data_nef_c34281_6gq9 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6GQ9 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLY middle . false 3 A 3 VAL middle . . 4 A 4 PHE middle . . 5 A 5 CYS middle . . 6 A 6 TYR middle . . 7 A 7 GLU middle . . 8 A 8 ASP middle . . 9 A 9 GLU middle . . 10 A 10 ALA middle . . 11 A 11 THR middle . . 12 A 12 SER middle . . 13 A 13 VAL middle . . 14 A 14 ILE middle . . 15 A 15 PRO middle . false 16 A 16 PRO middle . false 17 A 17 ALA middle . . 18 A 18 ARG middle . . 19 A 19 LEU middle . . 20 A 20 PHE middle . . 21 A 21 LYS middle . . 22 A 22 SER middle . . 23 A 23 PHE middle . . 24 A 24 VAL middle . . 25 A 25 LEU middle . . 26 A 26 ASP middle . . 27 A 27 ALA middle . . 28 A 28 ASP middle . . 29 A 29 ASN middle . . 30 A 30 LEU middle . . 31 A 31 ILE middle . . 32 A 32 PRO middle . false 33 A 33 LYS middle . . 34 A 34 VAL middle . . 35 A 35 ALA middle . . 36 A 36 PRO middle . false 37 A 37 GLN middle . . 38 A 38 HIS middle . . 39 A 39 PHE middle . . 40 A 40 THR middle . . 41 A 41 SER middle . . 42 A 42 ALA middle . . 43 A 43 GLU middle . . 44 A 44 ASN middle . . 45 A 45 LEU middle . . 46 A 46 GLU middle . . 47 A 47 GLY middle . false 48 A 48 ASN middle . . 49 A 49 GLY middle . false 50 A 50 GLY middle . false 51 A 51 PRO middle . false 52 A 52 GLY middle . false 53 A 53 THR middle . . 54 A 54 ILE middle . . 55 A 55 LYS middle . . 56 A 56 LYS middle . . 57 A 57 ILE middle . . 58 A 58 THR middle . . 59 A 59 PHE middle . . 60 A 60 ALA middle . . 61 A 61 GLU middle . . 62 A 62 GLY middle . false 63 A 63 ASN middle . . 64 A 64 GLU middle . . 65 A 65 PHE middle . . 66 A 66 LYS middle . . 67 A 67 TYR middle . . 68 A 68 MET middle . . 69 A 69 LYS middle . . 70 A 70 HIS middle . . 71 A 71 LYS middle . . 72 A 72 VAL middle . . 73 A 73 GLU middle . . 74 A 74 GLU middle . . 75 A 75 ILE middle . . 76 A 76 ASP middle . . 77 A 77 HIS middle . . 78 A 78 ALA middle . . 79 A 79 ASN middle . . 80 A 80 PHE middle . . 81 A 81 LYS middle . . 82 A 82 TYR middle . . 83 A 83 CYS middle . . 84 A 84 TYR middle . . 85 A 85 SER middle . . 86 A 86 ILE middle . . 87 A 87 ILE middle . . 88 A 88 GLU middle . . 89 A 89 GLY middle . false 90 A 90 GLY middle . false 91 A 91 PRO middle . false 92 A 92 LEU middle . . 93 A 93 GLY middle . false 94 A 94 HIS middle . . 95 A 95 THR middle . . 96 A 96 LEU middle . . 97 A 97 GLU middle . . 98 A 98 LYS middle . . 99 A 99 ILE middle . . 100 A 100 SER middle . . 101 A 101 TYR middle . . 102 A 102 GLU middle . . 103 A 103 ILE middle . . 104 A 104 LYS middle . . 105 A 105 MET middle . . 106 A 106 ALA middle . . 107 A 107 ALA middle . . 108 A 108 ALA middle . . 109 A 109 PRO middle . false 110 A 110 HIS middle . . 111 A 111 GLY middle . false 112 A 112 GLY middle . false 113 A 113 GLY middle . false 114 A 114 SER middle . . 115 A 115 ILE middle . . 116 A 116 LEU middle . . 117 A 117 LYS middle . . 118 A 118 ILE middle . . 119 A 119 THR middle . . 120 A 120 SER middle . . 121 A 121 LYS middle . . 122 A 122 TYR middle . . 123 A 123 HIS middle . . 124 A 124 THR middle . . 125 A 125 LYS middle . . 126 A 126 GLY middle . false 127 A 127 ASN middle . . 128 A 128 ALA middle . . 129 A 129 SER middle . . 130 A 130 ILE middle . . 131 A 131 ASN middle . . 132 A 132 GLU middle . . 133 A 133 GLU middle . . 134 A 134 GLU middle . . 135 A 135 ILE middle . . 136 A 136 LYS middle . . 137 A 137 ALA middle . . 138 A 138 GLY middle . false 139 A 139 LYS middle . . 140 A 140 GLU middle . . 141 A 141 LYS middle . . 142 A 142 ALA middle . . 143 A 143 ALA middle . . 144 A 144 GLY middle . false 145 A 145 LEU middle . . 146 A 146 PHE middle . . 147 A 147 LYS middle . . 148 A 148 ALA middle . . 149 A 149 VAL middle . . 150 A 150 GLU middle . . 151 A 151 ALA middle . . 152 A 152 TYR middle . . 153 A 153 LEU middle . . 154 A 154 LEU middle . . 155 A 155 ALA middle . . 156 A 156 HIS middle . . 157 A 157 PRO middle . false 158 A 158 ASP middle . . 159 A 159 ALA middle . . 160 A 160 TYR middle . . 161 A 161 CYS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 GLY HAy H 1 4.08 0.03 A 2 GLY HAx H 1 3.93 0.03 A 2 GLY C C 13 172.56 0.20 A 2 GLY CA C 13 44.98 0.20 A 3 VAL H H 1 7.74 0.03 A 3 VAL HA H 1 4.92 0.03 A 3 VAL HB H 1 1.62 0.03 A 3 VAL HGx% H 1 0.37 0.03 A 3 VAL HGy% H 1 0.50 0.03 A 3 VAL C C 13 174.38 0.20 A 3 VAL CA C 13 61.22 0.20 A 3 VAL CB C 13 33.65 0.20 A 3 VAL CGx C 13 20.61 0.20 A 3 VAL CGy C 13 20.61 0.20 A 3 VAL N N 15 120.59 0.20 A 4 PHE H H 1 8.79 0.03 A 4 PHE HA H 1 4.61 0.03 A 4 PHE HBy H 1 3.22 0.03 A 4 PHE HBx H 1 2.86 0.03 A 4 PHE HD1 H 1 7.25 0.03 A 4 PHE HD2 H 1 7.25 0.03 A 4 PHE HE1 H 1 7.37 0.03 A 4 PHE HE2 H 1 7.37 0.03 A 4 PHE C C 13 173.89 0.20 A 4 PHE CA C 13 56.80 0.20 A 4 PHE CB C 13 41.78 0.20 A 4 PHE CD1 C 13 132.60 0.20 A 4 PHE CE1 C 13 131.28 0.20 A 4 PHE N N 15 127.57 0.20 A 5 CYS H H 1 8.64 0.03 A 5 CYS HA H 1 5.60 0.03 A 5 CYS HBx H 1 2.77 0.03 A 5 CYS HBy H 1 2.99 0.03 A 5 CYS C C 13 172.51 0.20 A 5 CYS CA C 13 55.56 0.20 A 5 CYS CB C 13 42.49 0.20 A 5 CYS N N 15 124.17 0.20 A 6 TYR H H 1 9.30 0.03 A 6 TYR HA H 1 4.77 0.03 A 6 TYR HBx H 1 2.93 0.03 A 6 TYR HBy H 1 3.15 0.03 A 6 TYR HD1 H 1 7.17 0.03 A 6 TYR HD2 H 1 7.17 0.03 A 6 TYR HE1 H 1 6.57 0.03 A 6 TYR HE2 H 1 6.57 0.03 A 6 TYR C C 13 173.82 0.20 A 6 TYR CA C 13 57.86 0.20 A 6 TYR CB C 13 41.95 0.20 A 6 TYR CD1 C 13 133.31 0.20 A 6 TYR CE1 C 13 118.27 0.20 A 6 TYR N N 15 126.11 0.20 A 7 GLU H H 1 8.70 0.03 A 7 GLU HA H 1 5.31 0.03 A 7 GLU HBy H 1 1.99 0.03 A 7 GLU HBx H 1 1.92 0.03 A 7 GLU HGy H 1 2.30 0.03 A 7 GLU HGx H 1 2.22 0.03 A 7 GLU C C 13 174.96 0.20 A 7 GLU CA C 13 55.19 0.20 A 7 GLU CB C 13 33.32 0.20 A 7 GLU CG C 13 36.80 0.20 A 7 GLU N N 15 121.24 0.20 A 8 ASP H H 1 8.93 0.03 A 8 ASP HA H 1 5.18 0.03 A 8 ASP HBy H 1 2.65 0.03 A 8 ASP HBx H 1 2.53 0.03 A 8 ASP CA C 13 53.44 0.20 A 8 ASP CB C 13 45.73 0.20 A 8 ASP N N 15 122.86 0.20 A 9 GLU HA H 1 5.07 0.03 A 9 GLU HBx H 1 1.75 0.03 A 9 GLU HBy H 1 1.92 0.03 A 9 GLU HGy H 1 1.99 0.03 A 9 GLU HGx H 1 1.93 0.03 A 9 GLU C C 13 174.95 0.20 A 9 GLU CA C 13 54.78 0.20 A 9 GLU CB C 13 33.92 0.20 A 9 GLU CG C 13 37.19 0.20 A 10 ALA H H 1 8.99 0.03 A 10 ALA HA H 1 4.82 0.03 A 10 ALA HB% H 1 1.20 0.03 A 10 ALA C C 13 175.49 0.20 A 10 ALA CA C 13 50.80 0.20 A 10 ALA CB C 13 22.58 0.20 A 10 ALA N N 15 126.14 0.20 A 11 THR H H 1 8.37 0.03 A 11 THR HA H 1 5.02 0.03 A 11 THR HB H 1 4.29 0.03 A 11 THR HG2% H 1 1.21 0.03 A 11 THR C C 13 173.38 0.20 A 11 THR CA C 13 60.10 0.20 A 11 THR CB C 13 71.62 0.20 A 11 THR CG2 C 13 22.00 0.20 A 11 THR N N 15 110.57 0.20 A 12 SER H H 1 8.35 0.03 A 12 SER HA H 1 5.09 0.03 A 12 SER HBx H 1 3.37 0.03 A 12 SER HBy H 1 3.79 0.03 A 12 SER C C 13 175.37 0.20 A 12 SER CA C 13 56.04 0.20 A 12 SER CB C 13 66.02 0.20 A 12 SER N N 15 112.85 0.20 A 13 VAL H H 1 8.26 0.03 A 13 VAL HA H 1 4.36 0.03 A 13 VAL HB H 1 2.42 0.03 A 13 VAL HGx% H 1 1.04 0.03 A 13 VAL HGy% H 1 0.93 0.03 A 13 VAL C C 13 175.88 0.20 A 13 VAL CA C 13 62.76 0.20 A 13 VAL CB C 13 31.56 0.20 A 13 VAL CGy C 13 21.37 0.20 A 13 VAL CGx C 13 18.89 0.20 A 13 VAL N N 15 120.87 0.20 A 14 ILE H H 1 8.53 0.03 A 14 ILE HA H 1 4.41 0.03 A 14 ILE HB H 1 2.08 0.03 A 14 ILE HD1% H 1 0.77 0.03 A 14 ILE HG1y H 1 1.54 0.03 A 14 ILE HG1x H 1 1.33 0.03 A 14 ILE