLU N N 15 123.7 0.3 A 87 VAL H H 1 8.76 0.02 A 87 VAL HA H 1 4.17 0.02 A 87 VAL HB H 1 2.24 0.02 A 87 VAL HG1% H 1 0.73 0.02 A 87 VAL HG2% H 1 0.59 0.02 A 87 VAL C C 13 176.0 0.3 A 87 VAL CA C 13 63.5 0.3 A 87 VAL CB C 13 32.0 0.3 A 87 VAL CG1 C 13 21.5 0.3 A 87 VAL CG2 C 13 22.1 0.3 A 87 VAL N N 15 125.4 0.3 A 88 LEU H H 1 8.99 0.02 A 88 LEU HA H 1 4.39 0.02 A 88 LEU HD1% H 1 0.81 0.02 A 88 LEU HD2% H 1 0.73 0.02 A 88 LEU C C 13 177.2 0.3 A 88 LEU CA C 13 57.0 0.3 A 88 LEU CB C 13 44.2 0.3 A 88 LEU CD1 C 13 27.2 0.3 A 88 LEU CD2 C 13 22.4 0.3 A 88 LEU N N 15 128.0 0.3 A 89 ASP H H 1 7.14 0.02 A 89 ASP HA H 1 4.78 0.02 A 89 ASP HBy H 1 2.82 0.02 A 89 ASP HBx H 1 2.20 0.02 A 89 ASP C C 13 173.9 0.3 A 89 ASP CA C 13 55.9 0.3 A 89 ASP CB C 13 46.6 0.3 A 89 ASP N N 15 113.9 0.3 A 90 THR H H 1 8.07 0.02 A 90 THR HA H 1 3.80 0.02 A 90 THR HB H 1 3.94 0.02 A 90 THR HG2% H 1 0.04 0.02 A 90 THR C C 13 169.8 0.3 A 90 THR CA C 13 61.5 0.3 A 90 THR CB C 13 69.2 0.3 A 90 THR CG2 C 13 17.0 0.3 A 90 THR N N 15 119.5 0.3 A 91 ASP H H 1 6.79 0.02 A 91 ASP HA H 1 4.85 0.02 A 91 ASP HBy H 1 3.27 0.02 A 91 ASP HBx H 1 2.80 0.02 A 91 ASP C C 13 176.8 0.3 A 91 ASP CA C 13 53.9 0.3 A 91 ASP CB C 13 41.9 0.3 A 91 ASP N N 15 122.4 0.3 A 92 TYR H H 1 9.42 0.02 A 92 TYR HA H 1 3.51 0.02 A 92 TYR C C 13 173.9 0.3 A 92 TYR CA C 13 62.3 0.3 A 92 TYR CB C 13 36.6 0.3 A 92 TYR CD2 C 13 133.0 0.3 A 92 TYR CE2 C 13 118.6 0.3 A 92 TYR N N 15 115.1 0.3 A 93 LYS H H 1 8.08 0.02 A 93 LYS HA H 1 4.67 0.02 A 93 LYS C C 13 175.6 0.3 A 93 LYS CA C 13 59.5 0.3 A 93 LYS CB C 13 37.8 0.3 A 93 LYS N N 15 112.3 0.3 A 94 SER H H 1 11.42 0.02 A 94 SER HA H 1 4.82 0.02 A 94 SER HBy H 1 4.28 0.02 A 94 SER HBx H 1 3.89 0.02 A 94 SER CA C 13 61.2 0.3 A 94 SER CB C 13 68.8 0.3 A 94 SER N N 15 120.3 0.3 A 95 TYR H H 1 8.49 0.02 A 95 TYR HA H 1 6.15 0.02 A 95 TYR HBy H 1 3.29 0.02 A 95 TYR HBx H 1 3.16 0.02 A 95 TYR C C 13 173.5 0.3 A 95 TYR CA C 13 58.6 0.3 A 95 TYR CB C 13 42.6 0.3 A 95 TYR N N 15 122.7 0.3 A 96 ALA H H 1 9.01 0.02 A 96 ALA HA H 1 4.55 0.02 A 96 ALA HB% H 1 0.88 0.02 A 96 ALA C C 13 174.7 0.3 A 96 ALA CA C 13 53.5 0.3 A 96 ALA CB C 13 23.7 0.3 A 96 ALA N N 15 120.9 0.3 A 97 VAL H H 1 9.31 0.02 A 97 VAL HA H 1 5.02 0.02 A 97 VAL HB H 1 2.15 0.02 A 97 VAL HG1% H 1 1.30 0.02 A 97 VAL HG2% H 1 1.19 0.02 A 97 VAL C C 13 174.3 0.3 A 97 VAL CA C 13 63.2 0.3 A 97 VAL CB C 13 33.6 0.3 A 97 VAL CG1 C 13 22.4 0.3 A 97 VAL CG2 C 13 23.9 0.3 A 97 VAL N N 15 121.7 0.3 A 98 ILE H H 1 9.55 0.02 A 98 ILE HA H 1 5.05 0.02 A 98 ILE HB H 1 1.98 0.02 A 98 ILE HD1% H 1 0.62 0.02 A 98 ILE HG2% H 1 0.91 0.02 A 98 ILE C C 13 174.0 0.3 A 98 ILE CA C 13 59.2 0.3 A 98 ILE CB C 13 42.7 0.3 A 98 ILE CD1 C 13 15.0 0.3 A 98 ILE CG1 C 13 31.0 0.3 A 98 ILE CG2 C 13 19.9 0.3 A 98 ILE N N 15 129.6 0.3 A 99 TYR H H 1 9.55 0.02 A 99 TYR HA H 1 5.26 0.02 A 99 TYR HBy H 1 3.16 0.02 A 99 TYR HBx H 1 2.79 0.02 A 99 TYR HD1 H 1 7.17 0.02 A 99 TYR C C 13 173.7 0.3 A 99 TYR CA C 13 57.7 0.3 A 99 TYR CB C 13 42.2 0.3 A 99 TYR CD1 C 13 133.0 0.3 A 99 TYR CE1 C 13 117.7 0.3 A 99 TYR N N 15 128.1 0.3 A 100 ALA H H 1 9.61 0.02 A 100 ALA HA H 1 5.72 0.02 A 100 ALA HB% H 1 1.50 0.02 A 100 ALA C C 13 175.5 0.3 A 100 ALA CA C 13 51.4 0.3 A 100 ALA CB C 13 24.9 0.3 A 100 ALA N N 15 134.4 0.3 A 101 THR H H 1 9.43 0.02 A 101 THR HA H 1 5.45 0.02 A 101 THR HB H 1 4.03 0.02 A 101 THR HG2% H 1 1.10 0.02 A 101 THR C C 13 173.6 0.3 A 101 THR CA C 13 62.0 0.3 A 101 THR CB C 13 73.1 0.3 A 101 THR CG2 C 13 22.5 0.3 A 101 THR N N 15 116.2 0.3 A 102 ARG H H 1 8.97 0.02 A 102 ARG HA H 1 5.21 0.02 A 102 ARG C C 13 173.9 0.3 A 102 ARG CA C 13 55.5 0.3 A 102 ARG CB C 13 36.1 0.3 A 102 ARG CD C 13 44.8 0.3 A 102 ARG CG C 13 27.6 0.3 A 102 ARG N N 15 125.7 0.3 A 103 VAL H H 1 7.87 0.02 A 103 VAL HA H 1 4.77 0.02 A 103 VAL HB H 1 1.90 0.02 A 103 VAL HG1% H 1 0.92 0.02 A 103 VAL HG2% H 1 0.71 0.02 A 103 VAL C C 13 175.7 0.3 A 103 VAL CA C 13 62.4 0.3 A 103 VAL CB C 13 33.4 0.3 A 103 VAL CG1 C 13 22.1 0.3 A 103 VAL CG2 C 13 21.7 0.3 A 103 VAL N N 15 122.1 0.3 A 104 LYS H H 1 8.98 0.02 A 104 LYS HA H 1 4.46 0.02 A 104 LYS C C 13 175.4 0.3 A 104 LYS CA C 13 56.0 0.3 A 104 LYS CB C 13 36.4 0.3 A 104 LYS N N 15 130.1 0.3 A 106 GLY H H 1 8.33 0.02 A 106 GLY HAy H 1 4.08 0.02 A 106 GLY HAx H 1 3.52 0.02 A 106 GLY CA C 13 46.4 0.3 A 106 GLY N N 15 103.0 0.3 A 107 ARG H H 1 7.88 0.02 A 107 ARG HA H 1 4.67 0.02 A 107 ARG C C 13 174.5 0.3 A 107 ARG CA C 13 55.4 0.3 A 107 ARG CB C 13 33.2 0.3 A 107 ARG CD C 13 44.3 0.3 A 107 ARG CG C 13 28.0 0.3 A 107 ARG N N 15 121.3 0.3 A 108 THR H H 1 8.65 0.02 A 108 THR HA H 1 4.49 0.02 A 108 THR HB H 1 3.94 0.02 A 108 THR HG2% H 1 0.89 0.02 A 108 THR C C 13 173.4 0.3 A 108 THR CA C 13 64.1 0.3 A 108 THR CB C 13 69.8 0.3 A 108 THR CG2 C 13 23.1 0.3 A 108 THR N N 15 118.8 0.3 A 109 LEU H H 1 9.22 0.02 A 109 LEU HA H 1 4.73 0.02 A 109 LEU HBy H 1 1.75 0.02 A 109 LEU HBx H 1 1.61 0.02 A 109 LEU HD1% H 1 0.87 0.02 A 109 LEU HD2% H 1 0.58 0.02 A 109 LEU HG H 1 1.53 0.02 A 109 LEU C C 13 175.7 0.3 A 109 LEU CA C 13 54.3 0.3 A 109 LEU CB C 13 46.5 0.3 A 109 LEU CD1 C 13 23.9 0.3 A 109 LEU CD2 C 13 26.4 0.3 A 109 LEU CG C 13 27.9 0.3 A 109 LEU N N 15 128.9 0.3 A 110 HIS H H 1 8.49 0.02 A 110 HIS HA H 1 6.04 0.02 A 110 HIS HBy H 1 3.07 0.02 A 110 HIS HBx H 1 2.95 0.02 A 110 HIS C C 13 175.3 0.3 A 110 HIS CA C 13 55.3 0.3 A 110 HIS CB C 13 34.5 0.3 A 110 HIS N N 15 116.2 0.3 A 111 MET H H 1 9.09 0.02 A 111 MET HA H 1 4.55 0.02 A 111 MET HBy H 1 1.46 0.02 A 111 MET HBx H 1 1.12 0.02 A 111 MET HE% H 1 1.23 0.02 A 111 MET C C 13 174.0 0.3 A 111 MET CA C 13 56.6 0.3 A 111 MET CB C 13 37.8 0.3 A 111 MET CE C 13 15.5 0.3 A 111 MET CG C 13 30.3 0.3 A 111 MET N N 15 123.4 0.3 A 112 MET H H 1 9.12 0.02 A 112 MET HA H 1 5.67 0.02 A 112 MET HE% H 1 1.58 0.02 A 112 MET C C 13 175.4 0.3 A 112 MET CA C 13 55.1 0.3 A 112 MET CB C 13 37.2 0.3 A 112 MET CE C 13 17.5 0.3 A 112 MET CG C 13 34.5 0.3 A 112 MET N N 15 122.9 0.3 A 113 ARG H H 1 9.39 0.02 A 113 ARG HA H 1 5.05 0.02 A 113 ARG HBy H 1 1.60 0.02 A 113 ARG HBx H 1 1.21 0.02 A 113 ARG C C 13 173.8 0.3 A 113 ARG CA C 13 56.0 0.3 A 113 ARG CB C 13 38.6 0.3 A 113 ARG CD C 13 43.9 0.3 A 113 ARG CG C 13 30.4 0.3 A 113 ARG N N 15 119.5 0.3 A 114 LEU H H 1 8.02 0.02 A 114 LEU HA H 1 5.03 0.02 A 114 LEU HD1% H 1 1.02 0.02 A 114 LEU HD2% H 1 0.49 0.02 A 114 LEU C C 13 174.2 0.3 A 114 LEU CA C 13 54.1 0.3 A 114 LEU CB C 13 43.9 0.3 A 114 LEU CD1 C 13 24.0 0.3 A 114 LEU CD2 C 13 26.7 0.3 A 114 LEU N N 15 124.4 0.3 A 115 TYR H H 1 9.54 0.02 A 115 TYR HA H 1 5.80 0.02 A 115 TYR HBy H 1 2.90 0.02 A 115 TYR HBx H 1 2.71 0.02 A 115 TYR C C 13 176.5 0.3 A 115 TYR CA C 13 58.0 0.3 A 115 TYR CB C 13 42.9 0.3 A 115 TYR N N 15 126.0 0.3 A 116 SER H H 1 9.93 0.02 A 116 SER HA H 1 5.84 0.02 A 116 SER HBy H 1 3.96 0.02 A 116 SER HBx H 1 3.69 0.02 A 116 SER C C 13 175.4 0.3 A 116 SER CA C 13 56.6 0.3 A 116 SER CB C 13 67.7 0.3 A 116 SER N N 15 113.2 0.3 A 117 ARG H H 1 8.35 0.02 A 117 ARG HA H 1 3.68 0.02 A 117 ARG HBy H 1 1.87 0.02 A 117 ARG HBx H 1 1.43 0.02 A 117 ARG C C 13 175.4 0.3 A 117 ARG CA C 13 58.3 0.3 A 117 ARG CB C 13 32.5 0.3 A 117 ARG CD C 13 43.4 0.3 A 117 ARG CG C 13 26.9 0.3 A 117 ARG N N 15 130.5 0.3 A 118 SER H H 1 7.98 0.02 A 118 SER HA H 1 4.99 0.02 A 118 SER HBy H 1 3.96 0.02 A 118 SER HBx H 1 3.68 0.02 A 118 SER C C 13 173.4 0.3 A 118 SER CA C 13 54.8 0.3 A 118 SER CB C 13 65.8 0.3 A 118 SER N N 15 111.3 0.3 A 119 PRO HA H 1 3.97 0.02 A 119 PRO HBy H 1 1.40 0.02 A 119 PRO HBx H 1 1.20 0.02 A 119 PRO HDy H 1 3.65 0.02 A 119 PRO HDx H 1 3.08 0.02 A 119 PRO HGy H 1 1.60 0.02 A 119 PRO HGx H 1 1.15 0.02 A 119 PRO C C 13 175.5 0.3 A 119 PRO CA C 13 65.1 0.3 A 119 PRO CB C 13 32.2 0.3 A 119 PRO CD C 13 51.1 0.3 A 119 PRO CG C 13 27.1 0.3 A 120 GLU H H 1 7.41 0.02 A 120 GLU HA H 1 4.26 0.02 A 120 GLU HBy H 1 1.83 0.02 A 120 GLU HBx H 1 1.77 0.02 A 120 GLU HGy H 1 2.33 0.02 A 120 GLU HGx H 1 2.25 0.02 A 120 GLU C C 13 174.5 0.3 A 120 GLU CA C 13 55.8 0.3 A 120 GLU CB C 13 29.7 0.3 A 120 GLU CG C 13 37.1 0.3 A 120 GLU N N 15 117.5 0.3 A 121 VAL H H 1 7.90 0.02 A 121 VAL HA H 1 4.14 0.02 A 121 VAL HB H 1 1.85 0.02 A 121 VAL HG1% H 1 1.11 0.02 A 121 VAL HG2% H 1 0.78 0.02 A 121 VAL C C 13 174.4 0.3 A 121 VAL CA C 13 61.7 0.3 A 121 VAL CB C 13 34.1 0.3 A 121 VAL CG1 C 13 23.5 0.3 A 121 VAL CG2 C 13 20.3 0.3 A 121 VAL N N 15 124.9 0.3 A 122 SER H H 1 8.68 0.02 A 122 SER HA H 1 4.75 0.02 A 122 SER HBy H 1 4.26 0.02 A 122 SER HBx H 1 3.96 0.02 A 122 SER CA C 13 57.3 0.3 A 122 SER CB C 13 64.5 0.3 A 122 SER N N 15 124.5 0.3 A 123 PRO C C 13 175.6 0.3 A 123 PRO CA C 13 65.9 0.3 A 124 ALA H H 1 8.03 0.02 A 124 ALA HA H 1 4.07 0.02 A 124 ALA HB% H 1 1.31 0.02 A 124 ALA C C 13 179.9 0.3 A 124 ALA CA C 13 55.8 0.3 A 124 ALA CB C 13 19.1 0.3 A 124 ALA N N 15 120.1 0.3 A 125 ALA H H 1 7.51 0.02 A 125 ALA HA H 1 3.43 0.02 A 125 ALA HB% H 1 1.14 0.02 A 125 ALA C C 13 179.2 0.3 A 125 ALA CA C 13 55.6 0.3 A 125 ALA CB C 13 19.2 0.3 A 125 ALA N N 15 121.1 0.3 A 126 THR H H 1 7.82 0.02 A 126 THR HA H 1 4.15 0.02 A 126 THR HB H 1 3.58 0.02 A 126 THR HG2% H 1 1.14 0.02 A 126 THR C C 13 176.1 0.3 A 126 THR CA C 13 68.9 0.3 A 126 THR CB C 13 67.7 0.3 A 126 THR CG2 C 13 23.9 0.3 A 126 THR N N 15 113.2 0.3 A 127 ALA H H 1 7.90 0.02 A 127 ALA HA H 1 4.08 0.02 A 127 ALA HB% H 1 1.44 0.02 A 127 ALA C C 13 181.1 0.3 A 127 ALA CA C 13 56.2 0.3 A 127 ALA CB C 13 18.7 0.3 A 127 ALA N N 15 123.1 0.3 A 128 ILE H H 1 7.64 0.02 A 128 ILE HA H 1 3.74 0.02 A 128 ILE HB H 1 1.70 0.02 A 128 ILE HD1% H 1 0.70 0.02 A 128 ILE HG1y H 1 1.59 0.02 A 128 ILE HG1x H 1 1.09 0.02 A 128 ILE HG2% H 1 0.99 0.02 A 128 ILE C C 13 177.3 0.3 A 128 ILE CA C 13 65.6 0.3 A 128 ILE CB C 13 39.4 0.3 A 128 ILE CD1 C 13 14.3 0.3 A 128 ILE CG1 C 13 30.5 0.3 A 128 ILE CG2 C 13 18.7 0.3 A 128 ILE N N 15 120.9 0.3 A 129 PHE H H 1 8.25 0.02 A 129 PHE HA H 1 4.01 0.02 A 129 PHE C C 13 176.1 0.3 A 129 PHE CA C 13 63.3 0.3 A 129 PHE CB C 13 40.9 0.3 A 129 PHE N N 15 120.3 0.3 A 130 ARG H H 1 8.65 0.02 A 130 ARG HA H 1 3.56 0.02 A 130 ARG HBy H 1 1.94 0.02 A 130 ARG HBx H 1 1.84 0.02 A 130 ARG C C 13 179.4 0.3 A 130 ARG CA C 13 61.1 0.3 A 130 ARG CB C 13 30.6 0.3 A 130 ARG CD C 13 43.9 0.3 A 130 ARG CG C 13 30.4 0.3 A 130 ARG N N 15 116.3 0.3 A 131 LYS H H 1 8.02 0.02 A 131 LYS HA H 1 4.03 0.02 A 131 LYS C C 13 179.3 0.3 A 131 LYS CA C 13 60.5 0.3 A 131 LYS CB C 13 33.2 0.3 A 131 LYS CD C 13 30.5 0.3 A 131 LYS CE C 13 43.2 0.3 A 131 LYS CG C 13 25.7 0.3 A 131 LYS N N 15 122.2 0.3 A 132 LEU H H 1 8.45 0.02 A 132 LEU HA H 1 3.93 0.02 A 132 LEU HD1% H 1 1.16 0.02 A 132 LEU HD2% H 1 0.87 0.02 A 132 LEU C C 13 179.6 0.3 A 132 LEU CA C 13 58.6 0.3 A 132 LEU CB C 13 42.5 0.3 A 132 LEU CD1 C 13 28.5 0.3 A 132 LEU CD2 C 13 23.5 0.3 A 132 LEU N N 15 120.3 0.3 A 133 ALA H H 1 8.75 0.02 A 133 ALA HA H 1 3.97 0.02 A 133 ALA HB% H 1 0.87 0.02 A 133 ALA C C 13 180.4 0.3 A 133 ALA CA C 13 56.0 0.3 A 133 ALA CB C 13 16.9 0.3 A 133 ALA N N 15 122.4 0.3 A 134 GLY H H 1 8.13 0.02 A 134 GLY C C 13 178.2 0.3 A 134 GLY CA C 13 48.1 0.3 A 134 GLY N N 15 107.4 0.3 A 135 GLU H H 1 7.73 0.02 A 135 GLU HA H 1 4.05 0.02 A 135 GLU C C 13 177.4 0.3 A 135 GLU CA C 13 59.3 0.3 A 135 GLU CB C 13 30.4 0.3 A 135 GLU CG C 13 37.6 0.3 A 135 GLU N N 15 121.9 0.3 A 136 ARG H H 1 7.13 0.02 A 136 ARG HA H 1 4.15 0.02 A 136 ARG C C 13 173.5 0.3 A 136 ARG CA C 13 55.8 0.3 A 136 ARG CB C 13 28.9 0.3 A 136 ARG CD C 13 43.9 0.3 A 136 ARG CG C 13 29.4 0.3 A 136 ARG N N 15 118.0 0.3 A 137 ASN H H 1 7.56 0.02 A 137 ASN HA H 1 4.15 0.02 A 137 ASN HBy H 1 2.88 0.02 A 137 ASN HBx H 1 2.81 0.02 A 137 ASN HD21 H 1 7.34 0.02 A 137 ASN HD22 H 1 6.77 0.02 A 137 ASN C C 13 174.2 0.3 A 137 ASN CA C 13 56.0 0.3 A 137 ASN CB C 13 37.2 0.3 A 137 ASN N N 15 109.6 0.3 A 137 ASN ND2 N 15 112.6 0.3 A 138 TYR H H 1 8.02 0.02 A 138 TYR HA H 1 5.29 0.02 A 138 TYR C C 13 175.9 0.3 A 138 TYR CA C 13 57.7 0.3 A 138 TYR CB C 13 37.6 0.3 A 138 TYR CD1 C 13 132.8 0.3 A 138 TYR CE1 C 13 117.3 0.3 A 138 TYR N N 15 118.6 0.3 A 139 THR H H 1 7.74 0.02 A 139 THR HA H 1 4.42 0.02 A 139 THR HB H 1 4.70 0.02 A 139 THR HG2% H 1 1.25 0.02 A 139 THR C C 13 175.5 0.3 A 139 THR CA C 13 61.4 0.3 A 139 THR CB C 13 71.4 0.3 A 139 THR CG2 C 13 23.1 0.3 A 139 THR N N 15 115.0 0.3 A 140 ASP H H 1 8.63 0.02 A 140 ASP HA H 1 4.26 0.02 A 140 ASP C C 13 178.4 0.3 A 140 ASP CA C 13 59.0 0.3 A 140 ASP CB C 13 41.8 0.3 A 140 ASP N N 15 117.9 0.3 A 141 GLU H H 1 8.50 0.02 A 141 GLU HA H 1 4.27 0.02 A 141 GLU HBy H 1 2.11 0.02 A 141 GLU HBx H 1 2.03 0.02 A 141 GLU C C 13 176.2 0.3 A 141 GLU CA C 13 59.1 0.3 A 141 GLU CB C 13 30.1 0.3 A 141 GLU CG C 13 37.6 0.3 A 141 GLU N N 15 116.8 0.3 A 142 MET H H 1 7.96 0.02 A 142 MET HA H 1 4.49 0.02 A 142 MET HE% H 1 2.36 0.02 A 142 MET HGy H 1 2.85 0.02 A 142 MET HGx H 1 2.71 0.02 A 142 MET C C 13 172.9 0.3 A 142 MET CA C 13 57.1 0.3 A 142 MET CB C 13 33.4 0.3 A 142 MET CE C 13 19.9 0.3 A 142 MET CG C 13 35.3 0.3 A 142 MET N N 15 117.4 0.3 A 143 VAL H H 1 7.12 0.02 A 143 VAL HA H 1 4.79 0.02 A 143 VAL HB H 1 2.11 0.02 A 143 VAL HG1% H 1 0.92 0.02 A 143 VAL HG2% H 1 0.80 0.02 A 143 VAL C C 13 175.6 0.3 A 143 VAL CA C 13 62.2 0.3 A 143 VAL CB C 13 34.5 0.3 A 143 VAL CG1 C 13 22.6 0.3 A 143 VAL CG2 C 13 21.8 0.3 A 143 VAL N N 15 116.8 0.3 A 144 ALA H H 1 9.60 0.02 A 144 ALA HA H 1 4.81 0.02 A 144 ALA HB% H 1 1.29 0.02 A 144 ALA C C 13 175.8 0.3 A 144 ALA CA C 13 51.5 0.3 A 144 ALA CB C 13 22.6 0.3 A 144 ALA N N 15 131.0 0.3 A 145 MET H H 1 8.63 0.02 A 145 MET HA H 1 4.89 0.02 A 145 MET HE% H 1 1.90 0.02 A 145 MET HGy H 1 2.80 0.02 A 145 MET HGx H 1 2.46 0.02 A 145 MET C C 13 176.9 0.3 A 145 MET CA C 13 54.0 0.3 A 145 MET CB C 13 30.1 