HG2% H 1 1.14 0.03 A 14 ILE CA C 13 56.87 0.20 A 14 ILE CB C 13 37.07 0.20 A 14 ILE CD1 C 13 10.63 0.20 A 14 ILE CG1 C 13 27.13 0.20 A 14 ILE CG2 C 13 16.76 0.20 A 14 ILE N N 15 125.19 0.20 A 16 PRO HA H 1 3.91 0.03 A 16 PRO HBx H 1 1.01 0.03 A 16 PRO HBy H 1 1.46 0.03 A 16 PRO HDy H 1 3.65 0.03 A 16 PRO HDx H 1 3.59 0.03 A 16 PRO HGx H 1 1.67 0.03 A 16 PRO HGy H 1 1.83 0.03 A 16 PRO C C 13 177.55 0.20 A 16 PRO CA C 13 65.75 0.20 A 16 PRO CB C 13 30.79 0.20 A 16 PRO CD C 13 50.01 0.20 A 16 PRO CG C 13 27.03 0.20 A 17 ALA H H 1 8.26 0.03 A 17 ALA HA H 1 3.83 0.03 A 17 ALA HB% H 1 1.53 0.03 A 17 ALA C C 13 180.17 0.20 A 17 ALA CA C 13 55.77 0.20 A 17 ALA CB C 13 18.16 0.20 A 17 ALA N N 15 117.85 0.20 A 18 ARG H H 1 6.81 0.03 A 18 ARG HA H 1 4.20 0.03 A 18 ARG HBx H 1 1.68 0.03 A 18 ARG HBy H 1 1.88 0.03 A 18 ARG HDy H 1 3.25 0.03 A 18 ARG HGy H 1 2.03 0.03 A 18 ARG HGx H 1 1.37 0.03 A 18 ARG C C 13 179.06 0.20 A 18 ARG CA C 13 58.97 0.20 A 18 ARG CB C 13 30.25 0.20 A 18 ARG CD C 13 44.37 0.20 A 18 ARG CG C 13 28.80 0.20 A 18 ARG N N 15 116.11 0.20 A 19 LEU H H 1 7.67 0.03 A 19 LEU HA H 1 3.86 0.03 A 19 LEU HBx H 1 1.59 0.03 A 19 LEU HBy H 1 1.59 0.03 A 19 LEU HDx% H 1 0.86 0.03 A 19 LEU HDy% H 1 0.80 0.03 A 19 LEU HG H 1 1.51 0.03 A 19 LEU C C 13 177.90 0.20 A 19 LEU CA C 13 57.08 0.20 A 19 LEU CB C 13 42.68 0.20 A 19 LEU CDx C 13 24.05 0.20 A 19 LEU CDy C 13 24.05 0.20 A 19 LEU CG C 13 26.75 0.20 A 19 LEU N N 15 121.05 0.20 A 20 PHE H H 1 9.17 0.03 A 20 PHE HA H 1 3.89 0.03 A 20 PHE HBy H 1 3.32 0.03 A 20 PHE HBx H 1 2.96 0.03 A 20 PHE HD1 H 1 7.29 0.03 A 20 PHE HD2 H 1 7.29 0.03 A 20 PHE C C 13 178.06 0.20 A 20 PHE CA C 13 62.89 0.20 A 20 PHE CB C 13 40.05 0.20 A 20 PHE CD1 C 13 131.60 0.20 A 20 PHE N N 15 120.05 0.20 A 21 LYS H H 1 7.92 0.03 A 21 LYS HA H 1 3.86 0.03 A 21 LYS HBy H 1 2.10 0.03 A 21 LYS HBx H 1 2.02 0.03 A 21 LYS HDy H 1 1.82 0.03 A 21 LYS HEx H 1 3.04 0.03 A 21 LYS HGy H 1 1.82 0.03 A 21 LYS HGx H 1 1.76 0.03 A 21 LYS C C 13 174.86 0.20 A 21 LYS CA C 13 59.45 0.20 A 21 LYS CB C 13 33.39 0.20 A 21 LYS CD C 13 29.73 0.20 A 21 LYS CE C 13 42.04 0.20 A 21 LYS CG C 13 26.00 0.20 A 21 LYS N N 15 116.20 0.20 A 22 SER H H 1 6.99 0.03 A 22 SER HA H 1 3.29 0.03 A 22 SER HBx H 1 2.50 0.03 A 22 SER HBy H 1 2.85 0.03 A 22 SER C C 13 173.11 0.20 A 22 SER CA C 13 57.87 0.20 A 22 SER CB C 13 62.86 0.20 A 22 SER N N 15 110.33 0.20 A 23 PHE H H 1 8.32 0.03 A 23 PHE HA H 1 4.48 0.03 A 23 PHE HBy H 1 3.00 0.03 A 23 PHE HBx H 1 2.92 0.03 A 23 PHE HD1 H 1 6.88 0.03 A 23 PHE HD2 H 1 6.88 0.03 A 23 PHE HE1 H 1 6.99 0.03 A 23 PHE HE2 H 1 6.99 0.03 A 23 PHE CA C 13 59.77 0.20 A 23 PHE CB C 13 40.40 0.20 A 23 PHE CD1 C 13 131.14 0.20 A 23 PHE CE1 C 13 129.60 0.20 A 23 PHE N N 15 119.94 0.20 A 24 VAL H H 1 6.59 0.03 A 24 VAL HA H 1 3.38 0.03 A 24 VAL HB H 1 1.41 0.03 A 24 VAL HGx% H 1 -0.39 0.03 A 24 VAL HGy% H 1 0.52 0.03 A 24 VAL C C 13 178.42 0.20 A 24 VAL CA C 13 63.66 0.20 A 24 VAL CB C 13 30.30 0.20 A 24 VAL CGx C 13 19.79 0.20 A 24 VAL CGy C 13 21.32 0.20 A 24 VAL N N 15 109.74 0.20 A 25 LEU H H 1 7.62 0.03 A 25 LEU HA H 1 3.75 0.03 A 25 LEU HBx H 1 1.48 0.03 A 25 LEU HBy H 1 1.99 0.03 A 25 LEU HDx% H 1 0.69 0.03 A 25 LEU HDy% H 1 1.08 0.03 A 25 LEU HG H 1 1.12 0.03 A 25 LEU C C 13 177.86 0.20 A 25 LEU CA C 13 57.37 0.20 A 25 LEU CB C 13 40.29 0.20 A 25 LEU CDx C 13 21.72 0.20 A 25 LEU CDy C 13 26.10 0.20 A 25 LEU CG C 13 26.10 0.20 A 25 LEU N N 15 114.64 0.20 A 26 ASP H H 1 7.13 0.03 A 26 ASP HA H 1 5.52 0.03 A 26 ASP HBx H 1 2.62 0.03 A 26 ASP HBy H 1 2.87 0.03 A 26 ASP C C 13 176.96 0.20 A 26 ASP CA C 13 52.64 0.20 A 26 ASP CB C 13 43.13 0.20 A 26 ASP N N 15 117.70 0.20 A 27 ALA H H 1 6.52 0.03 A 27 ALA HA H 1 3.50 0.03 A 27 ALA HB% H 1 1.21 0.03 A 27 ALA C C 13 178.33 0.20 A 27 ALA CA C 13 56.38 0.20 A 27 ALA CB C 13 19.06 0.20 A 27 ALA N N 15 123.00 0.20 A 28 ASP H H 1 8.13 0.03 A 28 ASP HA H 1 4.05 0.03 A 28 ASP HBx H 1 2.42 0.03 A 28 ASP HBy H 1 2.55 0.03 A 28 ASP C C 13 176.34 0.20 A 28 ASP CA C 13 57.10 0.20 A 28 ASP CB C 13 40.09 0.20 A 28 ASP N N 15 113.25 0.20 A 29 ASN H H 1 7.14 0.03 A 29 ASN HA H 1 4.72 0.03 A 29 ASN HBy H 1 2.72 0.03 A 29 ASN HBx H 1 2.63 0.03 A 29 ASN CA C 13 53.70 0.20 A 29 ASN CB C 13 40.40 0.20 A 29 ASN N N 15 111.62 0.20 A 30 LEU H H 1 8.45 0.03 A 30 LEU HA H 1 3.98 0.03 A 30 LEU HBx H 1 1.30 0.03 A 30 LEU HBy H 1 1.52 0.03 A 30 LEU HDx% H 1 0.54 0.03 A 30 LEU HDy% H 1 0.46 0.03 A 30 LEU HG H 1 1.11 0.03 A 30 LEU CA C 13 57.40 0.20 A 30 LEU CB C 13 42.93 0.20 A 30 LEU CDy C 13 26.46 0.20 A 30 LEU CDx C 13 22.66 0.20 A 30 LEU CG C 13 26.46 0.20 A 30 LEU N N 15 120.91 0.20 A 31 ILE H H 1 8.30 0.03 A 31 ILE HA H 1 3.44 0.03 A 31 ILE HB H 1 1.61 0.03 A 31 ILE HD1% H 1 0.59 0.03 A 31 ILE HG1x H 1 1.00 0.03 A 31 ILE HG1y H 1 1.36 0.03 A 31 ILE HG2% H 1 0.29 0.03 A 31 ILE CA C 13 66.69 0.20 A 31 ILE CB C 13 33.22 0.20 A 31 ILE CD1 C 13 11.85 0.20 A 31 ILE CG1 C 13 29.53 0.20 A 31 ILE CG2 C 13 17.71 0.20 A 31 ILE N N 15 117.95 0.20 A 32 PRO HA H 1 4.26 0.03 A 32 PRO HBy H 1 2.43 0.03 A 32 PRO HBx H 1 1.58 0.03 A 32 PRO HDx H 1 2.98 0.03 A 32 PRO HDy H 1 3.19 0.03 A 32 PRO HGx H 1 1.47 0.03 A 32 PRO HGy H 1 2.03 0.03 A 32 PRO C C 13 177.45 0.20 A 32 PRO CA C 13 65.59 0.20 A 32 PRO CB C 13 31.87 0.20 A 32 PRO CD C 13 50.26 0.20 A 32 PRO CG C 13 28.33 0.20 A 33 LYS H H 1 6.75 0.03 A 33 LYS HA H 1 4.13 0.03 A 33 LYS HBy H 1 1.82 0.03 A 33 LYS HBx H 1 1.75 0.03 A 33 LYS HDx H 1 1.49 0.03 A 33 LYS HDy H 1 1.59 0.03 A 33 LYS HEy H 1 2.90 0.03 A 33 LYS HGy H 1 1.30 0.03 A 33 LYS C C 13 178.09 0.20 A 33 LYS CA C 13 58.04 0.20 A 33 LYS CB C 13 33.07 0.20 A 33 LYS CD C 13 29.32 0.20 A 33 LYS CE C 13 42.02 0.20 A 33 LYS CG C 13 24.86 0.20 A 33 LYS N N 15 111.78 0.20 A 34 VAL H H 1 7.60 0.03 A 34 VAL HA H 1 4.20 0.03 A 34 VAL HB H 1 1.99 0.03 A 34 VAL HGx% H 1 0.65 0.03 A 34 VAL HGy% H 1 0.58 0.03 A 34 VAL CA C 13 61.89 0.20 A 34 VAL CB C 13 33.36 0.20 A 34 VAL CGy C 13 21.95 0.20 A 34 VAL CGx C 13 20.17 0.20 A 34 VAL N N 15 112.46 0.20 A 41 SER H H 1 7.81 0.03 A 41 SER HA H 1 4.70 0.03 A 41 SER HBx H 1 3.86 0.03 A 41 SER HBy H 1 3.86 0.03 A 41 SER C C 13 171.15 0.20 A 41 SER CA C 13 58.22 0.20 A 41 SER CB C 13 65.18 0.20 A 41 SER N N 15 113.10 0.20 A 42 ALA H H 1 8.68 0.03 A 42 ALA HA H 1 5.14 0.03 A 42 ALA HB% H 1 1.03 0.03 A 42 ALA C C 13 175.46 0.20 A 42 ALA CA C 13 51.01 0.20 A 42 ALA CB C 13 23.18 0.20 A 42 ALA N N 15 124.50 0.20 A 43 GLU H H 1 8.34 0.03 A 43 GLU HA H 1 4.60 0.03 A 43 GLU HBx H 1 1.90 0.03 A 43 GLU HBy H 1 1.90 0.03 A 43 GLU HGy H 1 2.04 0.03 A 43 GLU C C 13 174.86 0.20 A 43 GLU CA C 13 54.22 0.20 A 43 GLU CB C 13 33.94 0.20 A 43 GLU CG C 13 35.98 0.20 A 43 GLU N N 15 119.53 0.20 A 44 ASN H H 1 9.15 0.03 A 44 ASN HA H 1 4.84 0.03 A 44 ASN HBy H 1 2.76 0.03 A 44 ASN HBx H 1 2.44 0.03 A 44 ASN HD21 H 1 7.37 0.03 A 44 ASN HD22 H 1 6.78 0.03 A 44 ASN C C 13 175.15 0.20 A 44 ASN CA C 13 53.31 0.20 A 44 ASN CB C 13 37.34 0.20 A 44 ASN N N 15 123.83 0.20 A 45 LEU H H 1 9.34 0.03 A 45 LEU HA H 1 4.34 0.03 A 45 LEU HBy H 1 1.62 0.03 A 45 LEU HDx% H 1 0.85 0.03 A 45 LEU HDy% H 1 0.78 0.03 A 45 LEU HG H 1 1.63 0.03 A 45 LEU C C 13 177.52 0.20 A 45 LEU CA C 13 56.19 0.20 A 45 LEU CB C 13 42.78 0.20 A 45 LEU CDy C 13 25.82 0.20 A 45 LEU CDx C 13 22.37 0.20 A 45 LEU CG C 13 26.94 0.20 A 45 LEU N N 15 127.19 0.20 A 46 GLU H H 1 7.71 0.03 A 46 GLU HA H 1 4.54 0.03 A 46 GLU HBx H 1 1.92 0.03 A 46 GLU HBy H 1 2.09 0.03 A 46 GLU HGx H 1 2.16 0.03 A 46 GLU HGy H 1 2.23 0.03 A 46 GLU C C 13 175.54 0.20 A 46 GLU CA C 13 55.74 0.20 A 46 GLU CB C 13 33.17 0.20 A 46 GLU CG C 13 36.07 0.20 A 46 GLU N N 15 116.33 0.20 A 47 GLY H H 1 8.51 0.03 A 47 GLY HAx H 1 3.76 0.03 A 47 GLY HAy H 1 4.60 0.03 A 47 GLY C C 13 173.54 0.20 A 47 GLY CA C 13 44.58 0.20 A 47 GLY N N 15 110.00 0.20 A 48 ASN H H 1 8.32 0.03 A 48 ASN HA H 1 4.97 0.03 A 48 ASN HBx H 1 2.82 0.03 A 48 ASN HBy H 1 3.01 0.03 A 48 ASN C C 13 176.02 0.20 A 48 ASN CA C 13 52.28 0.20 A 48 ASN CB C 13 39.60 0.20 A 48 ASN N N 15 114.27 0.20 A 49 GLY H H 1 8.80 0.03 A 49 GLY HAx H 1 3.46 0.03 A 49 GLY HAy H 1 4.77 0.03 A 49 GLY C C 13 174.78 0.20 A 49 GLY CA C 13 45.20 0.20 A 49 GLY N N 15 110.20 0.20 A 50 GLY H H 1 8.10 0.03 A 50 GLY HAy H 1 4.48 0.03 A 50 GLY HAx H 1 4.04 0.03 A 50 GLY CA C 13 44.07 0.20 A 50 GLY N N 15 106.06 0.20 A 51 PRO HA H 1 3.85 0.03 A 51 PRO HBx H 1 1.98 0.03 A 51 PRO HBy H 1 2.28 0.03 A 51 PRO HDy H 1 3.74 0.03 A 51 PRO HDx H 1 3.68 0.03 A 51 PRO HGx H 1 1.81 0.03 A 51 PRO HGy H 1 2.47 0.03 A 51 PRO C C 13 176.45 0.20 A 51 PRO CA C 13 64.87 0.20 A 51 PRO CB C 13 31.36 0.20 A 51 PRO CD C 13 50.05 0.20 A 51 PRO CG C 13 28.95 0.20 A 52 GLY H H 1 9.19 0.03 A 52 GLY HAx H 1 3.51 0.03 A 52 GLY HAy H 1 4.51 0.03 A 52 GLY C C 13 174.23 0.20 A 52 GLY CA C 13 44.74 0.20 A 52 GLY N N 15 114.59 0.20 A 53 THR H H 1 8.01 0.03 A 53 THR HA H 1 4.60 0.03 A 53 THR HB H 1 3.97 0.03 A 53 THR HG2% H 1 1.13 0.03 A 53 THR C C 13 173.36 0.20 A 53 THR CA C 13 64.55 0.20 A 53 THR CB C 13 69.94 0.20 A 53 THR CG2 C 13 20.23 0.20 A 53 THR N N 15 119.15 0.20 A 54 ILE H H 1 8.43 0.03 A 54 ILE HA H 1 5.17 0.03 A 54 ILE HB H 1 1.85 0.03 A 54 ILE HD1% H 1 0.84 0.03 A 54 ILE HG1x H 1 0.81 0.03 A 54 ILE HG1y H 1 1.66 0.03 A 54 ILE HG2% H 1 0.93 0.03 A 54 ILE C C 13 175.23 0.20 A 54 ILE CA C 13 59.12 0.20 A 54 ILE CB C 13 39.06 0.20 A 54 ILE CD1 C 13 11.65 0.20 A 54 ILE CG1 C 13 27.31 0.20 A 54 ILE CG2 C 13 17.80 0.20 A 54 ILE N N 15 125.99 0.20 A 55 LYS H H 1 9.55 0.03 A 55 LYS HA H 1 5.28 0.03 A 55 LYS HBx H 1 1.49 0.03 A 55 LYS HBy H 1 1.49 0.03 A 55 LYS HDy H 1 1.41 0.03 A 55 LYS HEy H 1 2.73 0.03 A 55 LYS HGx H 1 1.21 0.03 A 55 LYS HGy H 1 1.50 0.03 A 55 LYS C C 13 175.22 0.20 A 55 LYS CA C 13 54.17 0.20 A 55 LYS CB C 13 36.51 0.20 A 55 LYS CD C 13 29.64 0.20 A 55 LYS CE C 13 41.48 0.20 A 55 LYS CG C 13 24.70 0.20 A 55 LYS N N 15 126.96 0.20 A 56 LYS H H 1 9.35 0.03 A 56 LYS HA H 1 4.88 0.03 A 56 LYS HBy H 1 1.80 0.03 A 56 LYS HBx H 1 1.47 0.03 A 56 LYS HDy H 1 1.38 0.03 A 56 LYS HEy H 1 2.41 0.03 A 56 LYS HEx H 1 2.20 0.03 A 56 LYS HGx H 1 1.09 0.03 A 56 LYS HGy H 1 1.16 0.03 A 56 LYS C C 13 175.10 0.20 A 56 LYS CA C 13 55.35 0.20 A 56 LYS CB C 13 34.96 0.20 A 56 LYS CD C 13 29.83 0.20 A 56 LYS CE C 13 41.48 0.20 A 56 LYS CG C 13 25.35 0.20 A 56 LYS N N 15 123.74 0.20 A 57 ILE H H 1 9.37 0.03 A 57 ILE HA H 1 4.64 0.03 A 57 ILE HB H 1 1.50 0.03 A 57 ILE HD1% H 1 -0.09 0.03 A 57 ILE HG1x H 1 0.30 0.03 A 57 ILE HG1y H 1 0.62 0.03 A 57 ILE HG2% H 1 0.37 0.03 A 57 ILE C C 13 175.61 0.20 A 57 ILE CA C 13 59.06 0.20 A 57 ILE CB C 13 38.57 0.20 A 57 ILE CD1 C 13 11.32 0.20 A 57 ILE CG1 C 13 26.24 0.20 A 57 ILE CG2 C 13 17.89 0.20 A 57 ILE N N 15 132.83 0.20 A 58 THR H H 1 8.77 0.03 A 58 THR HA H 1 4.52 0.03 A 58 THR HB H 1 4.08 0.03 A 58 THR CA C 13 62.30 0.20 A 58 THR CB C 13 69.80 0.20 A 58 THR N N 15 124.20 0.20 A 68 MET HA H 1 5.24 0.03 A 68 MET C C 13 174.30 0.20 A 68 MET CA C 13 54.50 0.20 A 68 MET CB C 13 37.71 0.20 A 68 MET CE C 13 17.83 0.20 A 68 MET CG C 13 31.86 0.20 A 69 LYS H H 1 8.88 0.03 A 69 LYS HA H 1 5.86 0.03 A 69 LYS HBy H 1 1.68 0.03 A 69 LYS HEx H 1 2.70 0.03 A 69 LYS HEy H 1 2.70 0.03 A 69 LYS HGx H 1 1.20 0.03 A 69 LYS HGy H 1 1.43 0.03 A 69 LYS C C 13 176.08 0.20 A 69 LYS CA C 13 55.18 0.20 A 69 LYS CB C 13 36.83 0.20 A 69 LYS CD C 13 29.62 0.20 A 69 LYS CE C 13 42.07 0.20 A 69 LYS CG C 13 26.02 0.20 A 69 LYS N N 15 118.25 0.20 A 70 HIS H H 1 9.12 0.03 A 70 HIS HA H 1 6.03 0.03 A 70 HIS HBx H 1 2.90 0.03 A 70 HIS HBy H 1 2.95 0.03 A 70 HIS CA C 13 52.36 0.20 A 70 HIS CB C 13 36.39 0.20 A 70 HIS N N 15 122.72 0.20 A 71 LYS H H 1 9.71 0.03 A 71 LYS HA H 1 5.50 0.03 A 71 LYS HBx H 1 1.51 0.03 A 71 LYS HBy H 1 1.86 0.03 A 71 LYS HDy H 1 1.60 0.03 A 71 LYS HEy H 1 2.86 0.03 A 71 LYS HGx H 1 1.08 0.03 A 71 LYS HGy H 1 1.15 0.03 A 71 LYS C C 13 176.15 0.20 A 71 LYS CA C 13 54.22 0.20 A 71 LYS CB C 13 36.47 0.20 A 71 LYS CD C 13 29.73 0.20 A 71 LYS CE C 13 42.04 0.20 A 71 LYS CG C 13 25.17 0.20 A 71 LYS N N 15 123.01 0.20 A 72 VAL H H 1 9.29 0.03 A 72 VAL HA H 1 3.84 0.03 A 72 VAL HB H 1 2.19 0.03 A 72 VAL HGx% H 1 0.95 0.03 A 72 VAL HGy% H 1 1.08 0.03 A 72 VAL C C 13 176.02 0.20 A 72 VAL CA C 13 64.41 0.20 A 72 VAL CB C 13 32.22 0.20 A 72 VAL CGx C 13 20.97 0.20 A 72 VAL CGy C 13 20.97 0.20 A 72 VAL N N 15 128.61 0.20 A 73 GLU H H 1 8.90 0.03 A 73 GLU HA H 1 4.68 0.03 A 73 GLU HBx H 1 1.60 0.03 A 73 GLU HBy H 1 2.07 0.03 A 73 GLU HGx H 1 2.09 0.03 A 73 GLU HGy H 1 2.16 0.03 A 73 GLU C C 13 176.39 0.20 A 73 GLU CA C 13 57.46 0.20 A 73 GLU CB C 13 31.30 0.20 A 73 GLU CG C 13 35.98 0.20 A 73 GLU N N 15 128.56 0.20 A 74 GLU H H 1 8.02 0.03 A 74 GLU HA H 1 4.58 0.03 A 74 GLU HBx H 1 1.88 0.03 A 74 GLU HBy H 1 2.05 0.03 A 74 GLU HGy H 1 2.26 0.03 A 74 GLU HGx H 1 2.12 0.03 A 74 GLU C C 13 174.44 0.20 A 74 GLU CA C 13 56.64 0.20 A 74 GLU CB C 13 34.27 0.20 A 74 GLU CG C 13 36.35 0.20 A 74 GLU N N 15 117.45 0.20 A 75 ILE H H 1 8.84 0.03 A 75 ILE HA H 1 4.69 0.03 A 75 ILE HB H 1 1.92 0.03 A 75 ILE HD1% H 1 1.01 0.03 A 75 ILE HG1y H 1 1.55 0.03 A 75 ILE HG1x H 1 1.21 0.03 A 75 ILE HG2% H 1 0.80 0.03 A 75 ILE C C 13 173.67 0.20 A 75 ILE CA C 13 62.49 0.20 A 75 ILE CB C 13 41.08 0.20 A 75 ILE CD1 C 13 14.47 0.20 A 75 ILE CG1 C 13 27.80 0.20 A 75 ILE CG2 C 13 17.54 0.20 A 75 ILE N N 15 123.58 0.20 A 76 ASP H H 1 9.33 0.03 A 76 ASP HA H 1 5.14 0.03 A 76 ASP HBx H 1 2.64 0.03 A 76 ASP HBy H 1 3.01 0.03 A 76 ASP C C 13 176.41 0.20 A 76 ASP CA C 13 52.08 0.20 A 76 ASP CB C 13 42.00 0.20 A 76 ASP N N 15 127.35 0.20 A 77 HIS H H 1 8.68 0.03 A 77 HIS HA H 1 3.99 0.03 A 77 HIS HBx H 1 3.05 0.03 A 77 HIS HBy H 1 3.18 0.03 A 77 HIS HD2 H 1 7.22 0.03 A 77 HIS HE1 H 1 7.81 0.03 A 77 HIS C C 13 177.13 0.20 A 77 HIS CA C 13 59.62 0.20 A 77 HIS CB C 13 31.32 0.20 A 77 HIS N N 15 123.02 0.20 A 78 ALA H H 1 8.05 0.03 A 78 ALA HA H 1 3.85 0.03 A 78 ALA HB% H 1 1.30 0.03 A 78 ALA C C 13 178.05 0.20 A 78 ALA CA C 13 53.84 0.20 A 78 ALA CB C 13 18.69 0.20 A 78 ALA N N 15 119.58 0.20 A 79 ASN H H 1 7.12 0.03 A 79 ASN HA H 1 4.50 0.03 A 79 ASN HBx H 1 2.17 0.03 A 79 ASN HBy H 1 2.70 0.03 A 79 ASN C C 13 172.72 0.20 A 79 ASN CA C 13 51.81 0.20 A 79 ASN CB C 13 39.58 0.20 A 79 ASN N N 15 111.62 0.20 A 80 PHE H H 1 6.86 0.03 A 80 PHE HA H 1 3.72 0.03 A 80 PHE HBx H 1 2.60 0.03 A 80 PHE HBy H 1 2.76 0.03 A 80 PHE HD1 H 1 7.28 0.03 A 80 PHE HD2 H 1 7.28 0.03 A 80 PHE HE1 H 1 6.63 0.03 A 80 PHE HE2 H 1 6.63 0.03 A 80 PHE C C 13 173.17 0.20 A 80 PHE CA C 13 56.61 0.20 A 80 PHE CB C 13 36.10 0.20 A 80 PHE CD1 C 13 131.85 0.20 A 80 PHE CE1 C 13 131.15 0.20 