0.3 A 145 MET CE C 13 16.9 0.3 A 145 MET CG C 13 32.4 0.3 A 145 MET N N 15 122.4 0.3 A 146 LEU H H 1 7.88 0.02 A 146 LEU HA H 1 4.54 0.02 A 146 LEU HBy H 1 1.67 0.02 A 146 LEU HBx H 1 1.02 0.02 A 146 LEU HD1% H 1 0.84 0.02 A 146 LEU HD2% H 1 0.55 0.02 A 146 LEU HG H 1 1.40 0.02 A 146 LEU C C 13 174.5 0.3 A 146 LEU CA C 13 53.9 0.3 A 146 LEU CB C 13 42.8 0.3 A 146 LEU CD1 C 13 25.6 0.3 A 146 LEU CD2 C 13 23.5 0.3 A 146 LEU CG C 13 27.4 0.3 A 146 LEU N N 15 125.4 0.3 A 147 PRO HA H 1 4.58 0.02 A 147 PRO HBy H 1 2.39 0.02 A 147 PRO HBx H 1 1.92 0.02 A 147 PRO C C 13 176.2 0.3 A 147 PRO CA C 13 63.3 0.3 A 147 PRO CB C 13 33.6 0.3 A 147 PRO CD C 13 52.2 0.3 A 147 PRO CG C 13 28.3 0.3 A 148 ARG H H 1 8.54 0.02 A 148 ARG HA H 1 4.27 0.02 A 148 ARG C C 13 175.5 0.3 A 148 ARG CA C 13 58.3 0.3 A 148 ARG CB C 13 32.4 0.3 A 148 ARG CD C 13 44.8 0.3 A 148 ARG CG C 13 28.1 0.3 A 148 ARG N N 15 120.7 0.3 A 149 GLN H H 1 7.77 0.02 A 149 GLN HA H 1 4.72 0.02 A 149 GLN C C 13 174.3 0.3 A 149 GLN CA C 13 55.9 0.3 A 149 GLN CB C 13 29.7 0.3 A 149 GLN CG C 13 37.4 0.3 A 149 GLN N N 15 115.0 0.3 A 150 GLU H H 1 8.57 0.02 A 150 GLU HA H 1 4.47 0.02 A 150 GLU HBy H 1 2.22 0.02 A 150 GLU HBx H 1 1.72 0.02 A 150 GLU C C 13 175.8 0.3 A 150 GLU CA C 13 56.3 0.3 A 150 GLU CB C 13 32.4 0.3 A 150 GLU CG C 13 37.0 0.3 A 150 GLU N N 15 117.8 0.3 A 151 GLU H H 1 8.00 0.02 A 151 GLU HA H 1 4.26 0.02 A 151 GLU C C 13 176.0 0.3 A 151 GLU CA C 13 59.5 0.3 A 151 GLU CB C 13 32.2 0.3 A 151 GLU CG C 13 37.7 0.3 A 151 GLU N N 15 119.2 0.3 A 152 CYS H H 1 9.62 0.02 A 152 CYS HA H 1 5.14 0.02 A 152 CYS HBy H 1 3.09 0.02 A 152 CYS HBx H 1 2.60 0.02 A 152 CYS C C 13 172.8 0.3 A 152 CYS CA C 13 54.0 0.3 A 152 CYS CB C 13 34.9 0.3 A 152 CYS N N 15 122.1 0.3 A 153 THR H H 1 8.49 0.02 A 153 THR HA H 1 4.86 0.02 A 153 THR HB H 1 4.12 0.02 A 153 THR HG2% H 1 1.03 0.02 A 153 THR C C 13 173.0 0.3 A 153 THR CA C 13 59.8 0.3 A 153 THR CB C 13 72.5 0.3 A 153 THR CG2 C 13 21.6 0.3 A 153 THR N N 15 118.0 0.3 A 154 VAL H H 1 6.92 0.02 A 154 VAL HA H 1 4.12 0.02 A 154 VAL HB H 1 1.99 0.02 A 154 VAL HG1% H 1 0.67 0.02 A 154 VAL HG2% H 1 0.70 0.02 A 154 VAL C C 13 175.5 0.3 A 154 VAL CA C 13 62.0 0.3 A 154 VAL CB C 13 33.1 0.3 A 154 VAL CG1 C 13 21.0 0.3 A 154 VAL CG2 C 13 22.9 0.3 A 154 VAL N N 15 114.9 0.3 A 155 ASP H H 1 8.39 0.02 A 155 ASP HA H 1 4.49 0.02 A 155 ASP HBy H 1 2.66 0.02 A 155 ASP HBx H 1 2.42 0.02 A 155 ASP C C 13 175.8 0.3 A 155 ASP CA C 13 55.7 0.3 A 155 ASP CB C 13 42.3 0.3 A 155 ASP N N 15 124.1 0.3 A 156 GLU H H 1 8.45 0.02 A 156 GLU HA H 1 4.17 0.02 A 156 GLU HBy H 1 2.03 0.02 A 156 GLU HBx H 1 1.83 0.02 A 156 GLU HGy H 1 2.20 0.02 A 156 GLU HGx H 1 2.03 0.02 A 156 GLU C C 13 175.4 0.3 A 156 GLU CA C 13 57.5 0.3 A 156 GLU CB C 13 31.4 0.3 A 156 GLU CG C 13 37.2 0.3 A 156 GLU N N 15 121.0 0.3 A 157 VAL H H 1 7.62 0.02 A 157 VAL HA H 1 3.95 0.02 A 157 VAL HB H 1 2.02 0.02 A 157 VAL C C 13 180.7 0.3 A 157 VAL CA C 13 64.4 0.3 A 157 VAL CB C 13 34.2 0.3 A 157 VAL CG1 C 13 21.3 0.3 A 157 VAL N N 15 124.0 0.3 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 7 SER H A 7 SER HBx 1.0 0.0 5.50 2 1 A 7 SER H A 7 SER HBy 1.0 0.0 5.50 3 2 A 8 GLU H A 8 GLU HBx 1.0 0.0 4.50 4 2 A 8 GLU H A 8 GLU HBy 1.0 0.0 4.50 5 3 A 9 ILE H A 8 GLU HBx 1.0 0.0 5.50 6 3 A 8 GLU HBy A 9 ILE H 1.0 0.0 5.50 7 4 A 10 ALA H A 8 GLU HBx 1.0 0.0 6.50 8 4 A 8 GLU HBy A 10 ALA H 1.0 0.0 6.50 9 5 A 9 ILE H A 9 ILE HG2% 1.0 0.0 5.50 10 6 A 9 ILE H A 9 ILE HD1% 1.0 0.0 6.50 11 7 A 9 ILE HA A 10 ALA HB% 1.0 0.0 6.50 12 8 A 10 ALA H A 9 ILE HG2% 1.0 0.0 6.50 13 9 A 9 ILE HG2% A 92 TYR HA 1.0 0.0 6.50 14 10 A 9 ILE HG2% A 92 TYR HBx 1.0 0.0 6.50 15 10 A 9 ILE HG2% A 92 TYR HBy 1.0 0.0 6.50 16 11 A 9 ILE HD1% A 92 TYR HA 1.0 0.0 6.50 17 12 A 9 ILE HD1% A 92 TYR HBx 1.0 0.0 6.50 18 12 A 9 ILE HD1% A 92 TYR HBy 1.0 0.0 6.50 19 13 A 10 ALA H A 10 ALA HB% 1.0 0.0 4.50 20 14 A 10 ALA HB% A 11 GLY H 1.0 0.0 4.50 21 15 A 10 ALA HB% A 41 PHE H 1.0 0.0 6.50 22 16 A 10 ALA HB% A 39 ILE HD1% 1.0 0.0 6.50 23 17 A 10 ALA HB% A 39 ILE HG2% 1.0 0.0 6.50 24 18 A 11 GLY H A 39 ILE HG2% 1.0 0.0 5.50 25 19 A 13 TRP H A 12 LYS HGx 1.0 0.0 5.50 26 19 A 12 LYS HGy A 13 TRP H 1.0 0.0 5.50 27 20 A 12 LYS HA A 12 LYS HGx 1.0 0.0 5.50 28 20 A 12 LYS HGy A 12 LYS HA 1.0 0.0 5.50 29 21 A 39 ILE HD1% A 13 TRP HE1 1.0 0.0 6.50 30 22 A 39 ILE HG2% A 13 TRP HE1 1.0 0.0 6.50 31 23 A 9 ILE HG2% A 13 TRP HE1 1.0 0.0 6.50 32 24 A 39 ILE HG2% A 13 TRP HD1 1.0 0.0 6.50 33 25 A 9 ILE HG2% A 13 TRP HH2 1.0 0.0 6.50 34 26 A 9 ILE HG2% A 13 TRP HZ2 1.0 0.0 6.50 35 27 A 14 TYR H A 16 VAL HG1% 1.0 0.0 6.50 36 28 A 14 TYR HE% A 119 PRO HGx 1.0 0.0 6.50 37 29 A 14 TYR HE% A 36 MET HE% 1.0 0.0 6.50 38 30 A 14 TYR HE% A 36 MET HGx 1.0 0.0 6.50 39 30 A 14 TYR HE% A 36 MET HGy 1.0 0.0 6.50 40 31 A 14 TYR HE% A 116 SER HBx 1.0 0.0 6.50 41 32 A 14 TYR HE% A 37 ALA H 1.0 0.0 6.50 42 33 A 37 ALA H A 14 TYR HD% 1.0 0.0 6.50 43 34 A 14 TYR HD% A 15 VAL H 1.0 0.0 6.50 44 35 A 14 TYR HE% A 15 VAL H 1.0 0.0 6.50 45 36 A 15 VAL HG2% A 35 ALA H 1.0 0.0 5.50 46 37 A 15 VAL HG2% A 35 ALA HB% 1.0 0.0 5.50 47 38 A 16 VAL HG1% A 16 VAL H 1.0 0.0 5.50 48 39 A 16 VAL H A 16 VAL HG2% 1.0 0.0 5.50 49 40 A 16 VAL HG2% A 116 SER HBy 1.0 0.0 6.00 50 41 A 116 SER HBx A 16 VAL HG2% 1.0 0.0 6.00 51 42 A 16 VAL HG2% A 116 SER H 1.0 0.0 6.50 52 43 A 16 VAL HG2% A 116 SER HA 1.0 0.0 6.50 53 44 A 16 VAL HG2% A 121 VAL HB 1.0 0.0 6.50 54 45 A 16 VAL HG1% A 116 SER HBy 1.0 0.0 6.00 55 46 A 16 VAL HG1% A 116 SER HBx 1.0 0.0 6.00 56 47 A 16 VAL HG1% A 115 TYR HA 1.0 0.0 6.50 57 48 A 16 VAL HG1% A 116 SER H 1.0 0.0 6.50 58 49 A 16 VAL HG1% A 116 SER HA 1.0 0.0 6.50 59 50 A 17 ALA H A 17 ALA HB% 1.0 0.0 5.50 60 51 A 17 ALA H A 114 LEU HBx 1.0 0.0 5.50 61 51 A 17 ALA H A 114 LEU HBy 1.0 0.0 5.50 62 52 A 17 ALA HB% A 18 LEU H 1.0 0.0 5.50 63 53 A 18 LEU H A 146 LEU HD2% 1.0 0.0 6.50 64 54 A 18 LEU HD2% A 19 ALA H 1.0 0.0 5.00 65 55 A 18 LEU HD2% A 26 LEU HA 1.0 0.0 6.50 66 56 A 18 LEU HD2% A 26 LEU HBy 1.0 0.0 6.50 67 57 A 19 ALA H A 112 MET HGx 1.0 0.0 6.50 68 57 A 19 ALA H A 112 MET HGy 1.0 0.0 6.50 69 58 A 19 ALA HB% A 20 SER H 1.0 0.0 5.00 70 59 A 19 ALA HB% A 112 MET H 1.0 0.0 6.50 71 60 A 21 ASN H A 20 SER HBx 1.0 0.0 6.50 72 60 A 20 SER HBy A 21 ASN H 1.0 0.0 6.50 73 61 A 21 ASN HD21 A 142 MET HE% 1.0 0.0 6.50 74 62 A 142 MET HE% A 21 ASN HD22 1.0 0.0 6.50 75 63 A 22 THR H A 25 PHE HD% 1.0 0.0 6.50 76 64 A 22 THR H A 22 THR HG2% 1.0 0.0 5.00 77 65 A 22 THR H A 25 PHE HBx 1.0 0.0 5.50 78 65 A 22 THR H A 25 PHE HBy 1.0 0.0 5.50 79 66 A 22 THR HG2% A 109 LEU HD1% 1.0 0.0 5.00 80 67 A 22 THR HG2% A 109 LEU HD2% 1.0 0.0 6.50 81 68 A 22 THR HG2% A 23 GLU H 1.0 0.0 5.50 82 69 A 22 THR HG2% A 25 PHE H 1.0 0.0 6.50 83 70 A 22 THR HG2% A 25 PHE HBx 1.0 0.0 6.50 84 70 A 22 THR HG2% A 25 PHE HBy 1.0 0.0 6.50 85 71 A 22 THR HG2% A 24 PHE HE% 1.0 0.0 6.50 86 72 A 22 THR HG2% A 24 PHE HA 1.0 0.0 6.50 87 73 A 25 PHE HD% A 22 THR HG2% 1.0 0.0 6.50 88 74 A 22 THR HG2% A 21 ASN HA 1.0 0.5 7.00 89 75 A 22 THR HG2% A 20 SER HBx 1.0 0.0 6.50 90 75 A 20 SER HBy A 22 THR HG2% 1.0 0.0 6.50 91 76 A 24 PHE H A 24 PHE HD% 1.0 0.0 6.50 92 77 A 25 PHE H A 25 PHE HBx 1.0 0.0 4.50 93 77 A 25 PHE HBy A 25 PHE H 1.0 0.0 4.50 94 78 A 25 PHE H A 24 PHE HE% 1.0 0.0 6.50 95 79 A 25 PHE H A 24 PHE HD% 1.0 0.0 6.50 96 80 A 25 PHE HD% A 26 LEU H 1.0 0.0 6.00 97 81 A 26 LEU H A 25 PHE HBx 1.0 0.0 5.50 98 81 A 25 PHE HBy A 26 LEU H 1.0 0.0 5.50 99 82 A 26 LEU H A 26 LEU HD1% 1.0 0.0 5.50 100 83 A 26 LEU H A 26 LEU HD2% 1.0 0.0 5.50 101 84 A 21 ASN HA A 26 LEU HD1% 1.0 0.0 6.50 102 85 A 26 LEU HD1% A 27 ARG H 1.0 0.0 6.00 103 86 A 26 LEU HD1% A 142 MET HA 1.0 0.0 6.50 104 87 A 26 LEU HD2% A 27 ARG H 1.0 0.0 5.50 105 88 A 142 MET HE% A 26 LEU HD2% 1.0 0.0 6.50 106 89 A 26 LEU HD2% A 142 MET HGx 1.0 0.0 6.50 107 89 A 26 LEU HD2% A 142 MET HGy 1.0 0.0 6.50 108 90 A 26 LEU HD2% A 21 ASN HBy 1.0 0.0 6.50 109 91 A 26 LEU HD2% A 21 ASN HBx 1.0 0.0 6.50 110 92 A 26 LEU HD2% A 142 MET HA 1.0 0.0 6.50 111 93 A 21 ASN HA A 26 LEU HD2% 1.0 0.0 6.50 112 94 A 26 LEU HD2% A 142 MET H 1.0 0.0 6.50 113 95 A 27 ARG H A 27 ARG HBx 1.0 0.0 4.00 114 95 A 27 ARG H A 27 ARG HBy 1.0 0.0 4.00 115 96 A 27 ARG H A 27 ARG HGx 1.0 0.0 5.00 116 96 A 27 ARG H A 27 ARG HGy 1.0 0.0 5.00 117 97 A 28 GLU H A 27 ARG HDx 1.0 0.0 6.00 118 97 A 27 ARG HDy A 28 GLU H 1.0 0.0 6.00 119 98 A 28 GLU H A 27 ARG HBx 1.0 0.0 4.50 120 98 A 27 ARG HBy A 28 GLU H 1.0 0.0 4.50 121 99 A 28 GLU H A 28 GLU HGx 1.0 0.0 5.00 122 99 A 28 GLU H A 28 GLU HGy 1.0 0.0 5.00 123 100 A 28 GLU H A 28 GLU HBx 1.0 0.0 5.00 124 100 A 28 GLU H A 28 GLU HBy 1.0 0.0 5.00 125 101 A 29 LYS H A 28 GLU HBx 1.0 0.0 5.00 126 101 A 28 GLU HBy A 29 LYS H 1.0 0.0 5.00 127 102 A 29 LYS H A 32 MET HE% 1.0 0.0 6.50 128 103 A 32 MET HE% A 30 ASP H 1.0 0.0 6.50 129 104 A 30 ASP H A 31 LYS HEx 1.0 0.0 6.50 130 104 A 30 ASP H A 31 LYS HEy 1.0 0.0 6.50 131 105 A 31 LYS H A 31 LYS HGx 1.0 0.5 5.00 132 105 A 31 LYS H A 31 LYS HGy 1.0 0.5 5.00 133 106 A 31 LYS H A 31 LYS HDx 1.0 0.0 5.50 134 106 A 31 LYS H A 31 LYS HDy 1.0 0.0 5.50 135 107 A 31 LYS H A 32 MET HGx 1.0 0.0 6.00 136 107 A 31 LYS H A 32 MET HGy 1.0 0.0 6.00 137 108 A 32 MET H A 31 LYS HGx 1.0 0.0 6.00 138 108 A 31 LYS HGy A 32 MET H 1.0 0.0 6.00 139 109 A 32 MET HE% A 31 LYS HGx 1.0 0.0 6.00 140 109 A 32 MET HE% A 31 LYS HGy 1.0 0.0 6.00 141 110 A 32 MET H A 31 LYS HGx 1.0 0.0 6.50 142 110 A 31 LYS HGy A 32 MET H 1.0 0.0 6.50 143 111 A 32 MET H A 31 LYS HEx 1.0 0.0 5.50 144 111 A 31 LYS HEy A 32 MET H 1.0 0.0 5.50 145 112 A 146 LEU HD2% A 32 MET H 1.0 0.0 6.00 146 113 A 32 MET H A 32 MET HGx 1.0 0.0 5.00 147 113 A 32 MET HGy A 32 MET H 1.0 0.0 5.00 148 114 A 32 MET HE% A 29 LYS HBx 1.0 0.0 6.50 149 115 A 32 MET HE% A 31 LYS HGx 1.0 0.0 6.50 150 115 A 32 MET HE% A 31 LYS HGy 1.0 0.0 6.50 151 116 A 32 MET HE% A 31 LYS HA 1.0 0.0 6.50 152 117 A 28 GLU H A 32 MET HE% 1.0 0.0 6.50 153 118 A 32 MET HE% A 31 LYS H 1.0 0.0 6.50 154 119 A 146 LEU HD2% A 33 LYS H 1.0 0.0 6.00 155 120 A 33 LYS H A 146 LEU HD1% 1.0 0.0 6.50 156 121 A 146 LEU HD1% A 34 MET H 1.0 0.0 5.50 157 122 A 16 VAL HG1% A 34 MET H 1.0 0.0 6.50 158 123 A 16 VAL HG1% A 34 MET HE% 1.0 0.0 6.00 159 124 A 16 VAL HG2% A 34 MET HE% 1.0 0.0 6.50 160 125 A 34 MET HE% A 146 LEU HG 1.0 0.0 6.50 161 126 A 14 TYR HE% A 34 MET HE% 1.0 0.0 6.50 162 127 A 14 TYR HD% A 34 MET HE% 1.0 0.0 6.50 163 128 A 35 ALA H A 34 MET HE% 1.0 0.0 6.50 164 129 A 35 ALA HB% A 53 VAL HG1% 1.0 0.0 6.50 165 130 A 35 ALA HB% A 36 MET H 1.0 0.0 4.50 166 131 A 36 MET H A 52 ALA HB% 1.0 0.0 6.50 167 132 A 14 TYR HE% A 36 MET H 1.0 0.0 6.50 168 133 A 36 MET H A 154 VAL HG1% 1.0 0.0 6.50 169 134 A 36 MET H A 53 VAL HG2% 1.0 0.0 6.50 170 135 A 36 MET HE% A 153 THR HA 1.0 0.0 5.50 171 136 A 36 MET HE% A 153 THR HB 1.0 0.0 5.50 172 137 A 36 MET HE% A 154 VAL HG1% 1.0 0.0 6.50 173 138 A 36 MET HE% A 150 GLU HA 1.0 0.0 5.50 174 139 A 37 ALA H A 36 MET HGx 1.0 0.0 5.50 175 139 A 36 MET HGy A 37 ALA H 1.0 0.0 5.50 176 140 A 154 VAL HG1% A 36 MET HGx 1.0 0.0 6.50 177 140 A 36 MET HGy A 154 VAL HG1% 1.0 0.0 6.50 178 141 A 14 TYR HE% A 36 MET HBx 1.0 0.0 5.50 179 141 A 14 TYR HE% A 36 MET HBy 1.0 0.0 5.50 180 142 A 14 TYR HBx A 36 MET HBx 1.0 0.0 6.50 181 142 A 36 MET HBy A 14 TYR HBx 1.0 0.0 6.50 182 143 A 52 ALA HA A 36 MET HBx 1.0 0.0 6.50 183 143 A 36 MET HBy A 52 ALA HA 1.0 0.0 6.50 184 144 A 52 ALA HB% A 36 MET HBx 1.0 0.0 6.50 185 144 A 52 ALA HB% A 36 MET HBy 1.0 0.0 6.50 186 145 A 154 VAL HG1% A 36 MET HBx 1.0 0.0 6.50 187 145 A 154 VAL HG1% A 36 MET HBy 1.0 0.0 6.50 188 146 A 37 ALA H A 37 ALA HB% 1.0 0.0 5.50 189 147 A 37 ALA H A 154 VAL HG1% 1.0 0.0 6.50 190 148 A 154 VAL HG1% A 37 ALA HA 1.0 0.0 6.50 191 149 A 37 ALA HB% A 38 ARG H 1.0 0.0 5.50 192 150 A 38 ARG H A 49 VAL HG2% 1.0 0.0 5.60 193 151 A 38 ARG H A 38 ARG HDx 1.0 0.0 6.50 194 151 A 38 ARG H A 38 ARG HDy 1.0 0.0 6.50 195 152 A 39 ILE H A 38 ARG HDx 1.0 0.0 6.50 196 152 A 38 ARG HDy A 39 ILE H 1.0 0.0 6.50 197 153 A 39 ILE HG2% A 39 ILE H 1.0 0.0 5.50 198 154 A 39 ILE HD1% A 40 SER HA 1.0 0.0 6.50 199 155 A 39 ILE HD1% A 40 SER H 1.0 0.0 6.50 200 156 A 39 ILE HD1% A 13 TRP HBx 1.0 0.0 6.50 201 157 A 10 ALA H A 39 ILE HG2% 1.0 0.0 6.50 202 158 A 39 ILE HG2% A 38 ARG HA 1.0 0.0 6.50 203 159 A 39 ILE HG2% A 40 SER H 1.0 0.0 5.50 204 160 A 39 ILE HG2% A 40 SER HBy 1.0 0.0 6.50 205 161 A 42 LEU HD2% A 40 SER HBy 1.0 0.0 6.50 206 162 A 10 ALA HB% A 40 SER HBy 1.0 0.0 6.50 207 163 A 39 ILE HG2% A 40 SER HBx 1.0 0.0 6.50 208 164 A 42 LEU HD2% A 40 SER HBx 1.0 0.0 6.50 209 165 A 10 ALA HB% A 40 SER HBx 1.0 0.0 6.50 210 166 A 41 PHE H A 40 SER HBx 1.0 0.0 5.50 211 166 A 41 PHE H A 40 SER HBy 1.0 0.0 5.50 212 167 A 41 PHE H A 41 PHE HD% 1.0 0.0 6.00 213 168 A 42 LEU HD1% A 48 LYS H 1.0 0.0 6.00 214 169 A 42 LEU HD1% A 67 LYS HA 1.0 0.0 6.50 215 170 A 42 LEU HD2% A 48 LYS H 1.0 0.0 6.50 216 171 A 42 LEU HD2% A 48 LYS HEx 1.0 0.0 6.50 217 171 A 42 LEU HD2% A 48 LYS HEy 1.0 0.0 6.50 218 172 A 42 LEU HD1% A 42 LEU H 1.0 0.0 5.50 219 173 A 43 GLY H A 46 GLU HBx 1.0 0.0 5.00 220 173 A 43 GLY H A 46 GLU HBy 1.0 0.0 5.00 221 174 A 43 GLY H A 43 GLY HAx 1.0 0.0 4.00 222 174 A 43 GLY H A 43 GLY HAy 1.0 0.0 4.00 223 175 A 44 GLU H A 43 GLY HAx 1.0 0.0 4.50 224 175 A 43 GLY HAy A 44 GLU H 1.0 0.0 4.50 225 176 A 44 GLU H A 44 GLU HBx 1.0 0.0 4.50 226 176 A 44 GLU H A 44 GLU HBy 1.0 0.0 4.50 227 177 A 45 ASP H A 44 GLU HGx 1.0 0.0 5.50 228 177 A 44 GLU HGy A 45 ASP H 1.0 0.0 5.50 229 178 A 45 ASP H A 44 GLU HBx 1.0 0.0 4.50 230 178 A 44 GLU HBy A 45 ASP H 1.0 0.0 4.50 231 179 A 45 ASP H A 43 GLY HAx 1.0 0.0 4.50 232 179 A 43 GLY HAy A 45 ASP H 1.0 0.0 4.50 233 180 A 46 GLU H A 43 GLY HAx 1.0 0.0 5.00 