A 80 PHE N N 15 116.48 0.20 A 81 LYS H H 1 7.94 0.03 A 81 LYS HA H 1 5.79 0.03 A 81 LYS HBx H 1 1.57 0.03 A 81 LYS HBy H 1 1.82 0.03 A 81 LYS HDy H 1 1.70 0.03 A 81 LYS HDx H 1 1.60 0.03 A 81 LYS HEy H 1 2.79 0.03 A 81 LYS HGy H 1 1.46 0.03 A 81 LYS HGx H 1 1.30 0.03 A 81 LYS C C 13 174.34 0.20 A 81 LYS CA C 13 54.44 0.20 A 81 LYS CB C 13 37.14 0.20 A 81 LYS CD C 13 29.55 0.20 A 81 LYS CE C 13 41.85 0.20 A 81 LYS CG C 13 25.73 0.20 A 81 LYS N N 15 118.77 0.20 A 82 TYR H H 1 9.60 0.03 A 82 TYR HA H 1 5.59 0.03 A 82 TYR HBy H 1 3.09 0.03 A 82 TYR HBx H 1 2.92 0.03 A 82 TYR HD1 H 1 7.08 0.03 A 82 TYR HD2 H 1 7.08 0.03 A 82 TYR HE1 H 1 6.51 0.03 A 82 TYR HE2 H 1 6.51 0.03 A 82 TYR C C 13 173.98 0.20 A 82 TYR CA C 13 55.47 0.20 A 82 TYR CB C 13 43.90 0.20 A 82 TYR CD1 C 13 132.95 0.20 A 82 TYR CE1 C 13 118.36 0.20 A 82 TYR N N 15 128.79 0.20 A 83 CYS H H 1 9.05 0.03 A 83 CYS HA H 1 5.72 0.03 A 83 CYS HBx H 1 2.83 0.03 A 83 CYS HBy H 1 3.30 0.03 A 83 CYS C C 13 173.48 0.20 A 83 CYS CA C 13 55.30 0.20 A 83 CYS CB C 13 30.72 0.20 A 83 CYS N N 15 124.47 0.20 A 84 TYR H H 1 8.65 0.03 A 84 TYR HA H 1 5.24 0.03 A 84 TYR HBx H 1 2.70 0.03 A 84 TYR HBy H 1 2.70 0.03 A 84 TYR HD1 H 1 6.28 0.03 A 84 TYR HD2 H 1 6.28 0.03 A 84 TYR C C 13 171.86 0.20 A 84 TYR CA C 13 56.30 0.20 A 84 TYR CB C 13 40.67 0.20 A 84 TYR CD1 C 13 133.03 0.20 A 84 TYR N N 15 122.82 0.20 A 85 SER H H 1 9.10 0.03 A 85 SER HA H 1 5.52 0.03 A 85 SER HBx H 1 3.47 0.03 A 85 SER HBy H 1 3.47 0.03 A 85 SER C C 13 173.89 0.20 A 85 SER CA C 13 56.94 0.20 A 85 SER CB C 13 66.67 0.20 A 85 SER N N 15 113.60 0.20 A 86 ILE H H 1 9.59 0.03 A 86 ILE HA H 1 4.71 0.03 A 86 ILE HB H 1 1.84 0.03 A 86 ILE HD1% H 1 1.12 0.03 A 86 ILE HG1y H 1 1.22 0.03 A 86 ILE HG2% H 1 1.01 0.03 A 86 ILE CA C 13 62.08 0.20 A 86 ILE CB C 13 38.77 0.20 A 86 ILE CD1 C 13 14.38 0.20 A 86 ILE CG1 C 13 27.31 0.20 A 86 ILE CG2 C 13 17.92 0.20 A 86 ILE N N 15 124.81 0.20 A 87 ILE H H 1 8.06 0.03 A 87 ILE HA H 1 4.84 0.03 A 87 ILE HB H 1 2.22 0.03 A 87 ILE HD1% H 1 0.92 0.03 A 87 ILE HG1x H 1 0.19 0.03 A 87 ILE HG1y H 1 1.27 0.03 A 87 ILE HG2% H 1 0.84 0.03 A 87 ILE C C 13 176.06 0.20 A 87 ILE CA C 13 60.98 0.20 A 87 ILE CB C 13 40.04 0.20 A 87 ILE CD1 C 13 14.45 0.20 A 87 ILE CG1 C 13 26.33 0.20 A 87 ILE CG2 C 13 18.90 0.20 A 87 ILE N N 15 115.51 0.20 A 88 GLU H H 1 7.58 0.03 A 88 GLU HA H 1 4.39 0.03 A 88 GLU HBx H 1 1.75 0.03 A 88 GLU HBy H 1 2.25 0.03 A 88 GLU HGx H 1 2.27 0.03 A 88 GLU HGy H 1 2.45 0.03 A 88 GLU C C 13 175.11 0.20 A 88 GLU CA C 13 57.63 0.20 A 88 GLU CB C 13 34.88 0.20 A 88 GLU CG C 13 37.28 0.20 A 88 GLU N N 15 122.16 0.20 A 89 GLY H H 1 9.08 0.03 A 89 GLY HAy H 1 4.36 0.03 A 89 GLY HAx H 1 3.95 0.03 A 89 GLY CA C 13 44.63 0.20 A 89 GLY N N 15 113.01 0.20 A 91 PRO HA H 1 4.51 0.03 A 91 PRO HBy H 1 2.30 0.03 A 91 PRO HBx H 1 1.95 0.03 A 91 PRO HDx H 1 3.72 0.03 A 91 PRO HDy H 1 3.92 0.03 A 91 PRO HGx H 1 1.82 0.03 A 91 PRO HGy H 1 2.12 0.03 A 91 PRO C C 13 176.53 0.20 A 91 PRO CA C 13 63.60 0.20 A 91 PRO CB C 13 32.32 0.20 A 91 PRO CD C 13 51.67 0.20 A 91 PRO CG C 13 27.03 0.20 A 92 LEU H H 1 7.63 0.03 A 92 LEU HA H 1 4.13 0.03 A 92 LEU HBx H 1 1.63 0.03 A 92 LEU HBy H 1 1.78 0.03 A 92 LEU HDx% H 1 0.71 0.03 A 92 LEU HDy% H 1 0.58 0.03 A 92 LEU HG H 1 1.79 0.03 A 92 LEU C C 13 177.73 0.20 A 92 LEU CA C 13 56.56 0.20 A 92 LEU CB C 13 39.58 0.20 A 92 LEU CDy C 13 25.17 0.20 A 92 LEU CDx C 13 22.84 0.20 A 92 LEU CG C 13 26.56 0.20 A 92 LEU N N 15 118.53 0.20 A 93 GLY H H 1 7.62 0.03 A 93 GLY HAx H 1 3.86 0.03 A 93 GLY HAy H 1 4.01 0.03 A 93 GLY C C 13 172.59 0.20 A 93 GLY CA C 13 46.20 0.20 A 93 GLY N N 15 104.62 0.20 A 94 HIS H H 1 7.74 0.03 A 94 HIS N N 15 120.67 0.20 A 95 THR HA H 1 4.45 0.03 A 95 THR HB H 1 4.30 0.03 A 95 THR HG2% H 1 1.04 0.03 A 95 THR C C 13 174.07 0.20 A 95 THR CA C 13 62.69 0.20 A 95 THR CB C 13 70.12 0.20 A 95 THR CG2 C 13 22.00 0.20 A 96 LEU H H 1 7.76 0.03 A 96 LEU HA H 1 5.03 0.03 A 96 LEU HBx H 1 1.34 0.03 A 96 LEU HBy H 1 2.05 0.03 A 96 LEU HDx% H 1 0.96 0.03 A 96 LEU HDy% H 1 1.11 0.03 A 96 LEU HG H 1 1.77 0.03 A 96 LEU C C 13 175.70 0.20 A 96 LEU CA C 13 54.24 0.20 A 96 LEU CB C 13 44.12 0.20 A 96 LEU CDx C 13 25.54 0.20 A 96 LEU CDy C 13 26.13 0.20 A 96 LEU CG C 13 26.84 0.20 A 96 LEU N N 15 121.00 0.20 A 97 GLU H H 1 9.20 0.03 A 97 GLU HA H 1 4.31 0.03 A 97 GLU HBy H 1 1.88 0.03 A 97 GLU HGx H 1 2.08 0.03 A 97 GLU HGy H 1 2.16 0.03 A 97 GLU C C 13 176.06 0.20 A 97 GLU CA C 13 57.10 0.20 A 97 GLU CB C 13 31.81 0.20 A 97 GLU CG C 13 36.16 0.20 A 97 GLU N N 15 121.73 0.20 A 98 LYS H H 1 7.59 0.03 A 98 LYS HA H 1 4.73 0.03 A 98 LYS HBy H 1 1.70 0.03 A 98 LYS HDy H 1 1.26 0.03 A 98 LYS HEx H 1 2.08 0.03 A 98 LYS HEy H 1 2.13 0.03 A 98 LYS HGx H 1 0.93 0.03 A 98 LYS HGy H 1 1.16 0.03 A 98 LYS C C 13 174.12 0.20 A 98 LYS CA C 13 56.49 0.20 A 98 LYS CB C 13 35.01 0.20 A 98 LYS CD C 13 29.73 0.20 A 98 LYS CE C 13 40.83 0.20 A 98 LYS CG C 13 24.23 0.20 A 98 LYS N N 15 113.88 0.20 A 99 ILE H H 1 7.61 0.03 A 99 ILE HA H 1 4.72 0.03 A 99 ILE HB H 1 1.17 0.03 A 99 ILE HD1% H 1 0.70 0.03 A 99 ILE HG1x H 1 0.51 0.03 A 99 ILE HG1y H 1 1.35 0.03 A 99 ILE HG2% H 1 -0.24 0.03 A 99 ILE C C 13 175.01 0.20 A 99 ILE CA C 13 60.88 0.20 A 99 ILE CB C 13 42.01 0.20 A 99 ILE CD1 C 13 14.82 0.20 A 99 ILE CG1 C 13 27.22 0.20 A 99 ILE CG2 C 13 16.22 0.20 A 99 ILE N N 15 121.75 0.20 A 100 SER H H 1 9.28 0.03 A 100 SER HA H 1 4.99 0.03 A 100 SER HBx H 1 3.52 0.03 A 100 SER HBy H 1 3.89 0.03 A 100 SER C C 13 171.97 0.20 A 100 SER CA C 13 57.39 0.20 A 100 SER CB C 13 65.56 0.20 A 100 SER N N 15 123.22 0.20 A 101 TYR H H 1 9.06 0.03 A 101 TYR HA H 1 5.38 0.03 A 101 TYR HBx H 1 1.93 0.03 A 101 TYR HBy H 1 2.45 0.03 A 101 TYR HD1 H 1 6.39 0.03 A 101 TYR HD2 H 1 6.39 0.03 A 101 TYR HE1 H 1 6.05 0.03 A 101 TYR HE2 H 1 6.05 0.03 A 101 TYR C C 13 176.15 0.20 A 101 TYR CA C 13 57.07 0.20 A 101 TYR CB C 13 42.67 0.20 A 101 TYR CD1 C 13 133.10 0.20 A 101 TYR CE1 C 13 117.81 0.20 A 101 TYR N N 15 121.64 0.20 A 102 GLU H H 1 8.97 0.03 A 102 GLU HA H 1 5.17 0.03 A 102 GLU HBx H 1 2.05 0.03 A 102 GLU HBy H 1 2.05 0.03 A 102 GLU HGx H 1 2.21 0.03 A 102 GLU HGy H 1 2.22 0.03 A 102 GLU C C 13 174.83 0.20 A 102 GLU CA C 13 55.33 0.20 A 102 GLU CB C 13 32.72 0.20 A 102 GLU CG C 13 36.82 0.20 A 102 GLU N N 15 122.22 0.20 A 103 ILE H H 1 9.73 0.03 A 103 ILE HA H 1 4.98 0.03 A 103 ILE HB H 1 2.30 0.03 A 103 ILE HD1% H 1 1.12 0.03 A 103 ILE HG1x H 1 1.36 0.03 A 103 ILE HG1y H 1 1.82 0.03 A 103 ILE HG2% H 1 1.00 0.03 A 103 ILE C C 13 174.18 0.20 A 103 ILE CA C 13 60.78 0.20 A 103 ILE CB C 13 40.45 0.20 A 103 ILE CD1 C 13 14.35 0.20 A 103 ILE CG1 C 13 28.52 0.20 A 103 ILE CG2 C 13 17.62 0.20 A 103 ILE N N 15 127.92 0.20 A 104 LYS H H 1 9.08 0.03 A 104 LYS HA H 1 5.62 0.03 A 104 LYS HBy H 1 2.00 0.03 A 104 LYS HBx H 1 1.79 0.03 A 104 LYS HDy H 1 1.81 0.03 A 104 LYS HDx H 1 1.62 0.03 A 104 LYS HEx H 1 2.96 0.03 A 104 LYS HEy H 1 2.99 0.03 A 104 LYS HGy H 1 1.49 0.03 A 104 LYS HGx H 1 1.42 0.03 A 104 LYS CA C 13 54.62 0.20 A 104 LYS CB C 13 36.34 0.20 A 104 LYS CD C 13 29.40 0.20 A 104 LYS CE C 13 42.32 0.20 A 104 LYS CG C 13 25.34 0.20 A 104 LYS N N 15 127.46 0.20 A 105 MET H H 1 8.64 0.03 A 105 MET HA H 1 5.52 0.03 A 105 MET HBx H 1 1.79 0.03 A 105 MET HBy H 1 2.06 0.03 A 105 MET HE% H 1 2.03 0.03 A 105 MET HGx H 1 2.47 0.03 A 105 MET HGy H 1 2.72 0.03 A 105 MET C C 13 173.85 0.20 A 105 MET CA C 13 54.15 0.20 A 105 MET CB C 13 34.73 0.20 A 105 MET CE C 13 19.03 0.20 A 105 MET CG C 13 33.37 0.20 A 105 MET N N 15 122.79 0.20 A 106 ALA H H 1 8.64 0.03 A 106 ALA HA H 1 4.71 0.03 A 106 ALA HB% H 1 1.41 0.03 A 106 ALA C C 13 176.08 0.20 A 106 ALA CA C 13 50.47 0.20 A 106 ALA CB C 13 22.84 0.20 A 106 ALA N N 15 121.88 0.20 A 107 ALA H H 1 8.87 0.03 A 107 ALA HA H 1 4.30 0.03 A 107 ALA HB% H 1 1.43 0.03 A 107 ALA C C 13 177.35 0.20 A 107 ALA CA C 13 52.46 0.20 A 107 ALA CB C 13 18.35 0.20 A 107 ALA N N 15 123.29 0.20 A 108 ALA H H 1 7.97 0.03 A 108 ALA HA H 1 4.34 0.03 A 108 ALA HB% H 1 1.17 0.03 A 108 ALA CA C 13 50.22 0.20 A 108 ALA CB C 13 18.20 0.20 A 108 ALA N N 15 126.12 0.20 A 109 PRO HA H 1 4.59 0.03 A 109 PRO HBx H 1 1.99 0.03 A 109 PRO HBy H 1 2.51 0.03 A 109 PRO HDy H 1 3.59 0.03 A 109 PRO HDx H 1 3.24 0.03 A 109 PRO HGy H 1 2.03 0.03 A 109 PRO C C 13 177.39 0.20 A 109 PRO CA C 13 64.09 0.20 A 109 PRO CB C 13 31.33 0.20 A 109 PRO CD C 13 50.05 0.20 A 109 PRO CG C 13 27.22 0.20 A 110 HIS H H 1 8.99 0.03 A 110 HIS CA C 13 57.51 0.20 A 110 HIS CB C 13 27.01 0.20 A 110 HIS N N 15 118.01 0.20 A 111 GLY HAx H 1 3.78 0.03 A 111 GLY HAy H 1 4.22 0.03 A 111 GLY C C 13 175.32 0.20 A 111 GLY CA C 13 45.80 0.20 A 112 GLY H H 1 8.39 0.03 A 112 GLY HAx H 1 3.78 0.03 A 112 GLY HAy H 1 4.00 0.03 A 112 GLY C C 13 174.05 0.20 A 112 GLY CA C 13 45.87 0.20 A 112 GLY N N 15 108.17 0.20 A 113 GLY H H 1 8.07 0.03 A 113 GLY HAx H 1 3.76 0.03 A 113 GLY HAy H 1 4.15 0.03 A 113 GLY C C 13 174.93 0.20 A 113 GLY CA C 13 44.12 0.20 A 113 GLY N N 15 107.19 0.20 A 114 SER H H 1 8.97 0.03 A 114 SER HA H 1 5.47 0.03 A 114 SER HBx H 1 3.37 0.03 A 114 SER HBy H 1 3.51 0.03 A 114 SER C C 13 173.82 0.20 A 114 SER CA C 13 58.90 0.20 A 114 SER CB C 13 68.09 0.20 A 114 SER N N 15 118.09 0.20 A 115 ILE H H 1 9.09 0.03 A 115 ILE HA H 1 4.55 0.03 A 115 ILE HB H 1 1.67 0.03 A 115 ILE HD1% H 1 0.87 0.03 A 115 ILE HG1x H 1 1.06 0.03 A 115 ILE HG1y H 1 1.44 0.03 A 115 ILE HG2% H 1 0.85 0.03 A 115 ILE C C 13 174.75 0.20 A 115 ILE CA C 13 60.65 0.20 A 115 ILE CB C 13 40.12 0.20 A 115 ILE CD1 C 13 13.24 0.20 A 115 ILE CG1 C 13 27.50 0.20 A 115 ILE CG2 C 13 17.62 0.20 A 115 ILE N N 15 122.34 0.20 A 116 LEU H H 1 9.13 0.03 A 116 LEU HA H 1 5.07 0.03 A 116 LEU HBx H 1 1.19 0.03 A 116 LEU HBy H 1 1.19 0.03 A 116 LEU HDx% H 1 0.22 0.03 A 116 LEU HDy% H 1 0.41 0.03 A 116 LEU HG H 1 1.24 0.03 A 116 LEU C C 13 174.66 0.20 A 116 LEU CA C 13 54.17 0.20 A 116 LEU CB C 13 44.12 0.20 A 116 LEU CDy C 13 25.63 0.20 A 116 LEU CDx C 13 24.51 0.20 A 116 LEU CG C 13 28.43 0.20 A 116 LEU N N 15 128.43 0.20 A 117 LYS H H 1 8.96 0.03 A 117 LYS HA H 1 5.05 0.03 A 117 LYS HBx H 1 1.75 0.03 A 117 LYS HBy H 1 1.91 0.03 A 117 LYS HDy H 1 1.64 0.03 A 117 LYS HEy H 1 2.86 0.03 A 117 LYS HGy H 1 1.40 0.03 A 117 LYS C C 13 175.51 0.20 A 117 LYS CA C 13 55.31 0.20 A 117 LYS CB C 13 34.81 0.20 A 117 LYS CD C 13 29.17 0.20 A 117 LYS CE C 13 41.66 0.20 A 117 LYS CG C 13 24.98 0.20 A 117 LYS N N 15 124.27 0.20 A 118 ILE H H 1 8.91 0.03 A 118 ILE HA H 1 5.20 0.03 A 118 ILE HB H 1 1.82 0.03 A 118 ILE HD1% H 1 0.82 0.03 A 118 ILE HG1x H 1 1.09 0.03 A 118 ILE HG1y H 1 1.53 0.03 A 118 ILE HG2% H 1 1.00 0.03 A 118 ILE C C 13 174.34 0.20 A 118 ILE CA C 13 60.57 0.20 A 118 ILE CB C 13 41.09 0.20 A 118 ILE CD1 C 13 13.95 0.20 A 118 ILE CG1 C 13 28.19 0.20 A 118 ILE CG2 C 13 17.76 0.20 A 118 ILE N N 15 125.93 0.20 A 119 THR H H 1 9.60 0.03 A 119 THR HA H 1 5.28 0.03 A 119 THR HB H 1 4.08 0.03 A 119 THR HG2% H 1 1.18 0.03 A 119 THR C C 13 174.12 0.20 A 119 THR CA C 13 62.09 0.20 A 119 THR CB C 13 69.88 0.20 A 119 THR CG2 C 13 21.30 0.20 A 119 THR N N 15 128.60 0.20 A 120 SER H H 1 9.47 0.03 A 120 SER HA H 1 5.09 0.03 A 120 SER HBy H 1 3.59 0.03 A 120 SER HBx H 1 3.50 0.03 A 120 SER C C 13 172.65 0.20 A 120 SER CA C 13 56.31 0.20 A 120 SER CB C 13 65.58 0.20 A 120 SER N N 15 123.18 0.20 A 121 LYS H H 1 9.01 0.03 A 121 LYS HA H 1 5.17 0.03 A 121 LYS HBx H 1 1.28 0.03 A 121 LYS HBy H 1 1.68 0.03 A 121 LYS HDy H 1 1.52 0.03 A 121 LYS HEy H 1 2.86 0.03 A 121 LYS HGy H 1 1.41 0.03 A 121 LYS C C 13 174.43 0.20 A 121 LYS CA C 13 54.87 0.20 A 121 LYS CB C 13 34.66 0.20 A 121 LYS CD C 13 29.92 0.20 A 121 LYS CE C 13 41.85 0.20 A 121 LYS CG C 13 25.63 0.20 A 121 LYS N N 15 122.82 0.20 A 122 TYR H H 1 9.60 0.03 A 122 TYR HA H 1 4.49 0.03 A 122 TYR HBx H 1 2.75 0.03 A 122 TYR HBy H 1 3.30 0.03 A 122 TYR HD1 H 1 7.14 0.03 A 122 TYR HD2 H 1 7.14 0.03 A 122 TYR HE1 H 1 6.71 0.03 A 122 TYR HE2 H 1 6.71 0.03 A 122 TYR C C 13 174.73 0.20 A 122 TYR CA C 13 57.96 0.20 A 122 TYR CB C 13 40.15 0.20 A 122 TYR CD1 C 13 133.12 0.20 A 122 TYR CE1 C 13 117.97 0.20 A 122 TYR N N 15 125.44 0.20 A 123 HIS H H 1 8.57 0.03 A 123 HIS HA H 1 5.36 0.03 A 123 HIS HBy H 1 3.27 0.03 A 123 HIS HBx H 1 3.21 0.03 A 123 HIS HD2 H 1 6.70 0.03 A 123 HIS HE1 H 1 7.55 0.03 A 123 HIS C C 13 176.06 0.20 A 123 HIS CA C 13 54.90 0.20 A 123 HIS CB C 13 30.74 0.20 A 123 HIS N N 15 123.62 0.20 A 124 THR H H 1 9.37 0.03 A 124 THR HA H 1 5.05 0.03 A 124 THR HB H 1 4.36 0.03 A 124 THR HG2% H 1 1.19 0.03 A 124 THR C C 13 174.96 0.20 A 124 THR CA C 13 60.31 0.20 A 124 THR CB C 13 70.90 0.20 A 124 THR CG2 C 13 22.98 0.20 A 124 THR N N 15 116.05 0.20 A 125 LYS H H 1 8.54 0.03 A 125 LYS HA H 1 4.44 0.03 A 125 LYS HBx H 1 1.58 0.03 A 125 LYS HBy H 1 1.81 0.03 A 125 LYS HDy H 1 1.66 0.03 A 125 LYS HEx H 1 2.88 0.03 A 125 LYS HEy H 1 3.02 0.03 A 125 LYS HGx H 1 1.29 0.03 A 125 LYS HGy H 1 1.39 0.03 A 125 LYS CA C 13 56.04 0.20 A 125 LYS CB C 13 33.48 0.20 A 125 LYS CD C 13 29.39 0.20 A 125 LYS CE C 13 42.12 0.20 A 125 LYS CG C 13 25.55 0.20 A 125 LYS N N 15 121.33 0.20 A 127 ASN HA H 1 4.89 0.03 A 127 ASN HBy H 1 2.97 0.03 A 127 ASN HBx H 1 2.82 0.03 A 127 ASN C C 13 175.31 0.20 A 127 ASN CA C 13 52.54 0.20 A 127 ASN CB C 13 38.20 0.20 A 128 ALA H H 1 7.78 0.03 A 128 ALA HA H 1 4.34 0.03 A 128 ALA HB% H 1 1.60 0.03 A 128 ALA C C 13 177.79 0.20 A 128 ALA CA C 13 52.99 0.20 A 128 ALA CB C 13 19.90 0.20 A 128 ALA N N 15 122.44 0.20 A 129 SER H H 1 8.48 0.03 A 129 SER HA H 1 4.53 0.03 A 129 SER HBy H 1 3.81 0.03 A 129 SER HBx H 1 3.79 0.03 A 129 SER C C 13 173.78 0.20 A 129 SER CA C 13 56.96 0.20 A 129 SER CB C 13 64.62 0.20 A 129 SER N N 15 116.37 0.20 A 130 ILE H H 1 7.18 0.03 A 130 ILE HA H 1 4.08 0.03 A 130 ILE HB H 1 1.13 0.03 A 130 ILE HD1% H 1 0.48 0.03 A 130 ILE HG1y H 1 0.79 0.03 A 130 ILE HG1x H 1 0.69 0.03 A 130 ILE HG2% H 1 0.40 0.03 A 130 ILE C C 13 174.69 0.20 A 130 ILE CA C 13 58.67 0.20 A 130 ILE CB C 13 39.47 0.20 A 130 ILE CD1 C 13 13.52 0.20 A 130 ILE CG1 C 13 26.94 0.20 A 130 ILE CG2 C 13 18.36 0.20 A 130 ILE N N 15 118.64 0.20 A 131 ASN H H 1 8.59 0.03 A 131 ASN HA H 1 4.74 0.03 A 131 ASN HBx H 1 2.76 0.03 A 131 ASN HBy H 1 2.94 0.03 A 131 ASN C C 13 175.87 0.20 A 131 ASN CA C 13 52.10 0.20 A 131 ASN CB C 13 39.01 0.20 A 131 ASN N N 15 124.08 0.20 A 132 GLU H H 1 8.98 0.03 A 132 GLU HA H 1 3.72 0.03 A 132 GLU HBx H 1 1.99 0.03 A 132 GLU HBy H 1 1.99 0.03 A 132 GLU HGy H 1 2.26 0.03 A 132 GLU HGx H 1 2.19 0.03 A 132 GLU C C 13 178.56 0.20 A 132 GLU CA C 13 59.78 0.20 A 132 GLU CB C 13 29.50 0.20 A 132 GLU CG