234 180 A 43 GLY HAy A 46 GLU H 1.0 0.0 5.00 235 181 A 46 GLU H A 46 GLU HGx 1.0 0.0 5.50 236 181 A 46 GLU H A 46 GLU HGy 1.0 0.0 5.50 237 182 A 46 GLU H A 46 GLU HBx 1.0 0.0 4.00 238 182 A 46 GLU HBy A 46 GLU H 1.0 0.0 4.00 239 183 A 47 LEU H A 46 GLU HBx 1.0 0.0 5.50 240 183 A 46 GLU HBy A 47 LEU H 1.0 0.0 5.50 241 184 A 45 ASP H A 46 GLU HBx 1.0 0.0 6.50 242 184 A 46 GLU HBy A 45 ASP H 1.0 0.0 6.50 243 185 A 68 LYS H A 46 GLU HBx 1.0 0.0 6.50 244 185 A 46 GLU HBy A 68 LYS H 1.0 0.0 6.50 245 186 A 65 THR HG2% A 46 GLU HBx 1.0 0.0 6.50 246 186 A 46 GLU HBy A 65 THR HG2% 1.0 0.0 6.50 247 187 A 47 LEU H A 46 GLU HGx 1.0 0.0 6.50 248 187 A 46 GLU HGy A 47 LEU H 1.0 0.0 6.50 249 188 A 42 LEU HD1% A 46 GLU HGx 1.0 0.0 6.50 250 188 A 42 LEU HD1% A 46 GLU HGy 1.0 0.0 6.50 251 189 A 65 THR HG2% A 46 GLU HGx 1.0 0.0 6.50 252 189 A 46 GLU HGy A 65 THR HG2% 1.0 0.0 6.50 253 190 A 42 LEU HBy A 46 GLU HGx 1.0 0.0 6.50 254 190 A 46 GLU HGy A 42 LEU HBy 1.0 0.0 6.50 255 191 A 47 LEU H A 47 LEU HD1% 1.0 0.0 5.77 256 192 A 49 VAL HG2% A 47 LEU HD1% 1.0 0.0 6.50 257 193 A 47 LEU HD1% A 44 GLU HA 1.0 0.0 6.50 258 194 A 47 LEU HD1% A 66 PHE H 1.0 0.0 6.50 259 195 A 47 LEU HD1% A 66 PHE HBy 1.0 0.0 6.50 260 196 A 47 LEU HD1% A 66 PHE HBx 1.0 0.0 5.50 261 197 A 41 PHE HD% A 47 LEU HD1% 1.0 0.0 6.50 262 198 A 47 LEU HD1% A 41 PHE HE% 1.0 0.0 6.50 263 199 A 48 LYS H A 48 LYS HEx 1.0 0.0 6.50 264 199 A 48 LYS H A 48 LYS HEy 1.0 0.0 6.50 265 200 A 48 LYS HBx A 48 LYS HDx 1.0 0.0 5.00 266 200 A 48 LYS HBx A 48 LYS HDy 1.0 0.0 5.00 267 201 A 42 LEU HD1% A 48 LYS HGy 1.0 0.0 6.50 268 202 A 42 LEU HD1% A 48 LYS HGx 1.0 0.0 6.50 269 203 A 42 LEU HD2% A 48 LYS HEx 1.0 0.0 6.50 270 203 A 42 LEU HD2% A 48 LYS HEy 1.0 0.0 6.50 271 204 A 42 LEU HD1% A 48 LYS HEx 1.0 0.0 6.50 272 204 A 42 LEU HD1% A 48 LYS HEy 1.0 0.0 6.50 273 205 A 49 VAL H A 49 VAL HG1% 1.0 0.0 5.50 274 206 A 49 VAL HG2% A 49 VAL H 1.0 0.0 6.00 275 207 A 65 THR HG2% A 49 VAL H 1.0 0.0 6.50 276 208 A 49 VAL HG1% A 50 SER H 1.0 0.0 6.00 277 209 A 49 VAL HG1% A 39 ILE HA 1.0 0.0 6.50 278 210 A 49 VAL HG1% A 51 TYR HE% 1.0 0.0 6.50 279 211 A 49 VAL HG2% A 64 THR HB 1.0 0.0 6.50 280 212 A 49 VAL HG2% A 39 ILE HA 1.0 0.0 6.50 281 213 A 38 ARG H A 49 VAL HG2% 1.0 0.0 6.50 282 214 A 49 VAL HG2% A 51 TYR HE% 1.0 0.0 6.50 283 215 A 37 ALA HB% A 49 VAL HG2% 1.0 0.0 6.50 284 216 A 49 VAL HG2% A 50 SER H 1.0 0.0 5.00 285 217 A 49 VAL HG2% A 50 SER HBy 1.0 0.0 6.50 286 218 A 154 VAL HG1% A 50 SER HBy 1.0 0.0 6.50 287 219 A 50 SER HBy A 63 GLU HGx 1.0 0.0 6.50 288 219 A 50 SER HBy A 63 GLU HGy 1.0 0.0 6.50 289 220 A 49 VAL HG2% A 50 SER HBx 1.0 0.0 6.50 290 221 A 154 VAL HG1% A 50 SER HBx 1.0 0.0 6.50 291 222 A 50 SER HBx A 63 GLU HGx 1.0 0.0 6.50 292 222 A 63 GLU HGy A 50 SER HBx 1.0 0.0 6.50 293 223 A 52 ALA HB% A 53 VAL H 1.0 0.0 5.50 294 224 A 53 VAL HG1% A 53 VAL H 1.0 0.0 6.50 295 225 A 53 VAL HG2% A 53 VAL H 1.0 0.0 5.50 296 226 A 53 VAL HG2% A 35 ALA HA 1.0 0.0 6.50 297 227 A 53 VAL HG2% A 54 PRO HDy 1.0 0.0 5.50 298 228 A 53 VAL HG2% A 54 PRO HDx 1.0 0.0 5.50 299 229 A 53 VAL HG2% A 60 ARG HBx 1.0 0.0 6.50 300 229 A 53 VAL HG2% A 60 ARG HBy 1.0 0.0 6.50 301 230 A 53 VAL HG1% A 54 PRO HDy 1.0 0.0 5.50 302 231 A 53 VAL HG1% A 54 PRO HDx 1.0 0.0 5.50 303 232 A 55 LYS H A 54 PRO HBx 1.0 0.0 4.50 304 232 A 54 PRO HBy A 55 LYS H 1.0 0.0 4.50 305 233 A 54 PRO HDy A 32 MET HBx 1.0 0.0 6.50 306 233 A 54 PRO HDy A 32 MET HBy 1.0 0.0 6.50 307 234 A 54 PRO HDx A 32 MET HBx 1.0 0.0 6.50 308 234 A 54 PRO HDx A 32 MET HBy 1.0 0.0 6.50 309 235 A 31 LYS HEx A 56 PRO HGx 1.0 0.0 6.50 310 235 A 31 LYS HEy A 56 PRO HGx 1.0 0.0 6.50 311 235 A 56 PRO HGy A 31 LYS HEx 1.0 0.0 6.50 312 235 A 31 LYS HEy A 56 PRO HGy 1.0 0.0 6.50 313 236 A 151 GLU H A 56 PRO HDx 1.0 0.0 6.50 314 236 A 56 PRO HDy A 151 GLU H 1.0 0.0 6.50 315 237 A 57 ASN H A 57 ASN HBx 1.0 0.0 5.00 316 237 A 57 ASN H A 57 ASN HBy 1.0 0.0 5.00 317 238 A 57 ASN HD21 A 57 ASN HBx 1.0 0.0 5.00 318 238 A 57 ASN HBy A 57 ASN HD21 1.0 0.0 5.00 319 239 A 57 ASN HD22 A 57 ASN HBx 1.0 0.0 5.00 320 239 A 57 ASN HBy A 57 ASN HD22 1.0 0.0 5.00 321 240 A 58 GLY H A 57 ASN HBx 1.0 0.0 5.00 322 240 A 57 ASN HBy A 58 GLY H 1.0 0.0 5.00 323 241 A 58 GLY H A 55 LYS HBx 1.0 0.0 5.50 324 241 A 58 GLY H A 55 LYS HBy 1.0 0.0 5.50 325 242 A 58 GLY H A 55 LYS HGx 1.0 0.0 5.50 326 242 A 58 GLY H A 55 LYS HGy 1.0 0.0 5.50 327 243 A 58 GLY H A 57 ASN HBx 1.0 0.0 6.50 328 243 A 57 ASN HBy A 58 GLY H 1.0 0.0 6.50 329 244 A 60 ARG H A 60 ARG HBx 1.0 0.0 5.00 330 244 A 60 ARG HBy A 60 ARG H 1.0 0.0 5.00 331 245 A 62 TRP H A 62 TRP HBx 1.0 0.0 5.50 332 245 A 62 TRP H A 62 TRP HBy 1.0 0.0 5.50 333 246 A 52 ALA HB% A 62 TRP H 1.0 0.0 6.50 334 247 A 63 GLU H A 62 TRP HBx 1.0 0.0 4.50 335 247 A 62 TRP HBy A 63 GLU H 1.0 0.0 4.50 336 248 A 53 VAL HG2% A 62 TRP HE1 1.0 0.0 7.00 337 249 A 62 TRP HE1 A 51 TYR HBx 1.0 0.0 6.50 338 249 A 62 TRP HE1 A 51 TYR HBy 1.0 0.0 6.50 339 250 A 62 TRP HE1 A 64 THR HG2% 1.0 0.0 7.50 340 251 A 62 TRP HE1 A 62 TRP HBx 1.0 0.0 6.50 341 251 A 62 TRP HBy A 62 TRP HE1 1.0 0.0 6.50 342 252 A 63 GLU H A 63 GLU HGx 1.0 0.0 5.00 343 252 A 63 GLU HGy A 63 GLU H 1.0 0.0 5.00 344 253 A 64 THR H A 63 GLU HGx 1.0 0.0 5.50 345 253 A 63 GLU HGy A 64 THR H 1.0 0.0 5.50 346 254 A 64 THR H A 63 GLU HBx 1.0 0.0 5.00 347 254 A 64 THR H A 63 GLU HBy 1.0 0.0 5.00 348 255 A 51 TYR HE% A 64 THR H 1.0 0.0 6.50 349 256 A 64 THR HG2% A 64 THR H 1.0 0.0 6.00 350 257 A 51 TYR HE% A 64 THR HB 1.0 0.0 6.50 351 258 A 51 TYR HE% A 64 THR HG2% 1.0 0.0 6.50 352 259 A 64 THR HG2% A 65 THR H 1.0 0.0 5.50 353 260 A 65 THR HG2% A 66 PHE H 1.0 0.0 5.00 354 261 A 66 PHE HBx A 49 VAL HG1% 1.0 0.0 6.50 355 262 A 67 LYS H A 67 LYS HGx 1.0 0.0 5.50 356 262 A 67 LYS H A 67 LYS HGy 1.0 0.0 5.50 357 263 A 68 LYS H A 67 LYS HDx 1.0 0.0 5.00 358 263 A 68 LYS H A 67 LYS HDy 1.0 0.0 5.00 359 264 A 68 LYS H A 67 LYS HGx 1.0 0.0 5.00 360 264 A 68 LYS H A 67 LYS HGy 1.0 0.0 5.00 361 265 A 66 PHE HA A 67 LYS HGx 1.0 0.0 5.50 362 265 A 67 LYS HGy A 66 PHE HA 1.0 0.0 5.50 363 266 A 69 THR H A 69 THR HG2% 1.0 0.0 5.00 364 267 A 69 THR HG2% A 77 TYR H 1.0 0.0 6.50 365 268 A 69 THR HG2% A 70 SER H 1.0 0.0 6.50 366 269 A 69 THR HG2% A 71 ASP H 1.0 0.0 6.50 367 270 A 69 THR HG2% A 77 TYR HBx 1.0 0.0 5.50 368 270 A 69 THR HG2% A 77 TYR HBy 1.0 0.0 5.50 369 271 A 69 THR HG2% A 76 TYR HA 1.0 0.0 5.50 370 272 A 69 THR HG2% A 77 TYR HA 1.0 0.0 5.50 371 273 A 69 THR HG2% A 70 SER H 1.0 0.0 5.50 372 274 A 72 ASP H A 75 VAL HG2% 1.0 0.0 6.50 373 275 A 75 VAL HG2% A 73 GLY H 1.0 0.0 5.70 374 276 A 74 GLU H A 74 GLU HGx 1.0 0.0 4.50 375 276 A 74 GLU H A 74 GLU HGy 1.0 0.0 4.50 376 277 A 74 GLU H A 74 GLU HBx 1.0 0.0 5.00 377 277 A 74 GLU H A 74 GLU HBy 1.0 0.0 5.00 378 278 A 75 VAL HG2% A 74 GLU H 1.0 0.0 5.50 379 279 A 75 VAL HG2% A 74 GLU HBx 1.0 0.0 5.50 380 279 A 75 VAL HG2% A 74 GLU HBy 1.0 0.0 5.50 381 280 A 87 VAL HG1% A 74 GLU HGx 1.0 0.0 6.50 382 280 A 74 GLU HGy A 87 VAL HG1% 1.0 0.0 6.50 383 281 A 75 VAL HG2% A 75 VAL H 1.0 0.0 5.00 384 282 A 75 VAL HG1% A 76 TYR H 1.0 0.0 5.50 385 283 A 75 VAL HG2% A 71 ASP HBy 1.0 0.0 5.50 386 284 A 75 VAL HG2% A 71 ASP HBx 1.0 0.0 5.50 387 285 A 76 TYR H A 85 VAL HG2% 1.0 0.0 6.50 388 286 A 85 VAL HG2% A 76 TYR HBx 1.0 0.0 6.50 389 287 A 85 VAL HG2% A 76 TYR HBy 1.0 0.0 6.50 390 288 A 77 TYR H A 77 TYR HBx 1.0 0.0 5.00 391 288 A 77 TYR H A 77 TYR HBy 1.0 0.0 5.00 392 289 A 69 THR HG2% A 77 TYR H 1.0 0.0 6.50 393 290 A 64 THR HG2% A 78 SER HBx 1.0 0.0 6.50 394 290 A 64 THR HG2% A 78 SER HBy 1.0 0.0 6.50 395 291 A 79 GLU H A 78 SER HBx 1.0 0.0 6.00 396 291 A 78 SER HBy A 79 GLU H 1.0 0.0 6.00 397 292 A 80 GLU H A 78 SER HBx 1.0 0.0 6.50 398 292 A 78 SER HBy A 80 GLU H 1.0 0.0 6.50 399 293 A 83 LYS H A 78 SER HBx 1.0 0.0 5.50 400 293 A 78 SER HBy A 83 LYS H 1.0 0.0 5.50 401 294 A 80 GLU H A 80 GLU HGx 1.0 0.0 5.00 402 294 A 80 GLU H A 80 GLU HGy 1.0 0.0 5.00 403 295 A 80 GLU H A 80 GLU HBx 1.0 0.0 4.00 404 295 A 80 GLU H A 80 GLU HBy 1.0 0.0 4.00 405 296 A 80 GLU H A 81 ALA HB% 1.0 0.0 6.00 406 297 A 81 ALA H A 80 GLU HBx 1.0 0.0 4.50 407 297 A 80 GLU HBy A 81 ALA H 1.0 0.0 4.50 408 298 A 64 THR HG2% A 81 ALA HB% 1.0 0.0 6.50 409 299 A 81 ALA HB% A 78 SER HBx 1.0 0.0 6.50 410 299 A 78 SER HBy A 81 ALA HB% 1.0 0.0 6.50 411 300 A 81 ALA HB% A 82 LYS H 1.0 0.0 6.50 412 301 A 80 GLU H A 81 ALA HB% 1.0 0.0 6.50 413 302 A 81 ALA HB% A 81 ALA H 1.0 0.0 4.50 414 303 A 81 ALA HB% A 82 LYS H 1.0 0.0 4.50 415 304 A 83 LYS H A 81 ALA HB% 1.0 0.0 6.50 416 305 A 81 ALA HB% A 83 LYS HA 1.0 0.0 6.50 417 306 A 64 THR HB A 81 ALA HB% 1.0 0.0 6.50 418 307 A 82 LYS H A 82 LYS HBx 1.0 0.0 5.00 419 307 A 82 LYS H A 82 LYS HBy 1.0 0.0 5.00 420 308 A 83 LYS H A 78 SER HBx 1.0 0.0 6.50 421 308 A 78 SER HBy A 83 LYS H 1.0 0.0 6.50 422 309 A 85 VAL H A 84 LYS HGx 1.0 0.0 5.00 423 309 A 84 LYS HGy A 85 VAL H 1.0 0.0 5.00 424 310 A 85 VAL HG1% A 86 GLU H 1.0 0.0 5.50 425 311 A 85 VAL HG2% A 85 VAL H 1.0 0.0 5.50 426 312 A 75 VAL HG1% A 85 VAL H 1.0 0.0 6.50 427 313 A 75 VAL HG1% A 85 VAL HB 1.0 0.0 6.50 428 314 A 85 VAL HG2% A 84 LYS HA 1.0 0.0 6.50 429 315 A 85 VAL HG2% A 86 GLU H 1.0 0.0 6.50 430 316 A 76 TYR HA A 85 VAL HG2% 1.0 0.0 6.50 431 317 A 86 GLU H A 98 ILE HG2% 1.0 0.0 6.50 432 318 A 75 VAL HG2% A 87 VAL H 1.0 0.0 6.50 433 319 A 87 VAL HG1% A 87 VAL H 1.0 0.0 5.00 434 320 A 87 VAL HG2% A 98 ILE HA 1.0 0.0 6.50 435 321 A 87 VAL HG2% A 89 ASP H 1.0 0.0 5.00 436 322 A 87 VAL HG2% A 89 ASP HA 1.0 0.0 6.50 437 323 A 87 VAL HG2% A 90 THR H 1.0 0.0 6.00 438 324 A 87 VAL HG2% A 90 THR HB 1.0 0.0 6.00 439 325 A 88 LEU H A 88 LEU HBx 1.0 0.0 5.00 440 325 A 88 LEU H A 88 LEU HBy 1.0 0.0 5.00 441 326 A 88 LEU HA A 88 LEU HD1% 1.0 0.0 6.50 442 327 A 89 ASP H A 88 LEU HBx 1.0 0.0 5.00 443 327 A 89 ASP H A 88 LEU HBy 1.0 0.0 5.00 444 328 A 89 ASP H A 88 LEU HD1% 1.0 0.0 5.00 445 329 A 88 LEU HD1% A 99 TYR HBy 1.0 0.0 6.50 446 330 A 88 LEU HD1% A 99 TYR HBx 1.0 0.0 6.50 447 331 A 99 TYR HBy A 88 LEU HD2% 1.0 0.0 6.50 448 332 A 99 TYR HBx A 88 LEU HD2% 1.0 0.0 6.50 449 333 A 89 ASP HBx A 88 LEU HBx 1.0 0.0 6.50 450 333 A 88 LEU HBy A 89 ASP HBx 1.0 0.0 6.50 451 334 A 89 ASP H A 90 THR HG2% 1.0 0.0 6.50 452 335 A 90 THR H A 96 ALA HB% 1.0 0.0 6.00 453 336 A 90 THR H A 90 THR HG2% 1.0 0.0 5.00 454 337 A 90 THR HG2% A 92 TYR HE% 1.0 0.0 6.50 455 338 A 90 THR HG2% A 96 ALA HA 1.0 0.0 6.50 456 339 A 89 ASP HA A 90 THR HG2% 1.0 0.0 6.50 457 340 A 90 THR HG2% A 92 TYR H 1.0 0.0 6.50 458 341 A 92 TYR HA A 90 THR HG2% 1.0 0.0 6.50 459 342 A 90 THR HG2% A 92 TYR HBx 1.0 0.0 6.50 460 342 A 92 TYR HBy A 90 THR HG2% 1.0 0.0 6.50 461 343 A 87 VAL HG2% A 90 THR HG2% 1.0 0.0 6.50 462 344 A 90 THR HG2% A 91 ASP HBx 1.0 0.0 6.50 463 345 A 90 THR HG2% A 91 ASP H 1.0 0.0 5.50 464 346 A 90 THR HG2% A 97 VAL H 1.0 0.0 6.50 465 347 A 90 THR HG2% A 96 ALA HB% 1.0 0.0 6.50 466 348 A 96 ALA HB% A 91 ASP H 1.0 0.0 5.70 467 349 A 93 LYS H A 93 LYS HBx 1.0 0.0 4.50 468 349 A 93 LYS H A 93 LYS HBy 1.0 0.0 4.50 469 350 A 93 LYS H A 92 TYR HBx 1.0 0.0 6.50 470 350 A 92 TYR HBy A 93 LYS H 1.0 0.0 6.50 471 351 A 95 TYR H A 93 LYS HBx 1.0 0.0 5.50 472 351 A 93 LYS HBy A 95 TYR H 1.0 0.0 5.50 473 352 A 95 TYR H A 128 ILE HG2% 1.0 0.0 7.50 474 353 A 95 TYR HD% A 125 ALA HB% 1.0 0.0 6.50 475 354 A 125 ALA HB% A 95 TYR HE% 1.0 0.0 6.50 476 355 A 96 ALA HB% A 97 VAL H 1.0 0.0 5.00 477 356 A 90 THR HG2% A 97 VAL H 1.0 0.0 6.50 478 357 A 97 VAL H A 97 VAL HG1% 1.0 0.0 5.50 479 358 A 97 VAL HG2% A 129 PHE HBx 1.0 0.0 6.50 480 358 A 97 VAL HG2% A 129 PHE HBy 1.0 0.0 6.50 481 359 A 97 VAL HG1% A 129 PHE HBx 1.0 0.0 6.50 482 359 A 97 VAL HG1% A 129 PHE HBy 1.0 0.0 6.50 483 360 A 128 ILE HG2% A 97 VAL HG1% 1.0 0.0 6.00 484 361 A 128 ILE HG2% A 97 VAL HG2% 1.0 0.0 6.50 485 362 A 97 VAL HG1% A 98 ILE H 1.0 0.0 6.50 486 363 A 97 VAL HG2% A 98 ILE H 1.0 0.0 6.50 487 364 A 98 ILE HG2% A 98 ILE H 1.0 0.0 5.50 488 365 A 98 ILE H A 98 ILE HD1% 1.0 0.0 6.00 489 366 A 98 ILE HG2% A 99 TYR H 1.0 0.0 6.00 490 367 A 98 ILE HD1% A 87 VAL HA 1.0 0.0 5.50 491 368 A 98 ILE HG2% A 87 VAL HA 1.0 0.0 6.50 492 369 A 99 TYR HE% A 99 TYR HD1 1.0 2.0 5.50 493 370 A 100 ALA H A 112 MET HGx 1.0 0.0 6.50 494 370 A 112 MET HGy A 100 ALA H 1.0 0.0 6.50 495 371 A 100 ALA H A 100 ALA HB% 1.0 0.0 5.00 496 372 A 100 ALA HB% A 101 THR H 1.0 0.0 5.50 497 373 A 86 GLU H A 100 ALA HB% 1.0 0.0 6.50 498 374 A 100 ALA HB% A 85 VAL HA 1.0 0.0 6.50 499 375 A 100 ALA HB% A 99 TYR HA 1.0 0.0 6.50 500 376 A 101 THR H A 101 THR HG2% 1.0 0.0 6.00 501 377 A 85 VAL HG1% A 101 THR H 1.0 0.0 6.50 502 378 A 101 THR HG2% A 102 ARG H 1.0 0.0 5.00 503 379 A 101 THR HG2% A 100 ALA HA 1.0 0.0 6.50 504 380 A 102 ARG H A 102 ARG HDx 1.0 0.0 6.50 505 380 A 102 ARG H A 102 ARG HDy 1.0 0.0 6.50 506 381 A 102 ARG H A 108 THR HG2% 1.0 0.0 6.50 507 382 A 103 VAL H A 103 VAL HG1% 1.0 0.0 5.00 508 383 A 103 VAL H A 103 VAL HG2% 1.0 0.0 6.00 509 384 A 103 VAL HG2% A 104 LYS H 1.0 0.0 5.00 510 385 A 103 VAL HG2% A 107 ARG H 1.0 0.0 5.50 511 386 A 104 LYS H A 104 LYS HBx 1.0 0.0 5.00 512 386 A 104 LYS H A 104 LYS HBy 1.0 0.0 5.00 513 387 A 103 VAL HG2% A 106 GLY H 1.0 0.0 6.50 514 388 A 107 ARG H A 107 ARG HBx 1.0 0.0 4.00 515 388 A 107 ARG H A 107 ARG HBy 1.0 0.0 4.00 516 389 A 107 ARG H A 107 ARG HDx 1.0 0.0 5.50 517 389 A 107 ARG H A 107 ARG HDy 1.0 0.0 5.50 518 390 A 108 THR HG2% A 108 THR H 1.0 0.0 5.00 519 391 A 109 LEU HD2% A 109 LEU H 1.0 0.0 6.00 520 392 A 109 LEU HD1% A 109 LEU HA 1.0 0.0 6.50 521 393 A 109 LEU HD1% A 110 HIS H 1.0 0.0 5.50 522 394 A 109 LEU HD2% A 110 HIS H 1.0 0.0 6.50 523 395 A 109 LEU HD2% A 102 ARG HA 1.0 0.0 6.50 524 396 A 109 LEU HD2% A 22 THR HA 1.0 0.0 6.50 525 397 A 101 THR HG2% A 110 HIS HA 1.0 0.0 6.50 526 