C 13 36.63 0.20 A 132 GLU N N 15 124.98 0.20 A 133 GLU H H 1 8.49 0.03 A 133 GLU HA H 1 4.01 0.03 A 133 GLU HBy H 1 2.06 0.03 A 133 GLU HGy H 1 2.32 0.03 A 133 GLU C C 13 179.61 0.20 A 133 GLU CA C 13 59.61 0.20 A 133 GLU CB C 13 28.92 0.20 A 133 GLU CG C 13 36.44 0.20 A 133 GLU N N 15 118.92 0.20 A 134 GLU H H 1 7.64 0.03 A 134 GLU HA H 1 4.12 0.03 A 134 GLU HBy H 1 2.06 0.03 A 134 GLU HGy H 1 2.26 0.03 A 134 GLU C C 13 179.82 0.20 A 134 GLU CA C 13 58.80 0.20 A 134 GLU CB C 13 29.51 0.20 A 134 GLU CG C 13 36.63 0.20 A 134 GLU N N 15 120.32 0.20 A 135 ILE H H 1 7.33 0.03 A 135 ILE HA H 1 3.58 0.03 A 135 ILE HB H 1 1.68 0.03 A 135 ILE HD1% H 1 -0.08 0.03 A 135 ILE HG1y H 1 0.89 0.03 A 135 ILE HG1x H 1 0.70 0.03 A 135 ILE HG2% H 1 0.21 0.03 A 135 ILE C C 13 178.92 0.20 A 135 ILE CA C 13 63.36 0.20 A 135 ILE CB C 13 36.60 0.20 A 135 ILE CD1 C 13 11.12 0.20 A 135 ILE CG1 C 13 27.38 0.20 A 135 ILE CG2 C 13 16.57 0.20 A 135 ILE N N 15 121.17 0.20 A 136 LYS H H 1 7.93 0.03 A 136 LYS HA H 1 3.86 0.03 A 136 LYS HBy H 1 1.87 0.03 A 136 LYS HDy H 1 1.66 0.03 A 136 LYS HEy H 1 2.92 0.03 A 136 LYS HGy H 1 1.52 0.03 A 136 LYS HGx H 1 1.35 0.03 A 136 LYS C C 13 178.70 0.20 A 136 LYS CA C 13 60.00 0.20 A 136 LYS CB C 13 32.41 0.20 A 136 LYS CD C 13 29.55 0.20 A 136 LYS CE C 13 41.94 0.20 A 136 LYS CG C 13 25.17 0.20 A 136 LYS N N 15 121.35 0.20 A 137 ALA H H 1 7.95 0.03 A 137 ALA HA H 1 4.23 0.03 A 137 ALA HB% H 1 1.51 0.03 A 137 ALA C C 13 181.24 0.20 A 137 ALA CA C 13 55.01 0.20 A 137 ALA CB C 13 17.98 0.20 A 137 ALA N N 15 121.13 0.20 A 138 GLY H H 1 8.12 0.03 A 138 GLY HAx H 1 3.94 0.03 A 138 GLY HAy H 1 4.05 0.03 A 138 GLY C C 13 177.12 0.20 A 138 GLY CA C 13 47.24 0.20 A 138 GLY N N 15 106.82 0.20 A 139 LYS H H 1 8.18 0.03 A 139 LYS HA H 1 4.24 0.03 A 139 LYS HBy H 1 1.98 0.03 A 139 LYS HDy H 1 1.62 0.03 A 139 LYS HEy H 1 2.86 0.03 A 139 LYS HGy H 1 1.45 0.03 A 139 LYS C C 13 179.85 0.20 A 139 LYS CA C 13 59.69 0.20 A 139 LYS CB C 13 32.70 0.20 A 139 LYS CD C 13 29.94 0.20 A 139 LYS CE C 13 41.85 0.20 A 139 LYS CG C 13 25.09 0.20 A 139 LYS N N 15 124.65 0.20 A 140 GLU H H 1 8.19 0.03 A 140 GLU HA H 1 4.16 0.03 A 140 GLU HBy H 1 2.13 0.03 A 140 GLU HGy H 1 2.46 0.03 A 140 GLU C C 13 180.08 0.20 A 140 GLU CA C 13 59.24 0.20 A 140 GLU CB C 13 29.43 0.20 A 140 GLU CG C 13 36.44 0.20 A 140 GLU N N 15 120.44 0.20 A 141 LYS H H 1 8.19 0.03 A 141 LYS HA H 1 4.14 0.03 A 141 LYS HBy H 1 1.98 0.03 A 141 LYS HDy H 1 1.98 0.03 A 141 LYS HEy H 1 2.83 0.03 A 141 LYS HGy H 1 1.57 0.03 A 141 LYS HGx H 1 1.46 0.03 A 141 LYS C C 13 179.33 0.20 A 141 LYS CA C 13 59.49 0.20 A 141 LYS CB C 13 32.60 0.20 A 141 LYS CD C 13 29.27 0.20 A 141 LYS CE C 13 41.94 0.20 A 141 LYS CG C 13 25.35 0.20 A 141 LYS N N 15 121.62 0.20 A 142 ALA H H 1 7.93 0.03 A 142 ALA HB% H 1 1.52 0.03 A 142 ALA CA C 13 55.19 0.20 A 142 ALA CB C 13 17.97 0.20 A 142 ALA N N 15 122.18 0.20 A 143 ALA HA H 1 4.27 0.03 A 143 ALA HB% H 1 1.58 0.03 A 143 ALA C C 13 180.90 0.20 A 143 ALA CA C 13 55.10 0.20 A 143 ALA CB C 13 18.09 0.20 A 144 GLY H H 1 8.23 0.03 A 144 GLY HAx H 1 3.90 0.03 A 144 GLY HAy H 1 4.04 0.03 A 144 GLY C C 13 177.03 0.20 A 144 GLY CA C 13 46.88 0.20 A 144 GLY N N 15 105.00 0.20 A 145 LEU H H 1 7.86 0.03 A 145 LEU HA H 1 4.01 0.03 A 145 LEU HBx H 1 1.77 0.03 A 145 LEU HBy H 1 1.77 0.03 A 145 LEU HDx% H 1 0.64 0.03 A 145 LEU HDy% H 1 0.61 0.03 A 145 LEU HG H 1 0.84 0.03 A 145 LEU C C 13 178.23 0.20 A 145 LEU CA C 13 58.19 0.20 A 145 LEU CB C 13 41.24 0.20 A 145 LEU CDy C 13 24.72 0.20 A 145 LEU CDx C 13 23.80 0.20 A 145 LEU CG C 13 27.78 0.20 A 145 LEU N N 15 124.80 0.20 A 146 PHE H H 1 7.89 0.03 A 146 PHE HA H 1 3.76 0.03 A 146 PHE HBx H 1 2.97 0.03 A 146 PHE HBy H 1 2.97 0.03 A 146 PHE HD1 H 1 6.56 0.03 A 146 PHE HD2 H 1 6.56 0.03 A 146 PHE HE1 H 1 6.78 0.03 A 146 PHE HE2 H 1 6.78 0.03 A 146 PHE C C 13 177.50 0.20 A 146 PHE CA C 13 62.03 0.20 A 146 PHE CB C 13 38.11 0.20 A 146 PHE CD1 C 13 131.34 0.20 A 146 PHE CE1 C 13 130.42 0.20 A 146 PHE N N 15 117.96 0.20 A 147 LYS H H 1 8.09 0.03 A 147 LYS HA H 1 3.90 0.03 A 147 LYS HBx H 1 1.90 0.03 A 147 LYS HBy H 1 1.97 0.03 A 147 LYS HDx H 1 1.69 0.03 A 147 LYS HDy H 1 1.77 0.03 A 147 LYS HEy H 1 3.03 0.03 A 147 LYS HGx H 1 1.60 0.03 A 147 LYS HGy H 1 1.70 0.03 A 147 LYS C C 13 179.30 0.20 A 147 LYS CA C 13 58.84 0.20 A 147 LYS CB C 13 31.91 0.20 A 147 LYS CD C 13 28.61 0.20 A 147 LYS CE C 13 42.22 0.20 A 147 LYS CG C 13 24.98 0.20 A 147 LYS N N 15 117.60 0.20 A 148 ALA H H 1 7.85 0.03 A 148 ALA C C 13 181.03 0.20 A 148 ALA CA C 13 54.94 0.20 A 148 ALA CB C 13 17.84 0.20 A 148 ALA N N 15 122.78 0.20 A 149 VAL H H 1 8.11 0.03 A 149 VAL HA H 1 3.48 0.03 A 149 VAL HB H 1 2.04 0.03 A 149 VAL HGx% H 1 0.87 0.03 A 149 VAL HGy% H 1 0.78 0.03 A 149 VAL C C 13 177.08 0.20 A 149 VAL CA C 13 67.30 0.20 A 149 VAL CB C 13 31.22 0.20 A 149 VAL CGy C 13 23.47 0.20 A 149 VAL CGx C 13 21.53 0.20 A 149 VAL N N 15 120.68 0.20 A 150 GLU H H 1 8.58 0.03 A 150 GLU HA H 1 3.52 0.03 A 150 GLU HBx H 1 1.74 0.03 A 150 GLU HBy H 1 1.98 0.03 A 150 GLU HGy H 1 1.97 0.03 A 150 GLU C C 13 177.44 0.20 A 150 GLU CA C 13 60.56 0.20 A 150 GLU CB C 13 30.36 0.20 A 150 GLU CG C 13 37.75 0.20 A 150 GLU N N 15 120.75 0.20 A 151 ALA H H 1 8.13 0.03 A 151 ALA HA H 1 4.04 0.03 A 151 ALA HB% H 1 1.56 0.03 A 151 ALA C C 13 181.01 0.20 A 151 ALA CA C 13 55.33 0.20 A 151 ALA CB C 13 17.89 0.20 A 151 ALA N N 15 118.68 0.20 A 152 TYR H H 1 7.79 0.03 A 152 TYR HA H 1 4.32 0.03 A 152 TYR HBy H 1 3.32 0.03 A 152 TYR HBx H 1 3.17 0.03 A 152 TYR HD1 H 1 6.98 0.03 A 152 TYR HD2 H 1 6.98 0.03 A 152 TYR HE1 H 1 6.46 0.03 A 152 TYR HE2 H 1 6.46 0.03 A 152 TYR C C 13 178.60 0.20 A 152 TYR CA C 13 62.31 0.20 A 152 TYR CB C 13 38.72 0.20 A 152 TYR CD1 C 13 133.36 0.20 A 152 TYR CE1 C 13 117.77 0.20 A 152 TYR N N 15 120.24 0.20 A 153 LEU H H 1 8.55 0.03 A 153 LEU HA H 1 4.04 0.03 A 153 LEU HBx H 1 1.36 0.03 A 153 LEU HBy H 1 2.05 0.03 A 153 LEU HDx% H 1 1.00 0.03 A 153 LEU HDy% H 1 0.84 0.03 A 153 LEU HG H 1 2.10 0.03 A 153 LEU C C 13 180.34 0.20 A 153 LEU CA C 13 57.57 0.20 A 153 LEU CB C 13 41.52 0.20 A 153 LEU CDx C 13 22.66 0.20 A 153 LEU CDy C 13 27.70 0.20 A 153 LEU CG C 13 27.11 0.20 A 153 LEU N N 15 120.92 0.20 A 154 LEU H H 1 8.36 0.03 A 154 LEU HA H 1 4.15 0.03 A 154 LEU HBx H 1 1.42 0.03 A 154 LEU HBy H 1 1.83 0.03 A 154 LEU HDx% H 1 0.80 0.03 A 154 LEU HDy% H 1 0.78 0.03 A 154 LEU HG H 1 1.76 0.03 A 154 LEU C C 13 178.69 0.20 A 154 LEU CA C 13 57.06 0.20 A 154 LEU CB C 13 42.00 0.20 A 154 LEU CDy C 13 25.45 0.20 A 154 LEU CDx C 13 22.46 0.20 A 154 LEU CG C 13 26.94 0.20 A 154 LEU N N 15 119.74 0.20 A 155 ALA H H 1 7.46 0.03 A 155 ALA HA H 1 4.14 0.03 A 155 ALA HB% H 1 1.24 0.03 A 155 ALA C C 13 176.57 0.20 A 155 ALA CA C 13 52.68 0.20 A 155 ALA CB C 13 18.67 0.20 A 155 ALA N N 15 119.47 0.20 A 156 HIS H H 1 7.23 0.03 A 156 HIS HA H 1 4.86 0.03 A 156 HIS HBx H 1 2.62 0.03 A 156 HIS HBy H 1 2.95 0.03 A 156 HIS HD2 H 1 6.59 0.03 A 156 HIS HE1 H 1 7.99 0.03 A 156 HIS CA C 13 53.55 0.20 A 156 HIS CB C 13 28.03 0.20 A 156 HIS N N 15 115.78 0.20 A 157 PRO HA H 1 4.35 0.03 A 157 PRO HBx H 1 1.97 0.03 A 157 PRO HBy H 1 2.33 0.03 A 157 PRO HDx H 1 3.25 0.03 A 157 PRO HDy H 1 3.60 0.03 A 157 PRO HGx H 1 1.91 0.03 A 157 PRO HGy H 1 1.94 0.03 A 157 PRO C