398 A 100 ALA HB% A 110 HIS HA 1.0 0.0 6.50 527 399 A 112 MET H A 112 MET HGx 1.0 0.0 5.50 528 399 A 112 MET HGy A 112 MET H 1.0 0.0 5.50 529 400 A 113 ARG H A 112 MET HGx 1.0 0.0 6.00 530 400 A 112 MET HGy A 113 ARG H 1.0 0.0 6.00 531 401 A 132 LEU HD1% A 112 MET HGx 1.0 0.0 6.50 532 401 A 112 MET HGy A 132 LEU HD1% 1.0 0.0 6.50 533 402 A 143 VAL HG2% A 112 MET HGx 1.0 0.0 6.50 534 402 A 112 MET HGy A 143 VAL HG2% 1.0 0.0 6.50 535 403 A 99 TYR HA A 112 MET HGx 1.0 0.0 6.50 536 403 A 112 MET HGy A 99 TYR HA 1.0 0.0 6.50 537 404 A 113 ARG H A 112 MET HE% 1.0 0.0 6.50 538 405 A 112 MET HE% A 133 ALA H 1.0 0.0 6.00 539 406 A 112 MET HE% A 132 LEU H 1.0 0.0 6.50 540 407 A 112 MET HE% A 97 VAL HA 1.0 0.0 6.50 541 408 A 99 TYR HA A 112 MET HE% 1.0 0.0 6.50 542 409 A 112 MET HE% A 97 VAL HB 1.0 0.0 6.50 543 410 A 99 TYR HBy A 112 MET HE% 1.0 0.0 6.50 544 411 A 112 MET HE% A 133 ALA HA 1.0 0.0 5.50 545 412 A 132 LEU HD1% A 112 MET HE% 1.0 0.0 5.50 546 413 A 114 LEU H A 114 LEU HBx 1.0 0.0 5.00 547 413 A 114 LEU HBy A 114 LEU H 1.0 0.0 5.00 548 414 A 115 TYR H A 114 LEU HBx 1.0 0.0 6.00 549 414 A 114 LEU HBy A 115 TYR H 1.0 0.0 6.00 550 415 A 114 LEU HD2% A 129 PHE HBx 1.0 0.0 5.50 551 415 A 129 PHE HBy A 114 LEU HD2% 1.0 0.0 5.50 552 416 A 115 TYR H A 114 LEU HD1% 1.0 0.0 5.50 553 417 A 114 LEU HD1% A 129 PHE HBx 1.0 0.0 6.50 554 417 A 129 PHE HBy A 114 LEU HD1% 1.0 0.0 6.50 555 418 A 114 LEU HD2% A 129 PHE H 1.0 0.0 6.00 556 419 A 17 ALA H A 114 LEU HD2% 1.0 0.0 6.50 557 420 A 114 LEU HD2% A 129 PHE HD% 1.0 0.0 6.50 558 421 A 114 LEU HD2% A 129 PHE HE% 1.0 0.0 6.50 559 422 A 114 LEU HD2% A 129 PHE HA 1.0 0.0 5.50 560 423 A 114 LEU HD2% A 126 THR HB 1.0 0.0 5.50 561 424 A 114 LEU HD2% A 16 VAL HB 1.0 0.0 6.50 562 425 A 115 TYR H A 114 LEU HD1% 1.0 0.0 6.50 563 426 A 16 VAL HG1% A 116 SER H 1.0 0.0 6.50 564 427 A 16 VAL HG1% A 116 SER HBx 1.0 0.0 6.50 565 428 A 16 VAL HG1% A 116 SER HBy 1.0 0.0 6.50 566 429 A 117 ARG H A 117 ARG HDx 1.0 0.0 6.00 567 429 A 117 ARG H A 117 ARG HDy 1.0 0.0 6.00 568 430 A 9 ILE HG2% A 117 ARG HDx 1.0 0.0 6.50 569 430 A 9 ILE HG2% A 117 ARG HDy 1.0 0.0 6.50 570 431 A 120 GLU H A 118 SER HBx 1.0 0.0 4.50 571 431 A 118 SER HBy A 120 GLU H 1.0 0.0 4.50 572 432 A 14 TYR HE% A 119 PRO HBy 1.0 0.0 6.50 573 433 A 14 TYR HE% A 119 PRO HBy 1.0 0.0 6.50 574 434 A 14 TYR HE% A 119 PRO HGy 1.0 0.0 6.50 575 435 A 14 TYR HE% A 119 PRO HGx 1.0 0.0 6.50 576 436 A 14 TYR HE% A 119 PRO HDy 1.0 0.0 6.50 577 437 A 14 TYR HE% A 119 PRO HDx 1.0 0.0 6.50 578 438 A 121 VAL H A 121 VAL HG1% 1.0 0.0 5.00 579 439 A 121 VAL H A 121 VAL HG2% 1.0 0.0 4.50 580 440 A 121 VAL HG1% A 122 SER H 1.0 0.0 4.50 581 441 A 121 VAL HG2% A 122 SER H 1.0 0.0 5.50 582 442 A 124 ALA H A 124 ALA HB% 1.0 0.0 4.50 583 443 A 124 ALA HB% A 125 ALA H 1.0 0.0 4.50 584 444 A 124 ALA HB% A 125 ALA HA 1.0 0.0 6.50 585 445 A 124 ALA HB% A 126 THR H 1.0 0.0 6.50 586 446 A 125 ALA HB% A 125 ALA H 1.0 0.0 4.50 587 447 A 125 ALA HB% A 95 TYR HBy 1.0 0.0 6.50 588 448 A 125 ALA HB% A 95 TYR HBx 1.0 0.0 6.50 589 449 A 125 ALA HB% A 126 THR H 1.0 0.0 4.50 590 450 A 125 ALA HB% A 114 LEU HD2% 1.0 0.0 6.50 591 451 A 16 VAL HG2% A 125 ALA HB% 1.0 0.0 6.50 592 452 A 114 LEU HD2% A 126 THR H 1.0 0.0 6.50 593 453 A 126 THR HB A 129 PHE HBx 1.0 0.0 7.00 594 453 A 129 PHE HBy A 126 THR HB 1.0 0.0 7.00 595 454 A 126 THR HB A 145 MET HE% 1.0 0.0 7.00 596 455 A 126 THR HG2% A 127 ALA H 1.0 0.0 5.00 597 456 A 126 THR HG2% A 145 MET H 1.0 0.0 6.50 598 457 A 126 THR HG2% A 129 PHE HBx 1.0 0.0 6.50 599 457 A 129 PHE HBy A 126 THR HG2% 1.0 0.0 6.50 600 458 A 145 MET HE% A 126 THR HG2% 1.0 0.0 6.50 601 459 A 114 LEU HD2% A 126 THR HG2% 1.0 0.0 6.50 602 460 A 127 ALA H A 127 ALA HB% 1.0 0.0 4.50 603 461 A 127 ALA HB% A 128 ILE H 1.0 0.0 6.50 604 462 A 127 ALA HB% A 129 PHE HBx 1.0 0.0 6.50 605 462 A 129 PHE HBy A 127 ALA HB% 1.0 0.0 6.50 606 463 A 128 ILE H A 128 ILE HD1% 1.0 0.0 5.50 607 464 A 128 ILE HG2% A 129 PHE H 1.0 0.0 5.50 608 465 A 128 ILE HG2% A 89 ASP HBy 1.0 0.0 6.50 609 466 A 89 ASP HBx A 128 ILE HG2% 1.0 0.0 6.50 610 467 A 128 ILE HG2% A 129 PHE HA 1.0 0.0 5.50 611 468 A 128 ILE HG2% A 125 ALA HA 1.0 0.0 6.50 612 469 A 128 ILE HG2% A 129 PHE HBx 1.0 0.0 6.50 613 469 A 128 ILE HG2% A 129 PHE HBy 1.0 0.0 6.50 614 470 A 128 ILE HD1% A 131 LYS HA 1.0 0.0 6.50 615 471 A 125 ALA HA A 128 ILE HD1% 1.0 0.0 7.00 616 472 A 128 ILE HD1% A 129 PHE HBx 1.0 0.0 6.50 617 472 A 129 PHE HBy A 128 ILE HD1% 1.0 0.0 6.50 618 473 A 129 PHE H A 129 PHE HBx 1.0 0.0 4.50 619 473 A 129 PHE HBy A 129 PHE H 1.0 0.0 4.50 620 474 A 130 ARG H A 129 PHE HBx 1.0 0.0 4.50 621 474 A 129 PHE HBy A 130 ARG H 1.0 0.0 4.50 622 475 A 131 LYS H A 129 PHE HBx 1.0 0.0 6.00 623 475 A 129 PHE HBy A 131 LYS H 1.0 0.0 6.00 624 476 A 130 ARG H A 130 ARG HGx 1.0 0.0 5.00 625 476 A 130 ARG H A 130 ARG HGy 1.0 0.0 5.00 626 477 A 131 LYS H A 131 LYS HBx 1.0 0.0 4.00 627 477 A 131 LYS H A 131 LYS HBy 1.0 0.0 4.00 628 478 A 131 LYS H A 132 LEU HD2% 1.0 0.0 6.00 629 479 A 131 LYS HA A 133 ALA HB% 1.0 0.0 6.50 630 480 A 132 LEU H A 131 LYS HBx 1.0 0.0 4.50 631 480 A 132 LEU H A 131 LYS HBy 1.0 0.0 4.50 632 481 A 132 LEU H A 132 LEU HD2% 1.0 0.0 4.50 633 482 A 133 ALA H A 132 LEU HBx 1.0 0.0 6.50 634 482 A 133 ALA H A 132 LEU HBy 1.0 0.0 6.50 635 483 A 133 ALA H A 133 ALA HB% 1.0 0.0 4.50 636 484 A 133 ALA HA A 138 TYR HD% 1.0 0.0 6.50 637 485 A 133 ALA HA A 129 PHE HE% 1.0 0.0 6.50 638 486 A 133 ALA HA A 138 TYR HBx 1.0 0.0 6.50 639 486 A 133 ALA HA A 138 TYR HBy 1.0 0.0 6.50 640 487 A 133 ALA HB% A 134 GLY H 1.0 0.0 5.00 641 488 A 133 ALA HB% A 135 GLU H 1.0 0.0 5.50 642 489 A 133 ALA HB% A 136 ARG H 1.0 0.0 5.50 643 490 A 112 MET HE% A 133 ALA HB% 1.0 0.0 6.50 644 491 A 133 ALA HB% A 138 TYR HA 1.0 0.0 6.50 645 492 A 133 ALA HB% A 138 TYR HBx 1.0 0.0 5.00 646 492 A 133 ALA HB% A 138 TYR HBy 1.0 0.0 5.00 647 493 A 133 ALA HB% A 130 ARG HA 1.0 0.0 4.50 648 494 A 133 ALA HB% A 130 ARG HBx 1.0 0.0 6.50 649 495 A 133 ALA HB% A 138 TYR HD% 1.0 0.0 4.50 650 496 A 133 ALA HB% A 138 TYR HE% 1.0 0.0 6.50 651 497 A 134 GLY H A 134 GLY HAx 1.0 0.0 4.00 652 497 A 134 GLY H A 134 GLY HAy 1.0 0.0 4.00 653 498 A 135 GLU H A 135 GLU HGx 1.0 0.0 4.50 654 498 A 135 GLU H A 135 GLU HGy 1.0 0.0 4.50 655 499 A 135 GLU H A 135 GLU HBx 1.0 0.0 4.00 656 499 A 135 GLU H A 135 GLU HBy 1.0 0.0 4.00 657 500 A 135 GLU H A 136 ARG HBx 1.0 0.0 5.50 658 500 A 135 GLU H A 136 ARG HBy 1.0 0.0 5.50 659 501 A 136 ARG H A 135 GLU HGx 1.0 0.0 6.50 660 501 A 136 ARG H A 135 GLU HGy 1.0 0.0 6.50 661 502 A 136 ARG H A 136 ARG HDx 1.0 0.0 5.50 662 502 A 136 ARG H A 136 ARG HDy 1.0 0.0 5.50 663 503 A 136 ARG H A 136 ARG HBx 1.0 0.0 4.00 664 503 A 136 ARG H A 136 ARG HBy 1.0 0.0 4.00 665 504 A 137 ASN H A 136 ARG HBx 1.0 0.0 5.00 666 504 A 136 ARG HBy A 137 ASN H 1.0 0.0 5.00 667 505 A 137 ASN H A 134 GLY HAx 1.0 0.0 6.50 668 505 A 134 GLY HAy A 137 ASN H 1.0 0.0 6.50 669 506 A 138 TYR H A 138 TYR HBx 1.0 0.0 4.50 670 506 A 138 TYR HBy A 138 TYR H 1.0 0.0 4.50 671 507 A 138 TYR H A 134 GLY HAx 1.0 0.0 5.50 672 507 A 134 GLY HAy A 138 TYR H 1.0 0.0 5.50 673 508 A 133 ALA HB% A 138 TYR H 1.0 0.0 5.00 674 509 A 138 TYR HD% A 138 TYR HA 1.0 0.0 4.50 675 510 A 139 THR H A 139 THR HG2% 1.0 0.0 5.00 676 511 A 139 THR HG2% A 140 ASP H 1.0 0.0 5.00 677 512 A 139 THR HG2% A 141 GLU H 1.0 0.0 6.00 678 513 A 142 MET HE% A 139 THR HG2% 1.0 0.0 5.50 679 514 A 138 TYR HA A 139 THR HG2% 1.0 0.0 6.50 680 515 A 140 ASP H A 140 ASP HBx 1.0 0.0 4.00 681 515 A 140 ASP H A 140 ASP HBy 1.0 0.0 4.00 682 516 A 143 VAL HG2% A 140 ASP HA 1.0 0.0 6.50 683 517 A 141 GLU H A 140 ASP HBx 1.0 0.0 4.50 684 517 A 141 GLU H A 140 ASP HBy 1.0 0.0 4.50 685 518 A 141 GLU H A 141 GLU HGx 1.0 0.0 4.50 686 518 A 141 GLU H A 141 GLU HGy 1.0 0.0 4.50 687 519 A 142 MET H A 141 GLU HGx 1.0 0.0 5.50 688 519 A 142 MET H A 141 GLU HGy 1.0 0.0 5.50 689 520 A 142 MET H A 142 MET HBx 1.0 0.0 4.50 690 520 A 142 MET H A 142 MET HBy 1.0 0.0 4.50 691 521 A 26 LEU HD1% A 142 MET HGy 1.0 0.0 6.50 692 522 A 26 LEU HD2% A 142 MET HGx 1.0 0.0 6.50 693 523 A 26 LEU HD2% A 142 MET HGx 1.0 0.0 6.50 694 524 A 142 MET HE% A 21 ASN HA 1.0 0.0 5.50 695 525 A 142 MET HE% A 21 ASN HBy 1.0 0.0 5.50 696 526 A 142 MET HE% A 21 ASN HBx 1.0 0.0 5.50 697 527 A 142 MET HE% A 23 GLU HA 1.0 0.0 6.50 698 528 A 143 VAL HG2% A 143 VAL H 1.0 0.0 5.50 699 529 A 142 MET HE% A 143 VAL H 1.0 0.0 6.50 700 530 A 143 VAL HG1% A 144 ALA H 1.0 0.0 5.00 701 531 A 145 MET H A 143 VAL HG1% 1.0 0.0 6.00 702 532 A 130 ARG HA A 143 VAL HG1% 1.0 0.0 6.50 703 533 A 143 VAL HG1% A 142 MET HGx 1.0 0.0 6.50 704 534 A 143 VAL HG2% A 144 ALA H 1.0 0.0 6.00 705 535 A 143 VAL HG2% A 145 MET HE% 1.0 0.0 6.50 706 536 A 144 ALA H A 144 ALA HB% 1.0 0.0 5.00 707 537 A 145 MET H A 144 ALA HB% 1.0 0.0 4.89 708 538 A 18 LEU H A 144 ALA HB% 1.0 0.0 5.50 709 539 A 29 LYS H A 144 ALA HB% 1.0 0.0 6.50 710 540 A 29 LYS HBx A 144 ALA HB% 1.0 0.0 6.50 711 541 A 144 ALA HB% A 29 LYS HEx 1.0 0.0 6.50 712 541 A 144 ALA HB% A 29 LYS HEy 1.0 0.0 6.50 713 542 A 145 MET H A 145 MET HBx 1.0 0.0 4.50 714 542 A 145 MET H A 145 MET HBy 1.0 0.0 4.50 715 543 A 145 MET HE% A 17 ALA HA 1.0 0.0 6.50 716 544 A 145 MET HE% A 146 LEU H 1.0 0.0 5.50 717 545 A 145 MET HE% A 126 THR HA 1.0 0.0 6.50 718 546 A 114 LEU HD2% A 145 MET HE% 1.0 0.0 6.50 719 547 A 146 LEU HD2% A 146 LEU H 1.0 0.0 5.50 720 548 A 146 LEU HD1% A 34 MET HA 1.0 0.0 6.50 721 549 A 146 LEU HD2% A 147 PRO HDx 1.0 0.0 6.50 722 549 A 146 LEU HD2% A 147 PRO HDy 1.0 0.0 6.50 723 550 A 146 LEU HD2% A 34 MET HA 1.0 0.0 6.50 724 551 A 146 LEU HD2% A 31 LYS HEx 1.0 0.0 6.50 725 551 A 146 LEU HD2% A 31 LYS HEy 1.0 0.0 6.50 726 552 A 146 LEU HD2% A 16 VAL HB 1.0 0.0 6.50 727 553 A 148 ARG H A 147 PRO HGx 1.0 0.0 5.00 728 553 A 147 PRO HGy A 148 ARG H 1.0 0.0 5.00 729 554 A 146 LEU HD2% A 147 PRO HGx 1.0 0.0 6.50 730 554 A 146 LEU HD2% A 147 PRO HGy 1.0 0.0 6.50 731 555 A 148 ARG H A 148 ARG HDx 1.0 0.0 5.00 732 555 A 148 ARG H A 148 ARG HDy 1.0 0.0 5.00 733 556 A 148 ARG H A 148 ARG HBx 1.0 0.0 4.00 734 556 A 148 ARG H A 148 ARG HBy 1.0 0.0 4.00 735 557 A 149 GLN H A 148 ARG HBx 1.0 0.0 5.50 736 557 A 148 ARG HBy A 149 GLN H 1.0 0.0 5.50 737 558 A 149 GLN H A 148 ARG HGx 1.0 0.0 5.50 738 558 A 149 GLN H A 148 ARG HGy 1.0 0.0 5.50 739 559 A 150 GLU H A 149 GLN HBx 1.0 0.0 4.50 740 559 A 149 GLN HBy A 150 GLU H 1.0 0.0 4.50 741 560 A 149 GLN H A 149 GLN HBx 1.0 0.0 4.50 742 560 A 149 GLN H A 149 GLN HBy 1.0 0.0 4.50 743 561 A 151 GLU H A 151 GLU HBx 1.0 0.0 4.00 744 561 A 151 GLU H A 151 GLU HBy 1.0 0.0 4.00 745 562 A 151 GLU H A 153 THR HG2% 1.0 0.0 6.00 746 563 A 152 CYS H A 151 GLU HBx 1.0 0.0 5.00 747 563 A 151 GLU HBy A 152 CYS H 1.0 0.0 5.00 748 564 A 153 THR HG2% A 152 CYS H 1.0 0.0 6.00 749 565 A 153 THR HG2% A 153 THR H 1.0 0.0 5.00 750 566 A 154 VAL HG1% A 153 THR HB 1.0 0.0 6.50 751 567 A 153 THR HG2% A 154 VAL H 1.0 0.0 5.50 752 568 A 153 THR HG2% A 152 CYS H 1.0 0.0 5.50 753 569 A 150 GLU HA A 153 THR HG2% 1.0 0.0 5.50 754 570 A 153 THR HG2% A 152 CYS HBy 1.0 0.0 6.50 755 571 A 153 THR HG2% A 152 CYS HBx 1.0 0.0 6.50 756 572 A 153 THR HG2% A 36 MET HGx 1.0 0.0 6.50 757 572 A 36 MET HGy A 153 THR HG2% 1.0 0.0 6.50 758 573 A 154 VAL H A 36 MET HGx 1.0 0.0 6.50 759 573 A 36 MET HGy A 154 VAL H 1.0 0.0 6.50 760 574 A 154 VAL HG1% A 154 VAL H 1.0 0.0 4.50 761 575 A 154 VAL HG1% A 155 ASP H 1.0 0.0 5.00 762 576 A 154 VAL HG2% A 156 GLU H 1.0 0.0 6.00 763 577 A 154 VAL HG2% A 155 ASP HA 1.0 0.0 6.50 764 578 A 157 VAL H A 157 VAL HG11 1.0 0.0 5.00 765 578 A 157 VAL H A 157 VAL HG21 1.0 0.0 5.00 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 7 SER H A 8 GLU H 1.0 0.0 4.50 2 2 A 7 SER H A 9 ILE H 1.0 0.0 5.50 3 3 A 7 SER H A 7 SER HA 1.0 0.0 3.50 4 4 A 9 ILE H A 7 SER HA 1.0 0.0 5.00 5 5 A 8 GLU H A 9 ILE H 1.0 0.0 4.40 6 6 A 8 GLU H A 10 ALA H 1.0 0.0 5.50 7 7 A 9 ILE H A 9 ILE HB 1.0 0.0 3.50 8 8 A 10 ALA H A 9 ILE HA 1.0 0.0 3.50 9 9 A 10 ALA H A 9 ILE HB 1.0 0.0 4.50 10 10 A 10 ALA H A 11 GLY H 1.0 0.0 5.00 11 11 A 11 GLY H A 38 ARG HA 1.0 0.0 5.50 12 12 A 11 GLY H A 10 ALA HA 1.0 0.0 3.50 13 13 A 11 GLY HAy A 12 LYS H 1.0 0.0 4.50 14 14 A 12 LYS H A 11 GLY HAx 1.0 0.0 3.50 15 15 A 12 LYS H A 12 LYS HBy 1.0 0.0 3.50 16 16 A 13 TRP H A 12 LYS H 1.0 0.0 5.00 17 17 A 13 TRP H A 12 LYS HBy 1.0 0.0 4.50 18 18 A 13 TRP H A 38 ARG HA 1.0 0.0 5.00 19 19 A 13 TRP H A 12 LYS HA 1.0 0.0 2.50 20 20 A 14 TYR H A 13 TRP HBy 1.0 0.0 5.00 21 21 A 13 TRP HE1 A 39 ILE H 1.0 0.0 5.50 22 22 A 13 TRP HE1 A 9 ILE HG1y 1.0 0.0 5.50 23 23 A 13 TRP HE1 A 9 ILE HB 1.0 0.0 5.50 24 24 A 9 ILE HA A 13 TRP HE1 1.0 0.0 5.50 25 25 A 13 TRP HD1 A 38 ARG HA 1.0 0.0 6.00 26 26 A 13 TRP HD1 A 9 ILE HG1y 1.0 0.0 5.50 27 27 A 13 TRP HD1 A 39 ILE H 1.0 0.0 5.50 28 28 A 13 TRP HZ2 A 39 ILE HA 1.0 0.5 6.00 29 29 A 13 TRP HZ2 A 9 ILE HG1y 1.0 0.0 5.50 30 30 A 14 TYR H A 13 TRP HA 1.0 0.0 2.50 31 31 A 14 TYR H A 117 ARG HA 1.0 0.0 4.50 32 32 A 14 TYR H A 116 SER H 1.0 0.0 4.50 33 33 A 14 TYR H A 115 TYR HA 1.0 0.0 5.50 34 34 A 14 TYR H A 15 VAL H 1.0 0.0 5.50 35 35 A 15 VAL H A 15 VAL HB 1.0 0.0 3.50 36 36 A 15 VAL H A 14 TYR HA 1.0 0.0 2.50 37 37 A 15 VAL H A 36 MET HA 1.0 0.0 4.50 38 38 A 15 VAL H A 14 TYR HBy 1.0 0.0 4.50 39 39 A 15 VAL H A 14 TYR HBx 1.0 0.0 4.50 40 40 A 16 VAL H A 15 VAL HA 1.0 0.0 2.50 41 41 A 16 VAL H A 17 ALA H 1.0 0.0 3.50 42 42 A 16 VAL H A 115 TYR HA 1.0 0.0 5.50 43 43 A 17 ALA H A 16 VAL HB 1.0 0.0 5.00 44 44 A 16 VAL H A 17 ALA H 1.0 0.0 3.50 45 45 A 17 ALA H A 15 VAL HA 1.0 0.0 4.00 46 46 A 17 ALA H A 16 VAL HA 1.0 0.0 4.50 47 47 A 17 ALA H A 114 LEU H 1.0 0.0 4.50 48 48 A 17 ALA H A 114 LEU HA 1.0 0.0 5.50 49 49 A 115 TYR HA A 17 ALA H 1.0 0.0 5.50 50 50 A 18 LEU H A 17 ALA HA 1.0 0.0 2.50 51 51 A 18 LEU H A 144 ALA H 1.0 0.0 5.50 52 52 A 18 LEU H A 114 LEU H 1.0 0.0 5.50 53 53 A 18 LEU HA A 113 ARG HA 1.0 0.0 5.50 54 54 A 19 ALA H A 18 LEU HG 1.0 0.0 4.50 55 55 A 19 ALA H A 20 SER H 1.0 0.0 5.00 56 56 A 19 ALA H A 18 LEU HA 1.0 0.0 2.50 57 57 A 19 ALA H A 112 MET H 1.0 0.0 4.50 58 58 A 19 ALA H A 113 ARG HA 1.0 0.0 5.50 59 59 A 19 ALA HA A 143 VAL HA 1.0 0.0 5.50 60 60 A 20 SER H A 144 ALA H 1.0 0.0 5.50 61 61 A 20 SER H A 19 ALA HA 1.0 0.0 2.50 62 62 A 20 SER H A 143 VAL HA 1.0 0.0 4.50 63 63 A 20 SER H A 142 MET HA 1.0 0.0 5.50 64 64 A 21 ASN H A 20 SER HA 1.0 0.0 2.50 65 65 A 21 ASN H A 22 THR H 1.0 0.0 3.50 66 66 A 22 THR H A 23 GLU H 1.0 0.0 5.50 67 67 A 22 THR H A 21 ASN HA 1.0 0.0 4.50 68 68 A 22 THR H A 20 SER HA 1.0 0.0 4.50 69 69 A 22 THR H A 25 PHE H 1.0 0.0 5.50 70 70 A 22 THR H A 26 LEU H 1.0 0.0 5.50 71 71 A 23 GLU H A 22 THR HA 1.0 0.0 3.50 72 72 A 23 GLU H A 24 PHE H 1.0 0.0 4.50 73 73 A 23 GLU H A 25 PHE H 1.0 0.0 5.50 74 74 A 23 GLU H A 22 THR HA 1.0 0.0 3.50 75 75 A 25 PHE H A 23 GLU HA 1.0 0.0 4.50 76 76 A 26 LEU H A 23 GLU HA 1.0 0.0 5.50 77 77 A 25 PHE H A 24 PHE H 1.0 0.0 4.50 78 78 A 24 PHE H A 24 PHE HBy 1.0 0.0 4.00 79 79 A 24 PHE H A 24 PHE HBx 1.0 0.0 4.00 80 80 A 25 PHE H A 24 PHE HA 1.0 0.0 5.00 81 81 A 25 PHE H A 26 LEU H 1.0 0.0 4.00 82 82 A 25 PHE H A 24 PHE HBy 1.0 0.0 4.50 83 83 A 25 PHE H A 24 PHE HBx 1.0 0.0 4.50 84 84 A 26 LEU HBy A 26 LEU H 1.0 0.0 4.00 85 85 A 26 LEU H A 26 LEU HBx 1.0 0.0 4.00 86 86 A 26 LEU H A 27 ARG H 1.0 0.0 3.50 87 87 A 26 LEU HA A 27 ARG H 1.0 0.0 4.50 88 88 A 27 ARG H A 29 LYS H 1.0 0.0 4.50 89 89 A 26 LEU H A 28 GLU H 1.0 0.0 5.00 90 90 A 28 GLU H A 31 LYS H 1.0 0.0 5.50 91 91 A 28 GLU H A 29 LYS H 1.0 0.0 4.00 92 92 A 28 GLU H A 31 LYS H 1.0 0.0 5.50 93 93 A 28 GLU H A 27 ARG HA 1.0 0.0 4.50 94 94 A 26 LEU H A 29 LYS H 1.0 0.0 5.50 95 95 A 29 LYS H A 28 GLU HA 1.0 0.0 4.50 96 96 A 29 LYS H A 30 ASP H 1.0 0.0 4.00 97 97 A 29 LYS H A 31 LYS H 1.0 0.0 5.50 98 98 A 32 MET H A 29 LYS HA 1.0 0.0 4.50 99 99 A 31 LYS H A 29 LYS HA 1.0 0.0 5.00 100 100 A 31 LYS H A 29 LYS HBx 1.0 0.0 5.50 101 101 A 30 ASP H A 31 LYS H 1.0 0.0 4.50 102 102 A 30 ASP H A 32 MET H 1.0 0.0 5.50 103 103 A 31 LYS H A 32 MET H 1.0 0.0 3.50 104 104 A 31 LYS H A 30 ASP HBy 1.0 0.0 4.50 105 105 A 31 LYS H A 30 ASP HBx 1.0 0.0 4.50 106 106 A 32 MET H A 33 LYS H 1.0 0.0 4.50 107 107 A 33 LYS H A 34 MET H 1.0 0.0 4.50 108 108 A 35 ALA H A 34 MET H 1.0 0.0 5.50 109 109 A 149 GLN H A 34 MET HBy 1.0 0.0 5.50 110 110 A 16 VAL HA A 34 MET HBy 1.0 0.0 5.50 111 111 A 149 GLN H A 34 MET HBx 1.0 0.0 5.50 112 112 A 35 ALA H A 34 MET HGx 1.0 0.0 5.00 113 113 A 35 ALA H A 34 MET HGy 1.0 0.0 4.50 114 114 A 35 ALA H A 34 MET HA 1.0 0.0 2.50 115 115 A 15 VAL H A 35 ALA H 1.0 0.0 5.50 116 116 A 35 ALA H A 36 MET H 1.0 0.0 5.00 117 117 A 36 MET H A 35 ALA HA 1.0 0.0 3.50 118 118 A 36 MET H A 35 ALA HA 1.0 0.0 2.50 119 119 A 36 MET H A 52 ALA H 1.0 0.0 5.50 120 120 A 37 ALA H A 36 MET HA 1.0 0.0 2.50 121 121 A 37 ALA H A 38 ARG H 1.0 0.0 5.50 122 122 A 13 TRP H A 37 ALA H 1.0 0.0 5.50 123 123 A 12 LYS HA A 37 ALA HA 1.0 0.0 6.50 124 124 A 38 ARG H A 39 ILE H 1.0 0.0 5.00 125 125 A 38 ARG H A 50 SER H 1.0 0.0 4.00 126 126 A 37 ALA HA A 38 ARG H 1.0 0.0 2.50 127 127 A 38 ARG H A 49 VAL HA 1.0 0.0 5.00 128 128 A 38 ARG H A 50 SER HBy 1.0 0.0 5.00 129 129 A 38 ARG H A 50 SER HBx 1.0 0.0 4.50 130 130 A 38 ARG H A 51 TYR HA 1.0 0.0 4.50 131 131 A 38 ARG H A 38 ARG HBy 1.0 0.0 4.50 132 132 A 38 ARG H A 38 ARG HBx 1.0 0.0 4.00 133 133 A 12 LYS HA A 38 ARG HBy 1.0 0.0 5.50 134 134 A 12 LYS HA A 38 ARG HBx 1.0 0.0 5.50 135 135 A 50 SER HBy A 38 ARG HBy 1.0 0.0 5.50 136 136 A 50 SER HBx A 38 ARG HBy 1.0 0.0 5.50 137 137 A 39 ILE H A 40 SER H 1.0 0.0 5.50 138 138 A 39 ILE H A 38 ARG HA 1.0 0.0 2.50 139 139 A 13 TRP H A 39 ILE H 1.0 0.0 5.50 140 140 A 40 SER H A 39 ILE HG1y 1.0 0.0 4.50 141 141 A 40 SER H A 48 LYS H 1.0 0.0 4.50 142 142 A 40 SER H A 39 ILE HA 1.0 0.0 2.50 143 143 A 40 SER H A 39 ILE HB 1.0 0.0 4.50 144 144 A 41 PHE H A 40 SER HA 1.0 0.0 2.50 145 145 A 41 PHE H A 41 PHE HBy 1.0 0.0 4.00 146 146 A 41 PHE H A 41 PHE HBx 1.0 0.0 4.00 147 147 A 42 LEU H A 41 PHE HBy 1.0 0.0 4.50 148 148 A 42 LEU H A 41 PHE HBx 1.0 0.0 4.50 149 149 A 42 LEU H A 41 PHE HA 1.0 0.0 2.50 150 150 A 42 LEU H A 46 GLU H 1.0 0.0 5.50 151 151 A 42 LEU H A 47 LEU HA 1.0 0.0 4.50 152 152 A 42 LEU H A 43 GLY H 1.0 0.0 3.50 153 153 A 48 LYS H A 42 LEU H 1.0 0.0 5.50 154 154 A 42 LEU H A 42 LEU HBx 1.0 0.0 4.00 155 155 A 43 GLY H A 42 LEU HBy 1.0 0.0 3.50 156 156 A 43 GLY H A 42 LEU HBx 1.0 0.0 3.50 157 157 A 43 GLY H A 42 LEU HA 1.0 0.0 4.00 158 158 A 43 GLY H A 46 GLU H 1.0 0.0 5.50 159 159 A 43 GLY H A 44 GLU H 1.0 0.0 5.50 160 160 A 43 GLY H A 41 PHE HBy 1.0 0.0 5.50 161 161 A 43 GLY H A 41 PHE HBx 1.0 0.0 5.50 162 162 A 44 GLU H A 45 ASP H 1.0 0.0 3.50 163 163 A 44 GLU H A 46 GLU H 1.0 0.0 4.50 164 164 A 45 ASP H A 46 GLU H 1.0 0.0 3.50 165 165 A 45 ASP H A 44 GLU HA 1.0 0.0 4.00 166 166 A 45 ASP H A 45 ASP HBy 1.0 0.0 4.00 167 167 A 45 ASP H A 45 ASP HBx 1.0 0.0 4.00 168 168 A 68 LYS H A 45 ASP HBx 1.0 0.0 4.50 169 169 A 68 LYS H A 45 ASP HBy 1.0 0.0 4.50 170 170 A 46 GLU H A 45 ASP HA 1.0 0.0 3.50 171 171 A 46 GLU H A 47 LEU H 1.0 0.0 4.50 172 172 A 47 LEU H A 46 GLU HA 1.0 0.0 3.50 173 173 A 68 LYS H A 46 GLU HA 1.0 0.0 5.50 174 174 A 47 LEU H A 66 PHE H 1.0 0.0 4.50 175 175 A 47 LEU H A 46 GLU HA 1.0 0.0 2.50 176 176 A 47 LEU H A 47 LEU HG 1.0 0.0 4.13 177 177 A 47 LEU H A 66 PHE HBy 1.0 0.0 5.50 178 178 A 47 LEU H A 66 PHE HBx 1.0 0.0 5.50 179 179 A 41 PHE HA A 47 LEU HBx 1.0 0.0 5.50 180 180 A 41 PHE HA A 47 LEU HBy 1.0 0.0 5.50 181 181 A 48 LYS H A 47 LEU HBx 1.0 0.0 3.68 182 182 A 48 LYS H A 47 LEU HA 1.0 0.0 2.50 183 183 A 48 LYS H A 41 PHE HA 1.0 0.0 4.50 184 184 A 48 LYS H A 48 LYS HBy 1.0 0.0 4.00 185 185 A 48 LYS H A 48 LYS HBx 1.0 0.0 3.50 186 186 A 40 SER HBy A 48 LYS HBy 1.0 0.0 5.50 187 187 A 48 LYS HBy A 40 SER HBx 1.0 0.0 5.50 188 188 A 40 SER HBy A 48 LYS HBx 1.0 0.0 5.50 189 189 A 48 LYS HBx A 40 SER HBx 1.0 0.0 5.50 190 190 A 66 PHE H A 49 VAL H 1.0 0.0 4.50 191 191 A 49 VAL H A 48 LYS HA 1.0 0.0 2.50 192 192 A 49 VAL H A 50 SER H 1.0 0.0 4.50 193 193 A 49 VAL H A 65 THR HA 1.0 0.0 4.50 194 194 A 49 VAL H A 49 VAL HB 1.0 0.0 4.50 195 195 A 50 SER H A 49 VAL HA 1.0 0.0 2.50 196 196 A 50 SER H A 50 SER HBy 1.0 0.0 4.00 197 197 A 50 SER H A 50 SER HBx 1.0 0.0 4.00 198 198 A 50 SER H A 49 VAL HB 1.0 0.0 5.50 199 199 A 50 SER HBy A 51 TYR H 1.0 0.0 5.00 200 200 A 50 SER HBy A 38 ARG HBx 1.0 0.0 5.50 201 201 A 50 SER HBy A 38 ARG HBy 1.0 0.0 5.50 202 202 A 50 SER HBy A 63 GLU HBy 1.0 0.0 5.50 203 203 A 50 SER HBy A 63 GLU HA 1.0 0.0 5.50 204 204 A 50 SER HBx A 51 TYR H 1.0 0.0 5.00 205 205 A 50 SER HBx A 38 ARG HBx 1.0 0.0 5.50 206 206 A 50 SER HBx A 38 ARG HBy 1.0 0.0 5.50 207 207 A 50 SER HBx A 63 GLU HBy 1.0 0.0 5.50 208 208 A 50 SER HBx A 63 GLU HA 1.0 0.0 5.50 209 209 A 62 TRP H A 51 TYR H 1.0 0.0 5.50 210 210 A 51 TYR H A 50 SER HA 1.0 0.0 2.50 211 211 A 51 TYR H A 63 GLU HA 1.0 0.0 5.50 212 212 A 52 ALA H A 51 TYR HA 1.0 0.0 2.50 213 213 A 37 ALA HA A 52 ALA H 1.0 0.0 4.50 214 214 A 52 ALA HA A 61 LYS HA 1.0 0.0 5.50 215 215 A 52 ALA HA A 53 VAL H 1.0 0.0 2.50 216 216 A 55 LYS H A 54 PRO HA 1.0 0.0 3.50 217 217 A 35 ALA HA A 54 PRO HDy 1.0 0.0 5.50 218 218 A 35 ALA HA A 54 PRO HDx 1.0 0.0 5.50 219 219 A 55 LYS H A 56 PRO HDy 1.0 0.0 5.50 220 220 A 55 LYS H A 60 ARG H 1.0 0.0 4.50 221 221 A 55 LYS H A 58 GLY H 1.0 0.0 4.50 222 222 A 57 ASN H A 58 GLY H 1.0 0.0 3.50 223 223 A 57 ASN H A 56 PRO HA 1.0 0.0 4.50 224 224 A 58 GLY H A 55 LYS HA 1.0 0.0 5.50 225 225 A 58 GLY H A 57 ASN HA 1.0 0.0 3.50 226 226 A 60 ARG H A 61 LYS H 1.0 0.0 4.50 227 227 A 60 ARG H A 59 CYS HA 1.0 0.0 2.50 228 228 A 61 LYS H A 60 ARG HA 1.0 0.0 2.50 229 229 A 61 LYS H A 61 LYS HBx 1.0 0.0 3.50 230 230 A 62 TRP H A 61 LYS H 1.0 0.0 5.50 231 231 A 62 TRP H A 61 LYS HBy 1.0 0.0 4.00 232 232 A 62 TRP H A 61 LYS HBx 1.0 0.0 4.50 233 233 A 62 TRP H A 61 LYS HA 1.0 0.0 2.50 234 234 A 63 GLU H A 62 TRP HD1 1.0 0.0 5.50 235 235 A 63 GLU H A 62 TRP HA 1.0 0.0 2.50 236 236 A 63 GLU H A 63 GLU HBy 1.0 0.0 4.00 237 237 A 62 TRP H A 63 GLU H 1.0 0.0 4.50 238 238 A 63 GLU H A 64 THR H 1.0 0.0 4.50 239 239 A 50 SER HBy A 63 GLU HA 1.0 0.0 5.50 240 240 A 64 THR H A 65 THR H 1.0 0.0 4.50 241 241 A 64 THR H A 63 GLU HA 1.0 0.0 2.50 242 242 A 64 THR H A 50 SER HA 1.0 0.0 5.50 243 243 A 64 THR HB A 64 THR H 1.0 0.0 4.00 244 244 A 65 THR H A 64 THR HA 1.0 0.0 2.50 245 245 A 65 THR H A 65 THR HB 1.0 0.0 4.00 246 246 A 66 PHE H A 65 THR H 1.0 0.0 5.00 247 247 A 64 THR H A 65 THR H 1.0 0.0 5.50 248 248 A 66 PHE H A 65 THR HB 1.0 0.0 4.50 249 249 A 66 PHE H A 65 THR HA 1.0 0.0 2.50 250 250 A 66 PHE H A 48 LYS HA 1.0 0.0 5.50 251 251 A 66 PHE H A 66 PHE HBx 1.0 0.0 4.50 252 252 A 66 PHE HBy A 67 LYS H 1.0 0.0 4.50 253 253 A 66 PHE HBx A 67 LYS H 1.0 0.0 4.50 254 254 A 67 LYS H A 67 LYS HBx 1.0 0.0 4.00 255 255 A 67 LYS H A 77 TYR H 1.0 0.0 4.00 256 256 A 67 LYS H A 66 PHE HA 1.0 0.0 2.50 257 257 A 68 LYS H A 67 LYS HBy 1.0 0.0 4.50 258 258 A 67 LYS HA A 68 LYS H 1.0 0.0 2.50 259 259 A 68 LYS H A 77 TYR H 1.0 0.0 5.50 260 260 A 69 THR H A 69 THR HB 1.0 0.0 3.50 261 261 A 69 THR H A 70 SER H 1.0 0.0 5.50 262 262 A 69 THR H A 77 TYR H 1.0 0.0 5.50 263 263 A 69 THR H A 68 LYS HBy 1.0 0.0 5.50 264 264 A 69 THR H A 68 LYS HBx 1.0 0.0 5.50 265 265 A 70 SER H A 69 THR HA 1.0 0.0 3.50 266 266 A 70 SER H A 71 ASP H 1.0 0.0 4.50 267 267 A 69 THR H A 70 SER H 1.0 0.0 5.50 268 268 A 70 SER H A 69 THR HA 1.0 0.0 2.50 269 269 A 70 SER H A 70 SER HBx 1.0 0.0 4.03 270 270 A 70 SER H A 70 SER HBy 1.0 0.0 4.10 271 271 A 71 ASP H A 70 SER HA 1.0 0.0 3.18 272 272 A 71 ASP H A 70 SER HBx 1.0 0.0 4.99 273 273 A 71 ASP H A 72 ASP H 1.0 0.0 4.50 274 274 A 71 ASP H A 71 ASP HBy 1.0 0.0 3.50 275 275 A 71 ASP H A 71 ASP HBx 1.0 0.0 3.50 276 276 A 72 ASP H A 71 ASP HBx 1.0 0.0 3.50 277 277 A 72 ASP H A 74 GLU HA 1.0 0.0 5.50 278 278 A 72 ASP H A 71 ASP HBx 1.0 0.0 4.50 279 279 A 72 ASP H A 71 ASP HA 1.0 0.0 4.00 280 280 A 72 ASP H A 73 GLY H 1.0 0.0 4.50 281 281 A 73 GLY H A 72 ASP HBy 1.0 0.0 4.50 282 282 A 73 GLY H A 72 ASP HBx 1.0 0.0 4.50 283 283 A 73 GLY H A 72 ASP HA 1.0 0.0 2.50 284 284 A 73 GLY H A 74 GLU H 1.0 0.0 4.50 285 285 A 75 VAL H A 73 GLY HAx 1.0 0.0 5.50 286 286 A 74 GLU H A 75 VAL H 1.0 0.0 4.50 287 287 A 74 GLU H A 72 ASP HA 1.0 0.0 5.50 288 288 A 74 GLU H A 73 GLY HAy 1.0 0.0 4.00 289 289 A 74 GLU H A 73 GLY HAx 1.0 0.0 4.00 290 290 A 75 VAL H A 76 TYR H 1.0 0.0 5.00 291 291 A 75 VAL H A 74 GLU HA 1.0 0.0 2.50 292 292 A 75 VAL H A 75 VAL HB 1.0 0.0 4.50 293 293 A 76 TYR H A 87 VAL H 1.0 0.0 5.00 294 294 A 76 TYR H A 75 VAL HA 1.0 0.0 2.50 295 295 A 76 TYR H A 86 GLU HBx 1.0 0.0 5.50 296 296 A 67 LYS H A 76 TYR HA 1.0 0.0 5.50 297 297 A 69 THR H A 76 TYR HA 1.0 0.0 5.50 298 298 A 77 TYR H A 76 TYR HBy 1.0 0.0 4.50 299 299 A 77 TYR H A 76 TYR HA 1.0 0.0 2.50 300 300 A 77 TYR H A 78 SER H 1.0 0.0 4.50 301 301 A 77 TYR H A 69 THR HB 1.0 0.0 5.50 302 302 A 77 TYR HA A 78 SER H 1.0 0.0 3.50 303 303 A 78 SER HA A 79 GLU HBy 1.0 0.0 4.50 304 304 A 79 GLU H A 81 ALA H 1.0 0.0 5.50 305 305 A 79 GLU H A 78 SER HA 1.0 0.0 2.50 306 306 A 79 GLU H A 79 GLU HBx 1.0 0.0 3.50 307 307 A 80 GLU H A 81 ALA H 1.0 0.0 3.50 308 308 A 80 GLU H A 82 LYS H 1.0 0.0 4.50 309 309 A 81 ALA H A 82 LYS H 1.0 0.0 4.00 310 310 A 83 LYS H A 82 LYS H 1.0 0.0 3.50 311 311 A 83 LYS H A 82 LYS HA 1.0 0.0 2.50 312 312 A 83 LYS H A 84 LYS H 1.0 0.0 5.00 313 313 A 83 LYS H A 78 SER H 1.0 0.0 4.50 314 314 A 83 LYS H A 82 LYS HA 1.0 0.0 3.50 315 315 A 83 LYS HA A 84 LYS H 1.0 0.0 2.50 316 316 A 102 ARG HA A 84 LYS H 1.0 0.0 5.50 317 317 A 77 TYR HA A 84 LYS HA 1.0 0.0 5.50 318 318 A 76 TYR H A 85 VAL H 1.0 0.0 5.50 319 319 A 85 VAL H A 84 LYS HA 1.0 0.0 2.50 320 320 A 77 TYR HA A 85 VAL H 1.0 0.0 5.50 321 321 A 86 GLU H A 85 VAL HB 1.0 0.0 4.50 322 322 A 85 VAL HB A 84 LYS HA 1.0 0.0 5.50 323 323 A 85 VAL H A 86 GLU H 1.0 0.0 4.50 324 324 A 86 GLU H A 85 VAL HA 1.0 0.0 2.50 325 325 A 86 GLU H A 100 ALA HA 1.0 0.0 5.50 326 326 A 86 GLU H A 99 TYR H 1.0 0.0 4.50 327 327 A 86 GLU H A 86 GLU HBy 1.0 0.0 4.00 328 328 A 75 VAL HA A 86 GLU HA 1.0 0.0 5.50 329 329 A 87 VAL H A 88 LEU H 1.0 0.0 5.00 330 330 A 87 VAL H A 86 GLU HA 1.0 0.0 2.50 331 331 A 87 VAL H A 75 VAL HA 1.0 0.0 4.50 332 332 A 87 VAL H A 87 VAL HB 1.0 0.0 3.50 333 333 A 88 LEU H A 87 VAL HA 1.0 0.0 2.50 334 334 A 89 ASP H A 88 LEU H 1.0 0.0 3.50 335 335 A 88 LEU H A 89 ASP HBy 1.0 0.0 5.50 336 336 A 88 LEU H A 89 ASP HBx 1.0 0.0 5.50 337 337 A 89 ASP H A 90 THR H 1.0 0.0 4.50 338 338 A 89 ASP H A 98 ILE H 1.0 0.0 5.50 339 339 A 98 ILE HA A 89 ASP H 1.0 0.0 5.50 340 340 A 89 ASP H A 88 LEU HA 1.0 0.0 5.50 341 341 A 89 ASP H A 87 VAL HA 1.0 0.0 4.50 342 342 A 89 ASP H A 89 ASP HBy 1.0 0.0 4.00 343 343 A 89 ASP H A 89 ASP HBx 1.0 0.0 3.50 344 344 A 90 THR H A 89 ASP HBx 1.0 0.0 4.50 345 345 A 89 ASP HA A 90 THR H 1.0 0.0 2.50 346 346 A 90 THR H A 97 VAL H 1.0 0.0 5.50 347 347 A 90 THR H A 91 ASP H 1.0 0.0 4.50 348 348 A 91 ASP H A 90 THR HA 1.0 0.0 2.50 349 349 A 91 ASP H A 95 TYR H 1.0 0.0 4.80 350 350 A 92 TYR H A 91 ASP H 1.0 0.0 4.50 351 351 A 91 ASP H A 93 LYS H 1.0 0.0 4.50 352 352 A 91 ASP H A 94 SER H 1.0 0.0 5.50 353 353 A 96 ALA HA A 91 ASP H 1.0 0.0 4.50 354 354 A 92 TYR H A 95 TYR H 1.0 0.0 5.50 355 355 A 92 TYR H A 93 LYS H 1.0 0.0 4.50 356 356 A 92 TYR H A 94 SER H 1.0 0.0 5.50 357 357 A 93 LYS H A 95 TYR H 1.0 0.0 4.00 358 358 A 93 LYS H A 94 SER H 1.0 0.0 3.50 359 359 A 92 TYR HA A 93 LYS H 1.0 0.0 5.50 360 