C 13 175.98 0.20 A 157 PRO CA C 13 64.79 0.20 A 157 PRO CB C 13 32.20 0.20 A 157 PRO CD C 13 50.52 0.20 A 157 PRO CG C 13 27.10 0.20 A 158 ASP H H 1 8.52 0.03 A 158 ASP HA H 1 4.61 0.03 A 158 ASP HBy H 1 2.65 0.03 A 158 ASP C C 13 176.71 0.20 A 158 ASP CA C 13 53.92 0.20 A 158 ASP CB C 13 40.57 0.20 A 158 ASP N N 15 113.78 0.20 A 159 ALA H H 1 7.84 0.03 A 159 ALA HA H 1 4.19 0.03 A 159 ALA HB% H 1 1.48 0.03 A 159 ALA CA C 13 52.53 0.20 A 159 ALA CB C 13 19.37 0.20 A 159 ALA N N 15 124.58 0.20 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 6 TYR H A 5 CYS HA 1.0 0.0 3.0 2 2 A 6 TYR H A 120 SER H 1.0 0.0 6.0 3 3 A 82 TYR HA A 75 ILE HA 1.0 0.0 6.0 4 4 A 42 ALA HA A 57 ILE HA 1.0 0.0 6.0 5 5 A 55 LYS HA A 44 ASN HA 1.0 0.0 6.0 6 6 A 11 THR HA A 115 ILE HA 1.0 0.0 6.0 7 7 A 52 GLY H A 72 VAL H 1.0 0.0 6.0 8 8 A 71 LYS HA A 54 ILE HA 1.0 0.0 6.0 9 9 A 54 ILE H A 46 GLU H 1.0 0.0 6.0 10 10 A 56 LYS HA A 69 LYS HA 1.0 0.0 6.0 11 11 A 69 LYS H A 88 GLU H 1.0 0.0 6.0 12 12 A 70 HIS HA A 86 ILE HA 1.0 0.0 6.0 13 13 A 70 HIS HA A 71 LYS H 1.0 0.0 3.0 14 14 A 72 VAL H A 53 THR H 1.0 0.0 6.0 15 15 A 74 GLU H A 83 CYS H 1.0 0.0 6.0 16 16 A 81 LYS HA A 104 LYS HA 1.0 0.0 6.0 17 17 A 81 LYS H A 76 ASP H 1.0 0.0 6.0 18 18 A 82 TYR HA A 75 ILE HA 1.0 0.0 6.0 19 19 A 82 TYR H A 103 ILE H 1.0 0.0 6.0 20 20 A 81 LYS HA A 82 TYR H 1.0 0.0 3.0 21 21 A 83 CYS HA A 102 GLU HA 1.0 0.0 6.0 22 22 A 74 GLU H A 83 CYS H 1.0 0.0 6.0 23 23 A 84 TYR HA A 72 VAL HA 1.0 0.0 6.0 24 24 A 101 TYR H A 84 TYR H 1.0 0.0 6.0 25 25 A 85 SER HA A 100 SER HA 1.0 0.0 6.0 26 26 A 85 SER HA A 99 ILE H 1.0 0.0 6.0 27 27 A 71 LYS H A 85 SER H 1.0 0.0 6.0 28 28 A 70 HIS HA A 71 LYS H 1.0 0.0 3.0 29 29 A 85 SER HA A 86 ILE H 1.0 0.0 3.0 30 30 A 100 SER HA A 86 ILE H 1.0 0.0 6.0 31 31 A 97 GLU H A 125 LYS H 1.0 0.0 6.0 32 32 A 87 ILE HA A 98 LYS HA 1.0 0.0 6.0 33 33 A 86 ILE H A 98 LYS HA 1.0 0.0 6.0 34 34 A 99 ILE HA A 122 TYR HA 1.0 0.0 6.0 35 35 A 99 ILE HA A 123 HIS H 1.0 0.0 6.0 36 36 A 99 ILE H A 86 ILE H 1.0 0.0 6.0 37 37 A 100 SER H A 121 LYS H 1.0 0.0 6.0 38 38 A 120 SER HA A 101 TYR HA 1.0 0.0 6.0 39 39 A 101 TYR H A 84 TYR H 1.0 0.0 6.0 40 40 A 102 GLU H A 119 THR H 1.0 0.0 6.0 41 41 A 101 TYR HA A 102 GLU H 1.0 0.0 3.0 42 42 A 118 ILE HA A 103 ILE HA 1.0 0.0 6.0 43 43 A 119 THR H A 118 ILE HA 1.0 0.0 3.0 44 44 A 104 LYS H A 117 LYS H 1.0 0.0 6.0 45 45 A 105 MET HA A 116 LEU HA 1.0 0.0 6.0 46 46 A 115 ILE H A 106 ALA H 1.0 0.0 6.0 47 47 A 115 ILE H A 108 ALA H 1.0 0.0 6.0 48 48 A 107 ALA HA A 114 SER HA 1.0 0.0 6.0 49 49 A 107 ALA HA A 107 ALA H 1.0 0.0 3.0 50 50 A 12 SER H A 114 SER H 1.0 0.0 6.0 51 51 A 10 ALA H A 116 LEU H 1.0 0.0 6.0 52 52 A 118 ILE HA A 103 ILE HA 1.0 0.0 6.0 53 53 A 4 PHE H A 122 TYR H 1.0 0.0 6.0 54 54 A 123 HIS HA A 3 VAL HA 1.0 0.0 6.0 55 55 A 58 THR H A 41 SER H 1.0 0.0 6.0 56 56 A 34 VAL HGy% A 152 TYR HD% 1.0 0.0 5.0 57 57 A 152 TYR HD% A 34 VAL HGx% 1.0 0.0 5.0 58 58 A 24 VAL HGx% A 82 TYR HE% 1.0 0.0 5.0 59 59 A 82 TYR H A 24 VAL HGx% 1.0 0.0 5.0 60 60 A 24 VAL HGx% A 82 TYR HBx 1.0 0.0 5.0 61 61 A 24 VAL HGx% A 82 TYR HBy 1.0 0.0 5.0 62 62 A 20 PHE HA A 105 MET HE% 1.0 0.0 3.0 63 63 A 24 VAL HGx% A 105 MET HE% 1.0 0.0 5.0 64 64 A 105 MET HE% A 24 VAL HGy% 1.0 0.0 5.0 65 65 A 23 PHE H A 30 LEU HDx% 1.0 0.0 6.0 66 66 A 23 PHE H A 153 LEU HDx% 1.0 0.0 6.0 67 67 A 20 PHE HD% A 24 VAL H 1.0 0.0 6.0 68 68 A 24 VAL H A 27 ALA HB% 1.0 0.0 6.0 69 69 A 105 MET HE% A 24 VAL H 1.0 0.0 5.0 70 70 A 20 PHE HD% A 25 LEU H 1.0 0.0 6.0 71 71 A 23 PHE H A 25 LEU H 1.0 0.0 6.0 72 72 A 24 VAL HGx% A 25 LEU H 1.0 0.0 3.0 73 73 A 24 VAL HGy% A 25 LEU H 1.0 0.0 5.0 74 74 A 24 VAL HGx% A 26 ASP H 1.0 0.0 6.0 75 75 A 26 ASP H A 22 SER HA 1.0 0.0 5.0 76 76 A 152 TYR HD% A 30 LEU HDx% 1.0 0.0 6.0 77 77 A 30 LEU HDx% A 152 TYR HE% 1.0 0.0 6.0 78 78 A 30 LEU HDx% A 149 VAL HGx% 1.0 0.0 6.0 79 79 A 30 LEU HDx% A 149 VAL HGy% 1.0 0.0 6.0 80 80 A 152 TYR HD% A 30 LEU HDy% 1.0 0.0 5.0 81 81 A 152 TYR HE% A 30 LEU HDy% 1.0 0.0 5.0 82 82 A 27 ALA HB% A 31 ILE HD1% 1.0 0.0 3.0 83 83 A 34 VAL HGy% A 30 LEU HDy% 1.0 0.0 5.0 84 84 A 34 VAL HGy% A 152 TYR HBx 1.0 0.0 5.0 85 85 A 14 ILE HD1% A 153 LEU HDy% 1.0 0.0 3.0 86 86 A 153 LEU HDy% A 14 ILE HG2% 1.0 0.0 3.0 87 87 A 153 LEU HDy% A 150 GLU HA 1.0 0.0 4.0 88 88 A 132 GLU HA A 135 ILE HD1% 1.0 0.0 3.0 89 89 A 132 GLU HA A 135 ILE HG1x 1.0 0.0 3.0 90 90 A 132 GLU HA A 135 ILE HG1y 1.0 0.0 3.0 91 91 A 132 GLU HA A 135 ILE H 1.0 0.0 4.0 92 92 A 23 PHE HE% A 31 ILE HG1y 1.0 0.0 6.0 93 93 A 27 ALA HA A 31 ILE H 1.0 0.0 5.0 94 94 A 27 ALA HA A 29 ASN H 1.0 0.0 5.0 95 95 A 31 ILE HD1% A 27 ALA HA 1.0 0.0 4.0 96 96 A 27 ALA HA A 31 ILE HG1x 1.0 0.0 5.0 97 97 A 30 LEU HDy% A 33 LYS H 1.0 0.0 5.0 98 98 A 30 LEU HDy% A 33 LYS HDy 1.0 0.0 6.0 99 99 A 30 LEU HDy% A 33 LYS HDx 1.0 0.0 6.0 100 100 A 34 VAL HGx% A 151 ALA HB% 1.0 0.0 5.0 101 101 A 34 VAL HGy% A 149 VAL HA 1.0 0.0 5.0 102 102 A 34 VAL HGy% A 30 LEU HDx% 1.0 0.0 5.0 103 103 A 30 LEU HDx% A 27 ALA HB% 1.0 0.0 5.0 104 104 A 17 ALA HB% A 80 PHE HE% 1.0 0.0 4.0 105 105 A 17 ALA HB% A 80 PHE HD% 1.0 0.0 5.0 106 106 A 124 THR HB A 130 ILE HD1% 1.0 0.0 6.0 107 107 A 124 THR HB A 96 LEU HDx% 1.0 0.0 3.0 108 108 A 122 TYR HA A 96 LEU HDx% 1.0 0.0 5.0 109 109 A 96 LEU HDx% A 122 TYR HBy 1.0 0.0 4.0 110 110 A 96 LEU HDx% A 122 TYR HBx 1.0 0.0 4.0 111 111 A 96 LEU HDx% A 99 ILE HD1% 1.0 0.0 4.0 112 112 A 96 LEU HDx% A 99 ILE HG2% 1.0 0.0 6.0 113 113 A 96 LEU HDx% A 124 THR H 1.0 0.0 6.0 114 114 A 96 LEU HDx% A 122 TYR HE% 1.0 0.0 5.0 115 115 A 96 LEU HDx% A 122 TYR HD1 1.0 0.0 4.0 116 115 A 96 LEU HDx% A 122 TYR HD2 1.0 0.0 4.0 117 116 A 130 ILE HD1% A 96 LEU HDx% 1.0 0.0 5.0 118 117 A 96 LEU HDx% A 130 ILE HG2% 1.0 0.0 5.0 119 118 A 96 LEU HDx% A 130 ILE HG1x 1.0 0.0 5.0 120 119 A 96 LEU HDx% A 130 ILE HG1y 1.0 0.0 5.0 121 120 A 96 LEU HDx% A 124 THR HA 1.0 0.0 5.0 122 121 A 132 GLU HA A 135 ILE HB 1.0 0.0 5.0 123 122 A 135 ILE HD1% A 6 TYR HE% 1.0 0.0 4.0 124 123 A 135 ILE HD1% A 122 TYR HE% 1.0 0.0 5.0 125 124 A 135 ILE HD1% A 130 ILE HB 1.0 0.0 5.0 126 125 A 135 ILE HD1% A 130 ILE HG2% 1.0 0.0 5.0 127 126 A 132 GLU HA A 135 ILE HD1% 1.0 0.0 3.0 128 127 A 135 ILE HD1% A 132 GLU HGx 1.0 0.0 6.0 129 128 A 135 ILE HD1% A 132 GLU HGy 1.0 0.0 6.0 130 129 A 100 SER HBx A 121 LYS HDy 1.0 0.0 5.0 131 130 A 121 LYS HDy A 100 SER HBy 1.0 0.0 6.0 132 131 A 121 LYS HDy A 3 VAL HGx% 1.0 0.0 4.0 133 132 A 3 VAL HGx% A 121 LYS HA 1.0 0.0 5.0 134 133 A 121 LYS HA A 3 VAL HGy% 1.0 0.0 5.0 135 134 A 3 VAL HGx% A 121 LYS HGx 1.0 0.0 6.0 136 135 A 3 VAL HGx% A 121 LYS HEy 1.0 0.0 6.0 137 136 A 130 ILE HD1% A 122 TYR HBy 1.0 0.0 5.0 138 137 A 130 ILE HD1% A 122 TYR HBx 1.0 0.0 5.0 139 138 A 122 TYR HBy A 130 ILE HG2% 1.0 0.0 4.0 140 139 A 122 TYR HBx A 130 ILE HG2% 1.0 0.0 6.0 141 140 A 96 LEU HDx% A 122 TYR HBy 1.0 0.0 5.0 142 141 A 96 LEU HDx% A 122 TYR HBx 1.0 0.0 4.0 143 142 A 122 TYR HA A 99 ILE HG2% 1.0 0.0 5.0 144 143 A 122 TYR HA A 99 ILE HD1% 1.0 0.0 5.0 145 144 A 122 TYR HA A 96 LEU HDx% 1.0 0.0 6.0 146 145 A 122 TYR HA A 100 SER H 1.0 0.0 5.0 147 146 A 99 ILE HG2% A 122 TYR HE% 1.0 0.0 4.0 148 147 A 135 ILE HD1% A 122 TYR HE% 1.0 0.0 5.0 149 148 A 122 TYR HE% A 135 ILE HG2% 1.0 0.0 5.0 150 149 A 122 TYR HE% A 135 ILE HG1x 1.0 0.0 6.0 151 150 A 122 TYR