360 A 95 TYR H A 94 SER HBy 1.0 0.0 5.50 361 361 A 95 TYR H A 94 SER HBx 1.0 0.0 5.00 362 362 A 95 TYR H A 96 ALA H 1.0 0.0 5.50 363 363 A 95 TYR H A 94 SER H 1.0 0.0 3.50 364 364 A 95 TYR H A 94 SER HA 1.0 0.0 4.50 365 365 A 95 TYR H A 94 SER HBy 1.0 0.0 5.50 366 366 A 95 TYR H A 94 SER HBx 1.0 0.0 4.50 367 367 A 95 TYR H A 117 ARG HBx 1.0 0.0 5.50 368 368 A 116 SER HA A 95 TYR HA 1.0 0.0 5.50 369 369 A 95 TYR H A 96 ALA H 1.0 0.0 5.50 370 370 A 115 TYR H A 96 ALA H 1.0 0.0 4.50 371 371 A 116 SER H A 96 ALA H 1.0 0.0 5.50 372 372 A 97 VAL H A 96 ALA H 1.0 0.0 5.50 373 373 A 96 ALA H A 95 TYR HA 1.0 0.0 2.50 374 374 A 116 SER HA A 96 ALA H 1.0 0.0 4.50 375 375 A 95 TYR HBy A 96 ALA H 1.0 0.0 5.50 376 376 A 95 TYR HBx A 96 ALA H 1.0 0.0 5.50 377 377 A 96 ALA H A 115 TYR HBy 1.0 0.0 5.50 378 378 A 96 ALA H A 115 TYR HBx 1.0 0.0 5.50 379 379 A 97 VAL H A 98 ILE H 1.0 0.0 4.50 380 380 A 96 ALA HA A 97 VAL H 1.0 0.0 2.50 381 381 A 89 ASP H A 97 VAL H 1.0 0.0 4.50 382 382 A 89 ASP HA A 97 VAL H 1.0 0.0 5.50 383 383 A 97 VAL H A 89 ASP HBy 1.0 0.0 5.50 384 384 A 97 VAL H A 90 THR HA 1.0 0.0 5.50 385 385 A 90 THR HB A 97 VAL H 1.0 0.0 4.50 386 386 A 97 VAL H A 97 VAL HB 1.0 0.0 4.00 387 387 A 98 ILE H A 97 VAL HA 1.0 0.0 2.50 388 388 A 98 ILE H A 97 VAL HB 1.0 0.0 5.50 389 389 A 98 ILE H A 98 ILE HB 1.0 0.0 4.50 390 390 A 89 ASP H A 99 TYR H 1.0 0.0 5.50 391 391 A 88 LEU H A 99 TYR H 1.0 0.0 4.50 392 392 A 98 ILE HA A 99 TYR H 1.0 0.0 2.50 393 393 A 99 TYR H A 87 VAL HA 1.0 0.0 4.50 394 394 A 85 VAL HB A 99 TYR H 1.0 0.0 5.50 395 395 A 99 TYR HA A 112 MET HA 1.0 0.0 5.50 396 396 A 99 TYR HD1 A 99 TYR HA 1.0 0.0 4.00 397 397 A 99 TYR HD1 A 100 ALA H 1.0 0.0 5.50 398 398 A 99 TYR HBy A 100 ALA H 1.0 0.0 5.50 399 399 A 99 TYR HBx A 100 ALA H 1.0 0.0 5.50 400 400 A 100 ALA H A 111 MET H 1.0 0.0 4.50 401 401 A 100 ALA H A 99 TYR HA 1.0 0.0 2.50 402 402 A 100 ALA H A 112 MET HA 1.0 0.0 5.50 403 403 A 85 VAL HA A 100 ALA HA 1.0 0.0 5.50 404 404 A 101 THR H A 100 ALA HA 1.0 0.0 2.50 405 405 A 101 THR H A 101 THR HB 1.0 0.0 4.50 406 406 A 101 THR H A 102 ARG H 1.0 0.0 5.50 407 407 A 101 THR H A 85 VAL HA 1.0 0.0 5.50 408 408 A 86 GLU H A 101 THR H 1.0 0.0 5.50 409 409 A 110 HIS HA A 101 THR HA 1.0 0.0 5.50 410 410 A 102 ARG H A 101 THR HB 1.0 0.0 5.00 411 411 A 102 ARG H A 101 THR HA 1.0 0.0 2.50 412 412 A 102 ARG H A 109 LEU H 1.0 0.0 4.50 413 413 A 102 ARG H A 110 HIS HA 1.0 0.0 4.00 414 414 A 102 ARG H A 109 LEU HA 1.0 0.0 5.50 415 415 A 102 ARG H A 108 THR HA 1.0 0.0 5.50 416 416 A 102 ARG H A 103 VAL H 1.0 0.0 5.50 417 417 A 83 LYS HA A 103 VAL H 1.0 0.0 5.50 418 418 A 103 VAL H A 102 ARG HA 1.0 0.0 2.50 419 419 A 103 VAL H A 103 VAL HB 1.0 0.0 3.50 420 420 A 104 LYS H A 103 VAL HA 1.0 0.0 2.50 421 421 A 104 LYS H A 106 GLY H 1.0 0.0 5.50 422 422 A 107 ARG H A 106 GLY H 1.0 0.0 4.50 423 423 A 107 ARG H A 106 GLY HAy 1.0 0.0 5.50 424 424 A 107 ARG H A 106 GLY HAx 1.0 0.0 5.50 425 425 A 107 ARG H A 108 THR H 1.0 0.0 4.50 426 426 A 104 LYS H A 107 ARG H 1.0 0.0 4.00 427 427 A 108 THR H A 109 LEU H 1.0 0.0 5.00 428 428 A 108 THR H A 107 ARG HA 1.0 0.0 2.50 429 429 A 109 LEU H A 108 THR HB 1.0 0.0 5.00 430 430 A 109 LEU H A 108 THR HA 1.0 0.0 2.50 431 431 A 109 LEU H A 101 THR HA 1.0 0.0 5.50 432 432 A 109 LEU H A 110 HIS HA 1.0 0.0 5.50 433 433 A 110 HIS H A 109 LEU HBy 1.0 0.0 4.00 434 434 A 110 HIS HA A 109 LEU HBy 1.0 0.0 5.50 435 435 A 110 HIS HA A 109 LEU HBx 1.0 0.0 5.50 436 436 A 110 HIS H A 111 MET H 1.0 0.0 5.00 437 437 A 109 LEU HA A 110 HIS H 1.0 0.0 2.50 438 438 A 110 HIS HA A 111 MET H 1.0 0.0 2.50 439 439 A 111 MET H A 101 THR HA 1.0 0.0 5.00 440 440 A 111 MET H A 111 MET HBx 1.0 0.0 4.50 441 441 A 111 MET H A 110 HIS HBy 1.0 0.0 5.50 442 442 A 111 MET H A 110 HIS HBx 1.0 0.0 5.50 443 443 A 112 MET H A 111 MET HA 1.0 0.0 2.50 444 444 A 112 MET H A 19 ALA HA 1.0 0.0 5.50 445 445 A 113 ARG H A 114 LEU H 1.0 0.0 5.50 446 446 A 113 ARG H A 112 MET HA 1.0 0.0 2.50 447 447 A 98 ILE H A 113 ARG H 1.0 0.0 5.50 448 448 A 99 TYR HA A 113 ARG H 1.0 0.0 5.50 449 449 A 114 LEU H A 113 ARG HA 1.0 0.0 2.50 450 450 A 114 LEU H A 18 LEU HA 1.0 0.0 4.50 451 451 A 115 TYR H A 114 LEU HA 1.0 0.0 2.50 452 452 A 115 TYR H A 115 TYR HBy 1.0 0.0 5.50 453 453 A 115 TYR H A 115 TYR HBx 1.0 0.0 5.50 454 454 A 116 SER H A 115 TYR HA 1.0 0.0 3.50 455 455 A 116 SER H A 115 TYR HBy 1.0 0.0 5.50 456 456 A 116 SER HBx A 120 GLU HBy 1.0 0.0 6.50 457 457 A 116 SER HBx A 16 VAL HB 1.0 0.0 5.50 458 458 A 116 SER HBx A 117 ARG H 1.0 0.0 5.50 459 459 A 116 SER HBy A 117 ARG H 1.0 0.0 5.00 460 460 A 116 SER HBy A 120 GLU HBy 1.0 0.0 6.50 461 461 A 116 SER HBy A 16 VAL HB 1.0 0.0 5.50 462 462 A 116 SER HA A 117 ARG H 1.0 0.0 2.50 463 463 A 117 ARG H A 118 SER H 1.0 0.0 4.50 464 464 A 117 ARG H A 95 TYR HA 1.0 0.0 5.50 465 465 A 117 ARG H A 117 ARG HBy 1.0 0.0 4.00 466 466 A 117 ARG H A 117 ARG HBx 1.0 0.0 4.00 467 467 A 117 ARG HA A 118 SER H 1.0 0.0 3.50 468 468 A 118 SER H A 117 ARG HBy 1.0 0.0 4.00 469 469 A 117 ARG HBx A 118 SER H 1.0 0.0 4.50 470 470 A 118 SER HBy A 117 ARG HBy 1.0 0.0 5.50 471 471 A 116 SER HA A 118 SER H 1.0 0.0 4.50 472 472 A 120 GLU H A 118 SER HBx 1.0 0.0 3.50 473 473 A 118 SER HBy A 118 SER H 1.0 0.0 3.50 474 474 A 119 PRO HDx A 118 SER H 1.0 0.0 5.00 475 475 A 118 SER HBy A 119 PRO HDx 1.0 0.0 4.50 476 476 A 120 GLU H A 119 PRO HBy 1.0 0.0 5.50 477 477 A 120 GLU H A 119 PRO HBx 1.0 0.0 5.50 478 478 A 120 GLU H A 119 PRO HGy 1.0 0.0 5.50 479 479 A 119 PRO HGy A 118 SER HA 1.0 0.0 4.50 480 480 A 119 PRO HGx A 120 GLU H 1.0 0.0 5.50 481 481 A 119 PRO HGx A 118 SER HA 1.0 0.0 4.50 482 482 A 120 GLU H A 119 PRO HDy 1.0 0.0 5.50 483 483 A 119 PRO HDy A 118 SER HA 1.0 0.0 3.50 484 484 A 120 GLU H A 119 PRO HDx 1.0 0.0 5.50 485 485 A 119 PRO HDx A 118 SER HA 1.0 0.0 3.50 486 486 A 120 GLU H A 121 VAL H 1.0 0.0 4.50 487 487 A 121 VAL H A 120 GLU HA 1.0 0.0 3.50 488 488 A 121 VAL H A 120 GLU HBy 1.0 0.0 3.50 489 489 A 121 VAL H A 122 SER H 1.0 0.0 4.50 490 490 A 121 VAL HA A 122 SER HA 1.0 0.0 5.00 491 491 A 122 SER H A 121 VAL HA 1.0 0.0 3.50 492 492 A 121 VAL HB A 122 SER H 1.0 0.0 4.50 493 493 A 122 SER H A 122 SER HBx 1.0 0.0 3.50 494 494 A 124 ALA H A 125 ALA H 1.0 0.0 3.50 495 495 A 125 ALA H A 126 THR H 1.0 0.0 3.50 496 496 A 126 THR HB A 126 THR H 1.0 0.0 4.00 497 497 A 126 THR HB A 127 ALA H 1.0 0.0 5.00 498 498 A 129 PHE H A 126 THR HB 1.0 0.0 6.00 499 499 A 129 PHE H A 127 ALA H 1.0 0.0 5.50 500 500 A 127 ALA H A 128 ILE H 1.0 0.0 3.50 501 501 A 126 THR HB A 127 ALA H 1.0 0.0 5.50 502 502 A 130 ARG H A 127 ALA HA 1.0 0.0 4.00 503 503 A 128 ILE H A 127 ALA HA 1.0 0.0 4.00 504 504 A 129 PHE H A 128 ILE H 1.0 0.0 3.50 505 505 A 128 ILE H A 130 ARG H 1.0 0.0 5.50 506 506 A 125 ALA HA A 128 ILE H 1.0 0.0 5.50 507 507 A 128 ILE H A 128 ILE HB 1.0 0.0 3.50 508 508 A 128 ILE H A 128 ILE HG1x 1.0 0.5 4.50 509 509 A 132 LEU H A 128 ILE HA 1.0 0.0 5.50 510 510 A 129 PHE H A 128 ILE HA 1.0 0.0 5.50 511 511 A 129 PHE H A 128 ILE HB 1.0 0.0 4.00 512 512 A 125 ALA HA A 128 ILE HB 1.0 0.0 5.50 513 513 A 129 PHE H A 130 ARG H 1.0 0.0 4.00 514 514 A 130 ARG H A 131 LYS H 1.0 0.0 4.00 515 515 A 131 LYS H A 130 ARG HA 1.0 0.0 5.50 516 516 A 132 LEU H A 131 LYS H 1.0 0.0 4.00 517 517 A 131 LYS H A 128 ILE HA 1.0 0.0 5.50 518 518 A 133 ALA H A 132 LEU H 1.0 0.0 4.00 519 519 A 135 GLU H A 132 LEU HA 1.0 0.0 5.50 520 520 A 133 ALA H A 134 GLY H 1.0 0.0 3.50 521 521 A 133 ALA H A 135 GLU H 1.0 0.0 5.00 522 522 A 134 GLY H A 135 GLU H 1.0 0.0 4.00 523 523 A 134 GLY H A 136 ARG H 1.0 0.0 4.50 524 524 A 135 GLU H A 136 ARG H 1.0 0.0 3.50 525 525 A 136 ARG H A 138 TYR H 1.0 0.0 4.00 526 526 A 136 ARG H A 132 LEU HA 1.0 0.0 5.50 527 527 A 136 ARG H A 137 ASN H 1.0 0.0 3.50 528 528 A 137 ASN H A 137 ASN HA 1.0 0.0 3.50 529 529 A 137 ASN H A 137 ASN HBy 1.0 0.0 3.50 530 530 A 137 ASN H A 138 TYR H 1.0 0.0 3.50 531 531 A 138 TYR H A 137 ASN HA 1.0 0.0 3.50 532 532 A 138 TYR H A 137 ASN HBy 1.0 0.0 4.00 533 533 A 137 ASN H A 137 ASN HD21 1.0 0.0 4.50 534 534 A 137 ASN HA A 137 ASN HD21 1.0 0.0 4.50 535 535 A 137 ASN HD21 A 137 ASN HBx 1.0 0.0 3.50 536 536 A 137 ASN H A 137 ASN HD22 1.0 0.0 4.50 537 537 A 137 ASN HA A 137 ASN HD22 1.0 0.0 4.50 538 538 A 137 ASN HBx A 137 ASN HD22 1.0 0.0 4.00 539 539 A 138 TYR H A 139 THR H 1.0 0.0 5.50 540 540 A 138 TYR HA A 139 THR H 1.0 0.0 3.50 541 541 A 138 TYR HA A 139 THR H 1.0 0.0 3.50 542 542 A 139 THR H A 139 THR HB 1.0 0.0 4.00 543 543 A 140 ASP H A 139 THR HA 1.0 0.0 3.50 544 544 A 140 ASP H A 139 THR HB 1.0 0.0 3.50 545 545 A 140 ASP H A 143 VAL H 1.0 0.0 5.50 546 546 A 140 ASP HA A 143 VAL H 1.0 0.0 3.50 547 547 A 142 MET H A 141 GLU H 1.0 0.0 3.50 548 548 A 141 GLU H A 143 VAL H 1.0 0.0 4.50 549 549 A 142 MET H A 141 GLU HBy 1.0 0.0 5.50 550 550 A 142 MET H A 141 GLU HBx 1.0 0.0 5.50 551 551 A 142 MET H A 143 VAL H 1.0 0.0 3.50 552 552 A 142 MET H A 141 GLU HA 1.0 0.0 4.00 553 553 A 143 VAL H A 144 ALA H 1.0 0.0 4.50 554 554 A 143 VAL H A 143 VAL HB 1.0 0.0 3.50 555 555 A 142 MET HA A 143 VAL H 1.0 0.0 3.50 556 556 A 143 VAL H A 142 MET HGx 1.0 0.0 5.50 557 557 A 144 ALA H A 143 VAL HB 1.0 0.0 5.00 558 558 A 145 MET H A 144 ALA H 1.0 0.0 4.50 559 559 A 144 ALA H A 143 VAL HA 1.0 0.0 2.50 560 560 A 144 ALA H A 19 ALA HA 1.0 0.0 5.50 561 561 A 144 ALA H A 18 LEU HG 1.0 0.0 5.50 562 562 A 145 MET H A 144 ALA HA 1.0 0.0 3.50 563 563 A 145 MET H A 144 ALA HA 1.0 0.0 2.50 564 564 A 145 MET H A 146 LEU H 1.0 0.0 5.00 565 565 A 145 MET H A 145 MET HGy 1.0 0.0 4.00 566 566 A 145 MET H A 145 MET HGx 1.0 0.0 4.00 567 567 A 146 LEU H A 145 MET HA 1.0 0.0 2.50 568 568 A 146 LEU H A 145 MET HGy 1.0 0.0 5.50 569 569 A 146 LEU H A 145 MET HGx 1.0 0.0 5.50 570 570 A 146 LEU HG A 146 LEU H 1.0 0.0 4.50 571 571 A 146 LEU H A 146 LEU HBx 1.0 0.0 4.00 572 572 A 146 LEU H A 34 MET HA 1.0 0.0 5.50 573 573 A 17 ALA HA A 146 LEU H 1.0 0.0 4.50 574 574 A 148 ARG H A 147 PRO HA 1.0 0.0 3.50 575 575 A 148 ARG H A 147 PRO HBy 1.0 0.0 3.50 576 576 A 148 ARG H A 149 GLN H 1.0 0.0 4.50 577 577 A 149 GLN H A 148 ARG HA 1.0 0.0 3.50 578 578 A 150 GLU H A 149 GLN HA 1.0 0.0 3.50 579 579 A 150 GLU HA A 152 CYS H 1.0 0.0 5.00 580 580 A 150 GLU HA A 151 GLU H 1.0 0.0 3.50 581 581 A 151 GLU H A 150 GLU HBx 1.0 0.0 4.50 582 582 A 151 GLU H A 150 GLU HBy 1.0 0.0 4.50 583 583 A 151 GLU H A 150 GLU H 1.0 0.0 4.50 584 584 A 151 GLU H A 152 CYS H 1.0 0.0 3.50 585 585 A 151 GLU H A 152 CYS HA 1.0 0.0 5.50 586 586 A 151 GLU H A 152 CYS HBy 1.0 0.0 5.50 587 587 A 151 GLU H A 152 CYS HBx 1.0 0.0 5.50 588 588 A 152 CYS H A 151 GLU HA 1.0 0.0 5.50 589 589 A 152 CYS H A 153 THR H 1.0 0.0 4.50 590 590 A 152 CYS H A 152 CYS HBy 1.0 0.0 4.00 591 591 A 152 CYS H A 152 CYS HBx 1.0 0.0 4.00 592 592 A 153 THR H A 152 CYS HA 1.0 0.0 3.50 593 593 A 153 THR H A 152 CYS HBy 1.0 0.0 4.00 594 594 A 153 THR H A 152 CYS HBx 1.0 0.0 5.00 595 595 A 153 THR H A 154 VAL H 1.0 0.0 4.50 596 596 A 153 THR HB A 153 THR H 1.0 0.0 4.50 597 597 A 153 THR HA A 154 VAL H 1.0 0.0 2.50 598 598 A 153 THR HB A 154 VAL H 1.0 0.0 3.50 599 599 A 154 VAL H A 155 ASP H 1.0 0.0 4.50 600 600 A 154 VAL H A 154 VAL HB 1.0 0.0 3.50 601 601 A 155 ASP H A 154 VAL HA 1.0 0.0 2.50 602 602 A 155 ASP HA A 154 VAL HA 1.0 0.0 4.50 603 603 A 155 ASP H A 154 VAL HB 1.0 0.0 3.50 604 604 A 155 ASP H A 155 ASP HBy 1.0 0.0 3.50 605 605 A 155 ASP H A 155 ASP HBx 1.0 0.0 3.50 606 606 A 157 VAL H A 155 ASP HBx 1.0 0.0 4.50 607 607 A 156 GLU H A 155 ASP HBy 1.0 0.0 3.50 608 608 A 156 GLU H A 155 ASP HBx 1.0 0.0 3.50 609 609 A 156 GLU H A 155 ASP HA 1.0 1.0 3.50 610 610 A 156 GLU H A 157 VAL H 1.0 0.0 3.50 611 611 A 157 VAL H A 156 GLU HBx 1.0 0.0 4.50 612 612 A 156 GLU H A 156 GLU HGy 1.0 0.0 3.50 613 613 A 156 GLU H A 156 GLU HBx 1.0 0.0 3.50 614 614 A 156 GLU H A 156 GLU HGx 1.0 0.0 3.50 615 615 A 157 VAL H A 157 VAL HB 1.0 0.0 3.50 616 616 A 59 CYS SG A 152 CYS SG 1.0 0.0 2.10 617 617 A 59 CYS SG A 152 CYS CB 1.0 0.0 3.10 618 618 A 152 CYS SG A 59 CYS CB 1.0 0.0 3.10 619 619 A 100 ALA HB% C 1 EB4 H7 1.0 1.0 3.50 620 620 A 109 LEU HBy C 1 EB4 H13 1.0 0.5 5.50 621 621 A 109 LEU HBx C 1 EB4 H13 1.0 0.5 5.50 622 622 A 109 LEU HD2% C 1 EB4 H10 1.0 0.5 5.50 623 623 A 109 LEU HD2% C 1 EB4 H13 1.0 0.5 5.50 624 624 A 111 MET HBx C 1 EB4 H10 1.0 0.5 5.50 625 625 C 1 EB4 H10 A 111 MET HBy 1.0 0.5 5.50 626 626 C 1 EB4 H13 A 111 MET HE% 1.0 0.5 5.50 627 627 C 1 EB4 H10 A 111 MET HE% 1.0 0.5 5.50 628 628 C 1 EB4 H7 A 111 MET HE% 1.0 0.5 5.50 629 629 A 15 VAL HG1% C 1 EB4 H9 1.0 0.5 5.50 630 630 A 15 VAL HG1% C 1 EB4 H12 1.0 0.5 5.50 631 631 A 15 VAL HG1% C 1 EB4 H15 1.0 0.5 5.50 632 632 A 35 ALA HB% C 1 EB4 H15 1.0 0.5 5.50 633 633 A 35 ALA HB% C 1 EB4 H12 1.0 0.5 5.50 634 634 A 53 VAL HG2% C 1 EB4 H9 1.0 0.5 5.50 635 635 A 53 VAL HG2% C 1 EB4 H12 1.0 0.5 5.50 636 636 A 53 VAL HG2% C 1 EB4 H15 1.0 0.5 5.50 637 637 A 62 TRP HE1 C 1 EB4 H11 1.0 0.5 5.50 638 638 C 1 EB4 H11 A 62 TRP HZ2 1.0 0.5 5.50 639 639 A 81 ALA HB% C 1 EB4 H14 1.0 0.5 5.50 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 15 VAL H A 35 ALA O 1.0 0.0 2.5 2 2 A 35 ALA O A 15 VAL N 1.0 0.0 3.5 3 3 A 13 TRP H A 37 ALA O 1.0 0.0 2.5 4 4 A 37 ALA O A 13 TRP N 1.0 0.0 3.5 5 5 A 17 ALA H A 114 LEU O 1.0 0.0 2.5 6 6 A 114 LEU O A 17 ALA N 1.0 0.0 3.5 7 7 A 18 LEU H A 144 ALA O 1.0 0.0 2.5 8 8 A 144 ALA O A 18 LEU N 1.0 0.0 3.5 9 9 A 19 ALA H A 112 MET O 1.0 0.0 2.5 10 10 A 112 MET O A 19 ALA N 1.0 0.0 3.5 11 11 A 20 SER H A 142 MET O 1.0 0.0 2.5 12 12 A 142 MET O A 20 SER N 1.0 0.0 3.5 13 13 A 32 MET H A 28 GLU O 1.0 0.0 2.5 14 14 A 28 GLU O A 32 MET N 1.0 0.0 3.5 15 15 A 30 ASP H A 26 LEU O 1.0 0.0 2.5 16 16 A 26 LEU O A 30 ASP N 1.0 0.0 3.5 17 17 A 29 LYS H A 25 PHE O 1.0 0.0 2.5 18 18 A 25 PHE O A 29 LYS N 1.0 0.0 3.5 19 19 A 28 GLU H A 24 PHE O 1.0 0.0 2.5 20 20 A 24 PHE O A 28 GLU N 1.0 0.0 3.5 21 21 A 27 ARG H A 23 GLU O 1.0 0.0 2.5 22 22 A 23 GLU O A 27 ARG N 1.0 0.0 3.5 23 23 A 35 ALA H A 15 VAL O 1.0 0.0 2.5 24 24 A 15 VAL O A 35 ALA N 1.0 0.0 3.5 25 25 A 36 MET H A 52 ALA O 1.0 0.0 2.5 26 26 A 52 ALA O A 36 MET N 1.0 0.0 3.5 27 27 A 37 ALA H A 13 TRP O 1.0 0.0 2.5 28 28 A 13 TRP O A 37 ALA N 1.0 0.0 3.5 29 29 A 38 ARG H A 50 SER O 1.0 0.0 2.5 30 30 A 50 SER O A 38 ARG N 1.0 0.0 3.5 31 31 A 40 SER H A 48 LYS O 1.0 0.0 2.5 32 32 A 48 LYS O A 40 SER N 1.0 0.0 3.5 33 33 A 42 LEU H A 46 GLU O 1.0 0.0 2.5 34 34 A 46 GLU O A 42 LEU N 1.0 0.0 3.5 35 35 A 47 LEU H A 66 PHE O 1.0 0.0 2.5 36 36 A 66 PHE O A 47 LEU N 1.0 0.0 3.5 37 37 A 48 LYS H A 40 SER O 1.0 0.0 2.5 38 38 A 40 SER O A 48 LYS N 1.0 0.0 3.5 39 39 A 49 VAL H A 64 THR O 1.0 0.0 2.5 40 40 A 64 THR O A 49 VAL N 1.0 0.0 3.5 41 41 A 50 SER H A 38 ARG O 1.0 0.0 2.5 42 42 A 38 ARG O A 50 SER N 1.0 0.0 3.5 43 43 A 51 TYR H A 62 TRP O 1.0 0.0 2.5 44 44 A 51 TYR H A 62 TRP O 1.0 0.0 3.5 45 45 A 52 ALA H A 36 MET O 1.0 0.0 2.5 46 46 A 36 MET O A 52 ALA N 1.0 0.0 3.5 47 47 A 53 VAL H A 60 ARG O 1.0 0.0 2.5 48 48 A 60 ARG O A 53 VAL N 1.0 0.0 3.5 49 49 A 60 ARG H A 53 VAL O 1.0 0.0 2.5 50 50 A 53 VAL O A 60 ARG N 1.0 0.0 3.5 51 51 A 62 TRP H A 51 TYR O 1.0 0.0 2.5 52 52 A 51 TYR O A 62 TRP N 1.0 0.0 3.5 53 53 A 64 THR H A 49 VAL O 1.0 0.0 2.5 54 54 A 49 VAL O A 64 THR N 1.0 0.0 3.5 55 55 A 67 LYS H A 77 TYR O 1.0 0.0 2.5 56 56 A 77 TYR O A 67 LYS N 1.0 0.0 3.5 57 57 A 76 TYR H A 85 VAL O 1.0 0.0 2.5 58 58 A 85 VAL O A 76 TYR N 1.0 0.0 3.5 59 59 A 77 TYR H A 67 LYS O 1.0 0.0 2.5 60 60 A 67 LYS O A 77 TYR N 1.0 0.0 3.5 61 61 A 78 SER H A 83 LYS O 1.0 0.0 2.5 62 62 A 83 LYS O A 78 SER N 1.0 0.0 3.5 63 63 A 86 GLU H A 99 TYR O 1.0 0.0 2.5 64 64 A 99 TYR O A 86 GLU N 1.0 0.0 3.5 65 65 A 84 LYS H A 101 THR O 1.0 0.0 2.5 66 66 A 101 THR O A 84 LYS N 1.0 0.0 3.5 67 67 A 85 VAL H A 76 TYR O 1.0 0.0 2.5 68 68 A 76 TYR O A 85 VAL N 1.0 0.0 3.5 69 69 A 89 ASP H A 97 VAL O 1.0 0.0 2.5 70 70 A 97 VAL O A 89 ASP N 1.0 0.0 3.5 71 71 A 91 ASP H A 95 TYR O 1.0 0.0 2.5 72 72 A 95 TYR O A 91 ASP N 1.0 0.0 3.5 73 73 A 96 ALA H A 115 TYR O 1.0 0.0 2.5 74 74 A 115 TYR O A 96 ALA N 1.0 0.0 3.5 75 75 A 97 VAL H A 89 ASP O 1.0 0.0 2.5 76 76 A 89 ASP O A 97 VAL N 1.0 0.0 3.5 77 77 A 98 ILE H A 113 ARG O 1.0 0.0 2.5 78 78 A 113 ARG O A 98 ILE N 1.0 0.0 3.5 79 79 A 99 TYR H A 86 GLU O 1.0 0.0 2.5 80 80 A 86 GLU O A 99 TYR N 1.0 0.0 3.5 81 81 A 100 ALA H A 111 MET O 1.0 0.0 2.5 82 82 A 111 MET O A 100 ALA N 1.0 0.0 3.5 83 83 A 101 THR H A 84 LYS O 1.0 0.0 2.5 84 84 A 84 LYS O A 101 THR N 1.0 0.0 3.5 85 85 A 102 ARG H A 109 LEU O 1.0 0.0 2.5 86 86 A 109 LEU O A 102 ARG N 1.0 0.0 3.5 87 87 A 103 VAL H A 82 LYS O 1.0 0.0 2.5 88 88 A 82 LYS O A 103 VAL N 1.0 0.0 3.5 89 89 A 104 LYS H A 107 ARG O 1.0 0.0 2.5 90 90 A 107 ARG O A 104 LYS N 1.0 0.0 3.5 91 91 A 109 LEU H A 102 ARG O 1.0 0.0 2.5 92 92 A 102 ARG O A 109 LEU N 1.0 0.0 3.5 93 93 A 111 MET H A 100 ALA O 1.0 0.0 2.5 94 94 A 100 ALA O A 111 MET N 1.0 0.0 3.5 95 95 A 112 MET H A 19 ALA O 1.0 0.0 2.5 96 96 A 19 ALA O A 112 MET N 1.0 0.0 3.5 97 97 A 113 ARG H A 98 ILE O 1.0 0.0 2.5 98 98 A 98 ILE O A 113 ARG N 1.0 0.0 3.5 99 99 A 114 LEU H A 17 ALA O 1.0 0.0 2.5 100 100 A 17 ALA O A 114 LEU N 1.0 0.0 3.5 101 101 A 115 TYR H A 96 ALA O 1.0 0.0 2.5 102 102 A 96 ALA O A 115 TYR N 1.0 0.0 3.5 103 103 A 116 SER H A 14 TYR O 1.0 0.0 2.5 104 104 A 14 TYR O A 116 SER N 1.0 0.0 3.5 105 105 A 117 ARG H A 94 SER O 1.0 0.0 2.5 106 106 A 94 SER O A 117 ARG N 1.0 0.0 3.5 107 107 A 136 ARG H A 132 LEU O 1.0 0.0 2.5 108 108 A 132 LEU O A 136 ARG N 1.0 0.0 3.5 109 109 A 135 GLU H A 131 LYS O 1.0 0.0 2.5 110 110 A 131 LYS O A 135 GLU N 1.0 0.0 3.5 111 111 A 134 GLY H A 130 ARG O 1.0 0.0 2.5 112 112 A 130 ARG O A 134 GLY N 1.0 0.0 3.5 113 113 A 133 ALA H A 129 PHE O 1.0 0.0 2.5 114 114 A 129 PHE O A 133 ALA N 1.0 0.0 3.5 115 115 A 132 LEU H A 128 ILE O 1.0 0.0 2.5 116 116 A 128 ILE O A 132 LEU N 1.0 0.0 3.5 117 117 A 131 LYS H A 127 ALA O 1.0 0.0 2.5 118 118 A 127 ALA O A 131 LYS N 1.0 0.0 3.5 119 119 A 130 ARG H A 126 THR O 1.0 0.0 2.5 120 120 A 126 THR O A 130 ARG N 1.0 0.0 3.5 121 121 A 129 PHE H A 125 ALA O 1.0 0.0 2.5 122 122 A 125 ALA O A 129 PHE N 1.0 0.0 3.5 123 123 A 128 ILE H A 124 ALA O 1.0 0.0 2.5 124 124 A 124 ALA O A 128 ILE N 1.0 0.0 3.5 125 125 A 127 ALA H A 123 PRO O 1.0 0.0 2.5 126 126 A 123 PRO O A 127 ALA N 1.0 0.0 3.5 127 127 A 144 ALA H A 18 LEU O 1.0 0.0 2.5 128 128 A 18 LEU O A 144 ALA N 1.0 0.0 3.5 stop_ save_ save_CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type . 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 5 ASP C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -84.0 -46.0 PHI 2 2 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 SER N 1.0 -51.0 -25.0 PSI 3 3 A 6 ARG C A 7 SER N A 7 SER CA A 7 SER C 1.0 -70.0 -50.0 PHI 4 4 A 7 SER N A 7 SER CA A 7 SER C A 8 GLU N 1.0 -53.0 -33.0 PSI 5 5 A 7 SER C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -81.0 -61.0 PHI 6 6 A 8 GLU N A 8 GLU CA A 8 GLU C A 9 ILE N 1.0 -71.0 -11.0 PSI 7 7 A 8 GLU C A 9 ILE N A 9 ILE CA A 9 ILE C 1.0 -90.0 -62.0 PHI 8 8 A 9 ILE N A 9 ILE CA A 9 ILE C A 10 ALA N 1.0 -61.0 -9.0 PSI 9 9 A 10 ALA C A 11 GLY N A 11 GLY CA A 11 GLY C 1.0 44.0 124.0 PHI 10 10 A 11 GLY N A 11 GLY CA A 11 GLY C A 12 LYS N 1.0 -30.0 40.0 PSI 11 11 A 11 GLY C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -160.0 -18.0 PHI 12 12 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 TRP N 1.0 100.0 180.0 PSI 13 13 A 12 LYS C A 13 TRP N A 13 TRP CA A 13 TRP C 1.0 -156.0 -114.0 PHI 14 14 A 13 TRP N A 13 TRP CA A 13 TRP C A 14 TYR N 1.0 138.0 170.0 PSI 15 15 A 13 TRP C A 14 TYR N A 14 TYR CA A 14 TYR C 1.0 -147.0 -75.0 PHI 16 16 A 14 TYR N A 14 TYR CA A 14 TYR C A 15 VAL N 1.0 112.0 150.0 PSI 17 17 A 16 VAL C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -179.0 -93.0 PHI 18 18 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 LEU N 1.0 147.0 167.0 PSI 19 19 A 17 ALA C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -157.0 -129.0 PHI 20 20 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 ALA N 1.0 140.0 164.0 PSI 21 21 A 18 LEU C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -158.0 -120.0 PHI 22 22 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 SER N 1.0 141.0 161.0 PSI 23 23 A 19 ALA C A 20 SER N A 20 SER CA A 20 SER C 1.0 -167.0 -95.0 PHI 24 24 A 20 SER N A 20 SER CA A 20 SER C A 21 ASN N 1.0 150.0 178.0 PSI 25 25 A 22 THR C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -68.0 -48.0 PHI 26 26 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 PHE N 1.0 -52.0 -32.0 PSI 27 27 A 23 GLU C A 24 PHE N A 24 PHE CA A 24 PHE C 1.0 -73.0 -53.0 PHI 28 28 A 24 PHE N A 24 PHE CA A 24 PHE C A 25 PHE N 1.0 -54.0 -34.0 PSI 29 29 A 24 PHE C A 25 PHE N A 25 PHE CA A 25 PHE C 1.0 -70.0 -50.0 PHI 30 30 A 25 PHE N A 25 PHE CA A 25 PHE C A 26 LEU N 1.0 -56.0 -36.0 PSI 31 31 A 25 PHE C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -67.0 -47.0 PHI 32 32 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 ARG N 1.0 -53.0 -33.0 PSI 33 33 A 26 LEU C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -78.0 -58.0 PHI 34 34 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 GLU N 1.0 -48.0 -26.0 PSI 35 35 A 27 ARG C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -112.0 -62.0 PHI 36 36 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 LYS N 1.0 -38.0 -4.0 PSI 37 37 A 28 GLU C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -72.0 -52.0 PHI 38 38 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 ASP N 1.0 -49.0 -27.0 PSI 39 39 A 29 LYS C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -75.0 -55.0 PHI 40 40 A 30 ASP N A 30 ASP CA A 30 ASP C A 31 LYS N 1.0 -48.0 -20.0 PSI 41 41 A 30 ASP C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -107.0 -69.0 PHI 42 42 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 MET N 1.0 -31.0 -1.0 PSI 43 43 A 33 LYS C A 34 MET N A 34 MET CA A 34 MET C 1.0 -188.0 -67.0 PHI 44 44 A 34 MET N A 34 MET CA A 34 MET C A 35 ALA N 1.0 122.0 166.0 PSI 45 45 A 34 MET C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -177.0 -90.0 PHI 46 46 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 MET N 1.0 139.0 161.0 PSI 47 47 A 35 ALA C A 36 MET N A 36 MET CA A 36 MET C 1.0 -160.0 -136.0 PHI 48 48 A 36 MET N A 36 MET CA A 36 MET C A 37 ALA N 1.0 146.0 166.0 PSI 49 49 A 36 MET C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -153.0 -117.0 PHI 50 50 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 ARG N 1.0 131.0 161.0 PSI 51 51 A 37 ALA C A 38 ARG N A 38 ARG CA A 38 ARG C 1.0 -146.0 -126.0 PHI 52 52 A 38 ARG N A 38 ARG CA A 38 ARG C A 39 ILE N 1.0 102.0 162.0 PSI 53 53 A 38 ARG C A 39 ILE N A 39 ILE CA A 39 ILE C 1.0 -151.0 -81.0 PHI 54 54 A 39 ILE N A 39 ILE CA A 39 ILE C A 40 SER N 1.0 119.0 139.0 PSI 55 55 A 39 ILE C A 40 SER N A 40 SER CA A 40 SER C 1.0 -157.0 -99.0 PHI 56 56 A 40 SER N A 40 SER CA A 40 SER C A 41 PHE N 1.0 123.0 159.0 PSI 57 57 A 40 SER C A 41 PHE N A 41 PHE CA A 41 PHE C 1.0 -104.0 -64.0 PHI 58 58 A 41 PHE N A 41 PHE CA A 41 PHE C A 42 LEU N 1.0 90.0 180.0 PSI 59 59 A 43 GLY C A 44 GLU N A 44 GLU CA A 44 GLU C 1.0 -83.0 -51.0 PHI 60 60 A 44 GLU N A 44 GLU CA A 44 GLU C A 45 ASP N 1.0 -45.0 -23.0 PSI 61 61 A 45 ASP C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -168.0 -136.0 PHI 62 62 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 LEU N 1.0 120.0 180.0 PSI 63 63 A 46 GLU C A 47 LEU N A 47 LEU CA A 47 LEU C 1.0 -149.0 -129.0 PHI 64 64 A 47 LEU N A 47 LEU CA A 47 LEU C A 48 LYS N 1.0 122.0 142.0 PSI 65 65 A 47 LEU C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -126.0 -88.0 PHI 66 66 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 VAL N 1.0 120.0 140.0 PSI 67 67 A 48 LYS C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -136.0 -116.0 PHI 68 68 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 SER N 1.0 118.0 138.0 PSI 69 69 A 49 VAL C A 50 SER N A 50 SER CA A 50 SER C 1.0 -142.0 -98.0 PHI 70 70 A 50 SER N A 50 SER CA A 50 SER C A 51 TYR N 1.0 124.0 152.0 PSI 71 71 A 50 SER C A 51 TYR N A 51 TYR CA A 51 TYR C 1.0 -148.0 -102.0 PHI 72 72 A 51 TYR N A 51 TYR CA A 51 TYR C A 52 ALA N 1.0 135.0 163.0 PSI 73 73 A 51 TYR C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -155.0 -95.0 PHI 74 74 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 VAL N 1.0 111.0 167.0 PSI 75 75 A 52 ALA C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -138.0 -114.0 PHI 76 76 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 PRO N 1.0 118.0 142.0 PSI 77 77 A 56 PRO C A 57 ASN N A 57 ASN CA A 57 ASN C 1.0 -104.0 -76.0 PHI 78 78 A 57 ASN N A 57 ASN CA A 57 ASN C A 58 GLY N 1.0 -25.0 23.0 PSI 79 79 A 58 GLY C A 59 CYS N A 59 CYS CA A 59 CYS C 1.0 -142.0 -50.0 PHI 80 80 A 59 CYS N A 59 CYS CA A 59 CYS C A 60 ARG N 1.0 93.0 153.0 PSI 81 81 A 59 CYS C A 60 ARG N A 60 ARG CA A 60 ARG C 1.0 -132.0 -92.0 PHI 82 82 A 60 ARG N A 60 ARG CA A 60 ARG C A 61 LYS N 1.0 115.0 137.0 PSI 83 83 A 60 ARG C A 61 LYS N A 61 LYS CA A 61 LYS C 1.0 -132.0 -102.0 PHI 84 84 A 61 LYS N A 61 LYS CA A 61 LYS C A 62 TRP N 1.0 132.0 158.0 PSI 85 85 A 61 LYS C A 62 TRP N A 62 TRP CA A 62 TRP C 1.0 -160.0 -100.0 PHI 86 86 A 62 TRP N A 62 TRP CA A 62 TRP C A 63 GLU N 1.0 137.0 177.0 PSI 87 87 A 62 TRP C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -163.0 -117.0 PHI 88 88 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 THR N 1.0 146.0 166.0 PSI 89 89 A 63 GLU C A 64 THR N A 64 THR CA A 64 THR C 1.0 -152.0 -132.0 PHI 90 90 A 64 THR N A 64 THR CA A 64 THR C A 65 THR N 1.0 123.0 143.0 PSI 91 91 A 64 THR C A 65 THR N A 65 THR CA A 65 THR C 1.0 -129.0 -89.0 PHI 92 92 A 65 THR N A 65 THR CA A 65 THR C A 66 PHE N 1.0 124.0 144.0 PSI 93 93 A 65 THR C A 66 PHE N A 66 PHE CA A 66 PHE C 1.0 -141.0 -121.0 PHI 94 94 A 66 PHE N A 66 PHE CA A 66 PHE C A 67 LYS N 1.0 122.0 186.0 PSI 95 95 A 66 PHE C A 67 LYS N A 67 LYS CA A 67 LYS C 1.0 -150.0 -118.0 PHI 96 96 A 67 LYS N A 67 LYS CA A 67 LYS C A 68 LYS N 1.0 122.0 148.0 PSI 97 97 A 73 GLY C A 74 GLU N A 74 GLU CA A 74 GLU C 1.0 -118.0 -86.0 PHI 98 98 A 74 GLU N A 74 GLU CA A 74 GLU C A 75 VAL N 1.0 93.0 159.0 PSI 99 99 A 74 GLU C A 75 VAL N A 75 VAL CA A 75 VAL C 1.0 -134.0 -98.0 PHI 100 100 A 75 VAL N A 75 VAL CA A 75 VAL C A 76 TYR N 1.0 117.0 143.0 PSI 101 101 A 75 VAL C A 76 TYR N A 76 TYR CA A 76 TYR C 1.0 -145.0 -119.0 PHI 102 102 A 76 TYR N A 76 TYR CA A 76 TYR C A 77 TYR N 1.0 143.0 169.0 PSI 103 103 A 76 TYR C A 77 TYR N A 77 TYR CA A 77 TYR C 1.0 -149.0 -121.0 PHI 104 104 A 77 TYR N A 77 TYR CA A 77 TYR C A 78 SER N 1.0 102.0 166.0 PSI 105 105 A 77 TYR C A 78 SER N A 78 SER CA A 78 SER C 1.0 -135.0 -59.0 PHI 106 106 A 78 SER N A 78 SER CA A 78 SER C A 79 GLU N 1.0 104.0 144.0 PSI 107 107 A 78 SER C A 79 GLU N A 79 GLU CA A 79 GLU C 1.0 -71.0 -51.0 PHI 108 108 A 79 GLU N A 79 GLU CA A 79 GLU C A 80 GLU N 1.0 -41.0 -17.0 PSI 109 109 A 79 GLU C A 80 GLU N A 80 GLU CA A 80 GLU C 1.0 -79.0 -59.0 PHI 110 110 A 80 GLU N A 80 GLU CA A 80 GLU C A 81 ALA N 1.0 -43.0 -9.0 PSI 111 111 A 80 GLU C A 81 ALA N A 81 ALA CA A 81 ALA C 1.0 -104.0 -80.0 PHI 112 112 A 81 ALA N A 81 ALA CA A 81 ALA C A 82 LYS N 1.0 -14.0 8.0 PSI 113 113 A 83 LYS N A 83 LYS CA A 83 LYS C A 84 LYS N 1.0 126.0 146.0 PSI 114 114 A 83 LYS C A 84 LYS N A 84 LYS CA A 84 LYS C 1.0 -141.0 -113.0 PHI 115 115 A 84 LYS N A 84 LYS CA A 84 LYS C A 85 VAL N 1.0 114.0 146.0 PSI 116 116 A 84 LYS C A 85 VAL N A 85 VAL CA A 85 VAL C 1.0 -157.0 -129.0 PHI 117 117 A 85 VAL N A 85 VAL CA A 85 VAL C A 86 GLU N 1.0 135.0 161.0 PSI 118 118 A 85 VAL C A 86 GLU N A 86 GLU CA A 86 GLU C 1.0 -144.0 -124.0 PHI 119 119 A 86 GLU N A 86 GLU CA A 86 GLU C A 87 VAL N 1.0 131.0 157.0 PSI 120 120 A 86 GLU C A 87 VAL N A 87 VAL CA A 87 VAL C 1.0 -110.0 -56.0 PHI 121 121 A 87 VAL N A 87 VAL CA A 87 VAL C A 88 LEU N 1.0 102.0 152.0 PSI 122 122 A 87 VAL C A 88 LEU N A 88 LEU CA A 88 LEU C 1.0 -107.0 -81.0 PHI 123 123 A 88 LEU N A 88 LEU CA A 88 LEU C A 89 ASP N 1.0 -51.0 -21.0 PSI 124 124 A 89 ASP C A 90 THR N A 90 THR CA A 90 THR C 1.0 -152.0 -76.0 PHI 125 125 A 90 THR N A 90 THR CA A 90 THR C A 91 ASP N 1.0 118.0 146.0 PSI 126 126 A 91 ASP C A 92 TYR N A 92 TYR CA A 92 TYR C 1.0 54.0 64.0 PHI 127 127 A 92 TYR N A 92 TYR CA A 92 TYR C A 93 LYS N 1.0 17.0 37.0 PSI 128 128 A 93 LYS C A 94 SER N A 94 SER CA A 94 SER C 1.0 -154.0 -102.0 PHI 129 129 A 95 TYR N A 95 TYR CA A 95 TYR C A 96 ALA N 1.0 144.0 164.0 PSI 130 130 A 95 TYR C A 96 ALA N A 96 ALA CA A 96 ALA C 1.0 -162.0 -138.0 PHI 131 131 A 96 ALA N A 96 ALA CA A 96 ALA C A 97 VAL N 1.0 132.0 152.0 PSI 132 132 A 96 ALA C A 97 VAL N A 97 VAL CA A 97 VAL C 1.0 -141.0 -91.0 PHI 133 133 A 97 VAL N A 97 VAL CA A 97 VAL C A 98 ILE N 1.0 115.0 141.0 PSI 134 134 A 97 VAL C A 98 ILE N A 98 ILE CA A 98 ILE C 1.0 -128.0 -108.0 PHI 135 135 A 98 ILE N A 98 ILE CA A 98 ILE C A 99 TYR N 1.0 120.0 148.0 PSI 136 136 A 98 ILE C A 99 TYR N A 99 TYR CA A 99 TYR C 1.0 -149.0 -99.0 PHI 137 137 A 99 TYR N A 99 TYR CA A 99 TYR C A 100 ALA N 1.0 108.0 138.0 PSI 138 138 A 99 TYR C A 100 ALA N A 100 ALA CA A 100 ALA C 1.0 -134.0 -104.0 PHI 139 139 A 100 ALA N A 100 ALA CA A 100 ALA C A 101 THR N 1.0 120.0 142.0 PSI 140 140 A 100 ALA C A 101 THR N A 101 THR CA A 101 THR C 1.0 -143.0 -121.0 PHI 141 141 A 101 THR N A 101 THR CA A 101 THR C A 102 ARG N 1.0 123.0 143.0 PSI 142 142 A 101 THR C A 102 ARG N A 102 ARG CA A 102 ARG C 1.0 -161.0 -101.0 PHI 143 143 A 102 ARG N A 102 ARG CA A 102 ARG C A 103 VAL N 1.0 108.0 168.0 PSI 144 144 A 102 ARG C A 103 VAL N A 103 VAL CA A 103 VAL C 1.0 -130.0 -90.0 PHI 145 145 A 103 VAL N A 103 VAL CA A 103 VAL C A 104 LYS N 1.0 105.0 145.0 PSI 146 146 A 103 VAL C A 104 LYS N A 104 LYS CA A 104 LYS C 1.0 -158.0 -88.0 PHI 147 147 A 104 LYS N A 104 LYS CA A 104 LYS C A 105 ASP N 1.0 96.0 166.0 PSI 148 148 A 104 LYS C A 105 ASP N A 105 ASP CA A 105 ASP C 1.0 -181.0 -61.0 PHI 149 149 A 105 ASP N A 105 ASP CA A 105 ASP C A 106 GLY N 1.0 40.0 160.0 PSI 150 150 A 105 ASP C A 106 GLY N A 106 GLY CA A 106 GLY C 1.0 71.0 111.0 PHI 151 151 A 106 GLY C A 107 ARG N A 107 ARG CA A 107 ARG C 1.0 -152.0 -92.0 PHI 152 152 A 107 ARG N A 107 ARG CA A 107 ARG C A 108 THR N 1.0 105.0 165.0 PSI 153 153 A 107 ARG C A 108 THR N A 108 THR CA A 108 THR C 1.0 -130.0 -35.0 PHI 154 154 A 108 THR N A 108 THR CA A 108 THR C A 109 LEU N 1.0 80.0 180.0 PSI 155 155 A 108 THR C A 109 LEU N A 109 LEU CA A 109 LEU C 1.0 -150.0 -106.0 PHI 156 156 A 109 LEU N A 109 LEU CA A 109 LEU C A 110 HIS N 1.0 137.0 167.0 PSI 157 157 A 109 LEU C A 110 HIS N A 110 HIS CA A 110 HIS C 1.0 -160.0 -128.0 PHI 158 158 A 110 HIS N A 110 HIS CA A 110 HIS C A 111 MET N 1.0 140.0 160.0 PSI 159 159 A 110 HIS C A 111 MET N A 111 MET CA A 111 MET C 1.0 -153.0 -133.0 PHI 160 160 A 111 MET N A 111 MET CA A 111 MET C A 112 MET N 1.0 122.0 150.0 PSI 161 161 A 111 MET C A 112 MET N A 112 MET CA A 112 MET C 1.0 -140.0 -104.0 PHI 162 162 A 112 MET N A 112 MET CA A 112 MET C A 113 ARG N 1.0 138.0 158.0 PSI 163 163 A 112 MET C A 113 ARG N A 113 ARG CA A 113 ARG C 1.0 -152.0 -130.0 PHI 164 164 A 113 ARG N A 113 ARG CA A 113 ARG C A 114 LEU N 1.0 134.0 160.0 PSI 165 165 A 113 ARG C A 114 LEU N A 114 LEU CA A 114 LEU C 1.0 -144.0 -98.0 PHI 166 166 A 114 LEU N A 114 LEU CA A 114 LEU C A 115 TYR N 1.0 126.0 146.0 PSI 167 167 A 114 LEU C A 115 TYR N A 115 TYR CA A 115 TYR C 1.0 -134.0 -104.0 PHI 168 168 A 115 TYR N A 115 TYR CA A 115 TYR C A 116 SER N 1.0 139.0 159.0 PSI 169 169 A 115 TYR C A 116 SER N A 116 SER CA A 116 SER C 1.0 -150.0 -110.0 PHI 170 170 A 116 SER N A 116 SER CA A 116 SER C A 117 ARG N 1.0 122.0 148.0 PSI 171 171 A 120 GLU C A 121 VAL N A 121 VAL CA A 121 VAL C 1.0 -117.0 -81.0 PHI 172 172 A 121 VAL N A 121 VAL CA A 121 VAL C A 122 SER N 1.0 115.0 135.0 PSI 173 173 A 121 VAL C A 122 SER N A 122 SER CA A 122 SER C 1.0 -109.0 -75.0 PHI 174 174 A 122 SER N A 122 SER CA A 122 SER C A 123 PRO N 1.0 108.0 140.0 PSI 175 175 A 123 PRO C A 124 ALA N A 124 ALA CA A 124 ALA C 1.0 -76.0 -56.0 PHI 176 176 A 124 ALA N A 124 ALA CA A 124 ALA C A 125 ALA N 1.0 -49.0 -29.0 PSI 177 177 A 124 ALA C A 125 ALA N A 125 ALA CA A 125 ALA C 1.0 -75.0 -55.0 PHI 178 178 A 125 ALA N A 125 ALA CA A 125 ALA C A 126 THR N 1.0 -53.0 -33.0 PSI 179 179 A 125 ALA C A 126 THR N A 126 THR CA A 126 THR C 1.0 -71.0 -51.0 PHI 180 180 A 126 THR N A 126 THR CA A 126 THR C A 127 ALA N 1.0 -55.0 -35.0 PSI 181 181 A 126 THR C A 127 ALA N A 127 ALA CA A 127 ALA C 1.0 -75.0 -55.0 PHI 182 182 A 127 ALA C A 128 ILE N A 128 ILE CA A 128 ILE C 1.0 -75.0 -55.0 PHI 183 183 A 128 ILE N A 128 ILE CA A 128 ILE C A 129 PHE N 1.0 -53.0 -33.0 PSI 184 184 A 128 ILE C A 129 PHE N A 129 PHE CA A 129 PHE C 1.0 -70.0 -50.0 PHI 185 185 A 129 PHE N A 129 PHE CA A 129 PHE C A 130 ARG N 1.0 -56.0 -36.0 PSI 186 186 A 129 PHE C A 130 ARG N A 130 ARG CA A 130 ARG C 1.0 -69.0 -49.0 PHI 187 187 A 130 ARG N A 130 ARG CA A 130 ARG C A 131 LYS N 1.0 -55.0 -35.0 PSI 188 188 A 130 ARG C A 131 LYS N A 131 LYS CA A 131 LYS C 1.0 -72.0 -52.0 PHI 189 189 A 131 LYS N A 131 LYS CA A 131 LYS C A 132 LEU N 1.0 -58.0 -38.0 PSI 190 190 A 131 LYS C A 132 LEU N A 132 LEU CA A 132 LEU C 1.0 -78.0 -58.0 PHI 191 191 A 132 LEU N A 132 LEU CA A 132 LEU C A 133 ALA N 1.0 -48.0 -28.0 PSI 192 192 A 132 LEU C A 133 ALA N A 133 ALA CA A 133 ALA C 1.0 -74.0 -54.0 PHI 193 193 A 133 ALA N A 133 ALA CA A 133 ALA C A 134 GLY N 1.0 -52.0 -32.0 PSI 194 194 A 133 ALA C A 134 GLY N A 134 GLY CA A 134 GLY C 1.0 -73.0 -53.0 PHI 195 195 A 134 GLY N A 134 GLY CA A 134 GLY C A 135 GLU N 1.0 -51.0 -31.0 PSI 196 196 A 134 GLY C A 135 GLU N A 135 GLU CA A 135 GLU C 1.0 -74.0 -54.0 PHI 197 197 A 135 GLU N A 135 GLU CA A 135 GLU C A 136 ARG N 1.0 -41.0 -17.0 PSI 198 198 A 135 GLU C A 136 ARG N A 136 ARG CA A 136 ARG C 1.0 -102.0 -82.0 PHI 199 199 A 136 ARG N A 136 ARG CA A 136 ARG C A 137 ASN N 1.0 6.0 26.0 PSI 200 200 A 136 ARG C A 137 ASN N A 137 ASN CA A 137 ASN C 1.0 49.0 69.0 PHI 201 201 A 137 ASN N A 137 ASN CA A 137 ASN C A 138 TYR N 1.0 20.0 40.0 PSI 202 202 A 138 TYR C A 139 THR N A 139 THR CA A 139 THR C 1.0 -120.0 -74.0 PHI 203 203 A 139 THR N A 139 THR CA A 139 THR C A 140 ASP N 1.0 157.0 177.0 PSI 204 204 A 139 THR C A 140 ASP N A 140 ASP CA A 140 ASP C 1.0 -71.0 -47.0 PHI 205 205 A 140 ASP N A 140 ASP CA A 140 ASP C A 141 GLU N 1.0 -48.0 -22.0 PSI 206 206 A 140 ASP C A 141 GLU N A 141 GLU CA A 141 GLU C 1.0 -76.0 -56.0 PHI 207 207 A 141 GLU N A 141 GLU CA A 141 GLU C A 142 MET N 1.0 -47.0 -13.0 PSI 208 208 A 141 GLU C A 142 MET N A 142 MET CA A 142 MET C 1.0 -105.0 -79.0 PHI 209 209 A 142 MET N A 142 MET CA A 142 MET C A 143 VAL N 1.0 -40.0 0.0 PSI 210 210 A 142 MET C A 143 VAL N A 143 VAL CA A 143 VAL C 1.0 -131.0 -105.0 PHI 211 211 A 143 VAL N A 143 VAL CA A 143 VAL C A 144 ALA N 1.0 123.0 143.0 PSI 212 212 A 143 VAL C A 144 ALA N A 144 ALA CA A 144 ALA C 1.0 -141.0 -97.0 PHI 213 213 A 144 ALA N A 144 ALA CA A 144 ALA C A 145 MET N 1.0 110.0 138.0 PSI 214 214 A 144 ALA C A 145 MET N A 145 MET CA A 145 MET C 1.0 -109.0 -85.0 PHI 215 215 A 145 MET N A 145 MET CA A 145 MET C A 146 LEU N 1.0 86.0 146.0 PSI 216 216 A 145 MET C A 146 LEU N A 146 LEU CA A 146 LEU C 1.0 -120.0 -80.0 PHI 217 217 A 146 LEU N A 146 LEU CA A 146 LEU C A 147 PRO N 1.0 97.0 139.0 PSI 218 218 A 147 PRO C A 148 ARG N A 148 ARG CA A 148 ARG C 1.0 -93.0 -59.0 PHI 219 219 A 148 ARG N A 148 ARG CA A 148 ARG C A 149 GLN N 1.0 -45.0 -13.0 PSI 220 220 A 149 GLN C A 150 GLU N A 150 GLU CA A 150 GLU C 1.0 -145.0 -55.0 PHI 221 221 A 150 GLU N A 150 GLU CA A 150 GLU C A 151 GLU N 1.0 122.0 182.0 PSI 222 222 A 151 GLU C A 152 CYS N A 152 CYS CA A 152 CYS C 1.0 -156.0 -94.0 PHI 223 223 A 152 CYS N A 152 CYS CA A 152 CYS C A 153 THR N 1.0 134.0 162.0 PSI 224 224 A 152 CYS C A 153 THR N A 153 THR CA A 153 THR C 1.0 -154.0 -124.0 PHI 225 225 A 153 THR N A 153 THR CA A 153 THR C A 154 VAL N 1.0 138.0 160.0 PSI 226 226 A 153 THR C A 154 VAL N A 154 VAL CA A 154 VAL C 1.0 -134.0 -70.0 PHI 227 227 A 154 VAL N A 154 VAL CA A 154 VAL C A 155 ASP N 1.0 140.0 160.0 PSI 228 228 A 154 VAL C A 155 ASP N A 155 ASP CA A 155 ASP C 1.0 -115.0 -51.0 PHI 229 229 A 155 ASP N A 155 ASP CA A 155 ASP C A 156 GLU N 1.0 122.0 162.0 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_8 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_8 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 8 GLU N A 8 GLU H 1.0 . . . 2 2 A 9 ILE N A 9 ILE H 1.0 . . . 3 3 A 10 ALA N A 10 ALA H 1.0 . . . 4 4 A 11 GLY N A 11 GLY H 1.0 . . . 5 5 A 13 TRP N A 13 TRP H 1.0 . . . 6 6 A 14 TYR N A 14 TYR H 1.0 . . . 7 7 A 15 VAL N A 15 VAL H 1.0 . . . 8 8 A 17 ALA N A 17 ALA H 1.0 . . . 9 9 A 18 LEU N A 18 LEU H 1.0 . . . 10 10 A 19 ALA N A 19 ALA H 1.0 . . . 11 11 A 20 SER N A 20 SER H 1.0 . . . 12 12 A 21 ASN N A 21 ASN H 1.0 . . . 13 13 A 22 THR N A 22 THR H 1.0 . . . 14 14 A 23 GLU N A 23 GLU H 1.0 . . . 15 15 A 24 PHE N A 24 PHE H 1.0 . . . 16 16 A 25 PHE N A 25 PHE H 1.0 . . . 17 17 A 26 LEU N A 26 LEU H 1.0 . . . 18 18 A 27 ARG N A 27 ARG H 1.0 . . . 19 19 A 28 GLU N A 28 GLU H 1.0 . . . 20 20 A 29 LYS N A 29 LYS H 1.0 . . . 21 21 A 30 ASP N A 30 ASP H 1.0 . . . 22 22 A 31 LYS N A 31 LYS H 1.0 . . . 23 23 A 32 MET N A 32 MET H 1.0 . . . 24 24 A 33 LYS N A 33 LYS H 1.0 . . . 25 25 A 34 MET N A 34 MET H 1.0 . . . 26 26 A 35 ALA N A 35 ALA H 1.0 . . . 27 27 A 36 MET N A 36 MET H 1.0 . . . 28 28 A 37 ALA N A 37 ALA H 1.0 . . . 29 29 A 38 ARG N A 38 ARG H 1.0 . . . 30 30 A 39 ILE N A 39 ILE H 1.0 . . . 31 31 A 40 SER N A 40 SER H 1.0 . . . 32 32 A 41 PHE N A 41 PHE H 1.0 . . . 33 33 A 42 LEU N A 42 LEU H 1.0 . . . 34 34 A 47 LEU N A 47 LEU H 1.0 . . . 35 35 A 48 LYS N A 48 LYS H 1.0 . . . 36 36 A 49 VAL N A 49 VAL H 1.0 . . . 37 37 A 50 SER N A 50 SER H 1.0 . . . 38 38 A 51 TYR N A 51 TYR H 1.0 . . . 39 39 A 52 ALA N A 52 ALA H 1.0 . . . 40 40 A 53 VAL N A 53 VAL H 1.0 . . . 41 41 A 61 LYS N A 61 LYS H 1.0 . . . 42 42 A 62 TRP N A 62 TRP H 1.0 . . . 43 43 A 63 GLU N A 63 GLU H 1.0 . . . 44 44 A 64 THR N A 64 THR H 1.0 . . . 45 45 A 66 PHE N A 66 PHE H 1.0 . . . 46 46 A 67 LYS N A 67 LYS H 1.0 . . . 47 47 A 68 LYS N A 68 LYS H 1.0 . . . 48 48 A 69 THR N A 69 THR H 1.0 . . . 49 49 A 70 SER N A 70 SER H 1.0 . . . 50 50 A 71 ASP N A 71 ASP H 1.0 . . . 51 51 A 72 ASP N A 72 ASP H 1.0 . . . 52 52 A 74 GLU N A 74 GLU H 1.0 . . . 53 53 A 75 VAL N A 75 VAL H 1.0 . . . 54 54 A 76 TYR N A 76 TYR H 1.0 . . . 55 55 A 77 TYR N A 77 TYR H 1.0 . . . 56 56 A 78 SER N A 78 SER H 1.0 . . . 57 57 A 79 GLU N A 79 GLU H 1.0 . . . 58 58 A 80 GLU N A 80 GLU H 1.0 . . . 59 59 A 82 LYS N A 82 LYS H 1.0 . . . 60 60 A 83 LYS N A 83 LYS H 1.0 . . . 61 61 A 84 LYS N A 84 LYS H 1.0 . . . 62 62 A 85 VAL N A 85 VAL H 1.0 . . . 63 63 A 86 GLU N A 86 GLU H 1.0 . . . 64 64 A 87 VAL N A 87 VAL H 1.0 . . . 65 65 A 88 LEU N A 88 LEU H 1.0 . . . 66 66 A 89 ASP N A 89 ASP H 1.0 . . . 67 67 A 90 THR N A 90 THR H 1.0 . . . 68 68 A 91 ASP N A 91 ASP H 1.0 . . . 69 69 A 92 TYR N A 92 TYR H 1.0 . . . 70 70 A 93 LYS N A 93 LYS H 1.0 . . . 71 71 A 95 TYR N A 95 TYR H 1.0 . . . 72 72 A 96 ALA N A 96 ALA H 1.0 . . . 73 73 A 97 VAL N A 97 VAL H 1.0 . . . 74 74 A 98 ILE N A 98 ILE H 1.0 . . . 75 75 A 99 TYR N A 99 TYR H 1.0 . . . 76 76 A 100 ALA N A 100 ALA H 1.0 . . . 77 77 A 101 THR N A 101 THR H 1.0 . . . 78 78 A 102 ARG N A 102 ARG H 1.0 . . . 79 79 A 103 VAL N A 103 VAL H 1.0 . . . 80 80 A 104 LYS N A 104 LYS H 1.0 . . . 81 81 A 106 GLY N A 106 GLY H 1.0 . . . 82 82 A 107 ARG N A 107 ARG H 1.0 . . . 83 83 A 108 THR N A 108 THR H 1.0 . . . 84 84 A 109 LEU N A 109 LEU H 1.0 . . . 85 85 A 110 HIS N A 110 HIS H 1.0 . . . 86 86 A 111 MET N A 111 MET H 1.0 . . . 87 87 A 112 MET N A 112 MET H 1.0 . . . 88 88 A 113 ARG N A 113 ARG H 1.0 . . . 89 89 A 114 LEU N A 114 LEU H 1.0 . . . 90 90 A 115 TYR N A 115 TYR H 1.0 . . . 91 91 A 116 SER N A 116 SER H 1.0 . . . 92 92 A 117 ARG N A 117 ARG H 1.0 . . . 93 93 A 118 SER N A 118 SER H 1.0 . . . 94 94 A 122 SER N A 122 SER H 1.0 . . . 95 95 A 124 ALA N A 124 ALA H 1.0 . . . 96 96 A 125 ALA N A 125 ALA H 1.0 . . . 97 97 A 126 THR N A 126 THR H 1.0 . . . 98 98 A 127 ALA N A 127 ALA H 1.0 . . . 99 99 A 128 ILE N A 128 ILE H 1.0 . . . 100 100 A 129 PHE N A 129 PHE H 1.0 . . . 101 101 A 130 ARG N A 130 ARG H 1.0 . . . 102 102 A 131 LYS N A 131 LYS H 1.0 . . . 103 103 A 132 LEU N A 132 LEU H 1.0 . . . 104 104 A 134 GLY N A 134 GLY H 1.0 . . . 105 105 A 135 GLU N A 135 GLU H 1.0 . . . 106 106 A 136 ARG N A 136 ARG H 1.0 . . . 107 107 A 137 ASN N A 137 ASN H 1.0 . . . 108 108 A 138 TYR N A 138 TYR H 1.0 . . . 109 109 A 140 ASP N A 140 ASP H 1.0 . . . 110 110 A 141 GLU N A 141 GLU H 1.0 . . . 111 111 A 142 MET N A 142 MET H 1.0 . . . 112 112 A 143 VAL N A 143 VAL H 1.0 . . . 113 113 A 144 ALA N A 144 ALA H 1.0 . . . 114 114 A 145 MET N A 145 MET H 1.0 . . . 115 115 A 146 LEU N A 146 LEU H 1.0 . . . 116 116 A 148 ARG N A 148 ARG H 1.0 . . . 117 117 A 150 GLU N A 150 GLU H 1.0 . . . 118 118 A 151 GLU N A 151 GLU H 1.0 . . . 119 119 A 152 CYS N A 152 CYS H 1.0 . . . 120 120 A 153 THR N A 153 THR H 1.0 . . . 121 121 A 154 VAL N A 154 VAL H 1.0 . . . 122 122 A 13 TRP NE1 A 13 TRP HE1 1.0 . . . 123 123 A 62 TRP NE1 A 62 TRP HE1 1.0 . . . stop_ save_