HE% A 130 ILE HB 1.0 0.0 6.0 152 151 A 100 SER H A 122 TYR HE% 1.0 0.0 6.0 153 152 A 122 TYR HE% A 6 TYR HE% 1.0 0.0 5.0 154 153 A 122 TYR HE% A 6 TYR HD% 1.0 0.0 4.0 155 154 A 96 LEU HDx% A 122 TYR HE% 1.0 0.0 5.0 156 155 A 122 TYR HE% A 96 LEU HDy% 1.0 0.0 4.0 157 156 A 99 ILE HD1% A 122 TYR HE% 1.0 0.0 4.0 158 157 A 122 TYR HE% A 120 SER HBx 1.0 0.0 3.0 159 158 A 122 TYR HE% A 120 SER HBy 1.0 0.0 3.0 160 159 A 6 TYR HE% A 4 PHE HD1 1.0 0.0 5.0 161 160 A 6 TYR HE% A 135 ILE HG2% 1.0 0.0 3.0 162 161 A 135 ILE HD1% A 6 TYR HE% 1.0 0.0 3.0 163 162 A 122 TYR HBx A 6 TYR HE% 1.0 0.0 6.0 164 163 A 122 TYR HBy A 6 TYR HE% 1.0 0.0 6.0 165 164 A 6 TYR HE% A 130 ILE HB 1.0 0.0 6.0 166 165 A 130 ILE HD1% A 6 TYR HE% 1.0 0.0 5.0 167 166 A 3 VAL HGy% A 123 HIS HD2 1.0 0.0 4.0 168 167 A 3 VAL HGx% A 123 HIS HD1 1.0 0.0 5.0 169 168 A 3 VAL HGy% A 123 HIS HE1 1.0 0.0 5.0 170 169 A 3 VAL HGx% A 123 HIS HE1 1.0 0.0 5.0 171 170 A 96 LEU HDx% A 124 THR HA 1.0 0.0 5.0 172 171 A 124 THR HA A 128 ALA HB% 1.0 0.0 6.0 173 172 A 124 THR HA A 128 ALA H 1.0 0.0 6.0 174 173 A 125 LYS H A 124 THR HA 1.0 0.0 3.0 175 174 A 124 THR HB A 96 LEU HDx% 1.0 0.0 4.0 176 175 A 125 LYS H A 128 ALA HB% 1.0 0.0 4.0 177 176 A 125 LYS H A 97 GLU HGy 1.0 0.0 6.0 178 177 A 125 LYS H A 97 GLU HGx 1.0 0.0 6.0 179 178 A 125 LYS H A 96 LEU HA 1.0 0.0 6.0 180 179 A 125 LYS H A 124 THR H 1.0 0.0 5.0 181 180 A 125 LYS H A 124 THR HA 1.0 0.0 3.0 182 181 A 24 VAL HGx% A 20 PHE HD% 1.0 0.0 4.0 183 182 A 24 VAL HGy% A 20 PHE HD% 1.0 0.0 4.0 184 183 A 24 VAL HGy% A 23 PHE HD% 1.0 0.0 5.0 185 184 A 27 ALA HB% A 24 VAL HA 1.0 0.0 3.0 186 185 A 24 VAL HGx% A 27 ALA HB% 1.0 0.0 6.0 187 186 A 24 VAL HGy% A 27 ALA HB% 1.0 0.0 6.0 188 187 A 21 LYS HA A 25 LEU HDx% 1.0 0.0 6.0 189 188 A 21 LYS HA A 25 LEU HDy% 1.0 0.0 5.0 190 189 A 21 LYS HA A 22 SER H 1.0 0.0 4.0 191 190 A 25 LEU H A 21 LYS HA 1.0 0.0 4.0 192 191 A 21 LYS HA A 18 ARG HA 1.0 0.0 6.0 193 192 A 30 LEU HDx% A 22 SER HA 1.0 0.0 4.0 194 193 A 22 SER HA A 26 ASP HBx 1.0 0.0 4.0 195 194 A 23 PHE H A 22 SER HA 1.0 0.0 4.0 196 195 A 24 VAL HGx% A 23 PHE HD% 1.0 0.0 6.0 197 196 A 24 VAL HGy% A 23 PHE HD% 1.0 0.0 3.0 198 197 A 105 MET HE% A 23 PHE HD% 1.0 0.0 4.0 199 198 A 30 LEU HDx% A 23 PHE HD% 1.0 0.0 5.0 200 199 A 149 VAL HGx% A 23 PHE HD% 1.0 0.0 4.0 201 200 A 149 VAL HGy% A 23 PHE HD% 1.0 0.0 4.0 202 201 A 23 PHE HD% A 103 ILE HD1% 1.0 0.0 6.0 203 202 A 24 VAL HGx% A 23 PHE HE% 1.0 0.0 6.0 204 203 A 24 VAL HGx% A 82 TYR HD% 1.0 0.0 4.0 205 204 A 24 VAL HGy% A 82 TYR HD% 1.0 0.0 4.0 206 205 A 82 TYR HD% A 75 ILE HD1% 1.0 0.0 5.0 207 206 A 75 ILE HA A 82 TYR HD% 1.0 0.0 6.0 208 207 A 82 TYR HD% A 75 ILE HG1y 1.0 0.0 5.0 209 208 A 82 TYR HD% A 75 ILE HG2% 1.0 0.0 5.0 210 209 A 76 ASP H A 82 TYR HD% 1.0 0.0 6.0 211 210 A 103 ILE H A 82 TYR HD% 1.0 0.0 6.0 212 211 A 83 CYS H A 82 TYR HD% 1.0 0.0 5.0 213 212 A 20 PHE HD% A 25 LEU HDx% 1.0 0.0 6.0 214 213 A 21 LYS HA A 25 LEU HDx% 1.0 0.0 6.0 215 214 A 24 VAL HGx% A 25 LEU HDx% 1.0 0.0 5.0 216 215 A 25 LEU HDx% A 77 HIS HE1 1.0 0.0 6.0 217 216 A 25 LEU HDx% A 77 HIS HD2 1.0 0.0 6.0 218 217 A 25 LEU HDy% A 77 HIS HE1 1.0 0.0 6.0 219 218 A 27 ALA HB% A 26 ASP HA 1.0 0.0 6.0 220 219 A 26 ASP HA A 28 ASP H 1.0 0.0 5.0 221 220 A 29 ASN H A 26 ASP HA 1.0 0.0 4.0 222 221 A 22 SER HA A 26 ASP HBy 1.0 0.0 6.0 223 222 A 22 SER HA A 26 ASP HBx 1.0 0.0 5.0 224 223 A 30 LEU HDx% A 26 ASP HBx 1.0 0.0 6.0 225 224 A 30 LEU HDy% A 27 ALA HA 1.0 0.0 6.0 226 225 A 30 LEU HDx% A 27 ALA HA 1.0 0.0 5.0 227 226 A 27 ALA HA A 28 ASP H 1.0 0.0 4.0 228 227 A 27 ALA HB% A 24 VAL HA 1.0 0.0 4.0 229 228 A 69 LYS H A 89 GLY H 1.0 0.0 6.0 230 229 A 88 GLU H A 89 GLY H 1.0 0.0 5.0 231 230 A 89 GLY H A 88 GLU HA 1.0 0.0 4.0 232 231 A 89 GLY H A 88 GLU HGy 1.0 0.0 5.0 233 232 A 89 GLY H A 88 GLU HGx 1.0 0.0 5.0 234 233 A 89 GLY H A 92 LEU HBx 1.0 0.0 6.0 235 234 A 89 GLY H A 92 LEU HDx% 1.0 0.0 5.0 236 235 A 89 GLY H A 92 LEU HDy% 1.0 0.0 6.0 237 236 A 88 GLU HA A 92 LEU HDx% 1.0 0.0 6.0 238 237 A 91 PRO HDy A 68 MET HE1 1.0 0.0 6.0 239 238 A 91 PRO HA A 92 LEU H 1.0 0.0 4.0 240 239 A 92 LEU HDx% A 87 ILE HG2% 1.0 0.0 6.0 241 240 A 92 LEU HDy% A 87 ILE HG2% 1.0 0.0 6.0 242 241 A 87 ILE HG2% A 98 LYS HGy 1.0 0.0 6.0 243 242 A 87 ILE HG2% A 71 LYS HBx 1.0 0.0 6.0 244 243 A 70 HIS HA A 87 ILE HG2% 1.0 0.0 6.0 245 244 A 89 GLY H A 87 ILE HG2% 1.0 0.0 6.0 246 245 A 71 LYS H A 87 ILE HG2% 1.0 0.0 6.0 247 246 A 88 GLU H A 87 ILE HD1% 1.0 0.0 6.0 248 247 A 87 ILE HD1% A 71 LYS HEy 1.0 0.0 6.0 249 248 A 87 ILE HD1% A 71 LYS HBx 1.0 0.0 4.0 250 249 A 89 GLY H A 92 LEU HDy% 1.0 0.0 6.0 251 250 A 125 LYS H A 95 THR HA 1.0 0.0 5.0 252 251 A 123 HIS H A 96 LEU HDx% 1.0 0.0 4.0 253 252 A 123 HIS H A 99 ILE HG2% 1.0 0.0 6.0 254 253 A 123 HIS H A 3 VAL HGx% 1.0 0.0 6.0 255 254 A 123 HIS H A 3 VAL HGy% 1.0 0.0 6.0 256 255 A 123 HIS H A 99 ILE HG1y 1.0 0.0 6.0 257 256 A 122 TYR HA A 123 HIS H 1.0 0.0 3.0 258 257 A 123 HIS H A 122 TYR H 1.0 0.0 5.0 259 258 A 122 TYR H A 96 LEU HDx% 1.0 0.0 6.0 260 259 A 97 GLU H A 96 LEU HDx% 1.0 0.0 5.0 261 260 A 42 ALA H A 41 SER HBx 1.0 0.0 4.0 262 260 A 41 SER HBy A 42 ALA H 1.0 0.0 4.0 263 261 A 41 SER HBy A 58 THR HB 1.0 0.0 6.0 264 262 A 42 ALA HA A 41 SER HBx 1.0 0.0 6.0 265 262 A 42 ALA HA A 41 SER HBy 1.0 0.0 6.0 266 263 A 42 ALA HA A 43 GLU H 1.0 0.0 4.0 267 264 A 42 ALA HA A 58 THR H 1.0 0.0 5.0 268 265 A 42 ALA HA A 57 ILE HD1% 1.0 0.0 5.0 269 266 A 42 ALA HA A 57 ILE H 1.0 0.0 6.0 270 267 A 57 ILE H A 68 MET HA 1.0 0.0 6.0 271 268 A 69 LYS H A 57 ILE H 1.0 0.0 6.0 272 269 A 57 ILE H A 70 HIS H 1.0 0.0 6.0 273 270 A 69 LYS HA A 57 ILE H 1.0 0.0 6.0 274 271 A 57 ILE H A 70 HIS HBy 1.0 0.0 6.0 275 272 A 57 ILE H A 56 LYS HEy 1.0 0.0 6.0 276 273 A 57 ILE H A 56 LYS HEx 1.0 0.0 6.0 277 274 A 57 ILE H A 56 LYS HBy 1.0 0.0 6.0 278 275 A 57 ILE H A 56 LYS HBx 1.0 0.0 6.0 279 276 A 57 ILE H A 56 LYS HGy 1.0 0.0 6.0 280 277 A 57 ILE H A 56 LYS HGx 1.0 0.0 6.0 281 278 A 28 ASP HBy A 42 ALA HB% 1.0 0.0 6.0 282 279 A 42 ALA HB% A 28 ASP HBx 1.0 0.0 6.0 283 280 A 42 ALA HB% A 28 ASP HA 1.0 0.0 6.0 284 281 A 58 THR H A 42 ALA HB% 1.0 0.0 6.0 285 282 A 57 ILE HD1% A 42 ALA HB% 1.0 0.0 4.0 286 283 A 42 ALA HB% A 57 ILE HG1y 1.0 0.0 6.0 287 284 A 42 ALA HB% A 43 GLU HA 1.0 0.0 5.0 288 285 A 44 ASN HA A 43 GLU HA 1.0 0.0 5.0 289 286 A 43 GLU HA A 44 ASN H 1.0 0.0 3.0 290 287 A 44 ASN HA A 53 THR HG2% 1.0 0.0 5.0 291 288 A 44 ASN HA A 56 LYS H 1.0 0.0 4.0 292 289 A 44 ASN HA A 55 LYS H 1.0 0.0 6.0 293 290 A 43 GLU HA A 44 ASN H 1.0 0.0 3.0 294 291 A 55 LYS HA A 44 ASN H 1.0 0.0 6.0 295 292 A 44 ASN H A 56 LYS H 1.0 0.0 6.0 296 293 A 43 GLU H A 44 ASN H 1.0 0.0 5.0 297 294 A 53 THR HG2% A 44 ASN HBy 1.0 0.0 5.0 298 295 A 53 THR HG2% A 44 ASN HBx 1.0 0.0 5.0 299 296 A 46 GLU H A 45 LEU HDx% 1.0 0.0 5.0 300 297 A 46 GLU H A 45 LEU HDy% 1.0 0.0 5.0 301 298 A 46 GLU H A 54 ILE HG2% 1.0 0.0 5.0 302 299 A 46 GLU H A 54 ILE HG1y 1.0 0.0 5.0 303 300 A 46 GLU H A 54 ILE HB 1.0 0.0 5.0 304 301 A 46 GLU H A 47 GLY HAx 1.0 0.0 6.0 305 302 A 46 GLU H A 45 LEU HA 1.0 0.0 4.0 306 303 A 54 ILE HA A 46 GLU H 1.0 0.0 6.0 307 304 A 55 LYS HA A 46 GLU H 1.0 0.0 6.0 308 305 A 46 GLU H A 56 LYS H 1.0 0.0 6.0 309 306 A 46 GLU H A 55 LYS H 1.0 0.0 6.0 310 307 A 46 GLU H A 44 ASN H 1.0 0.0 6.0 311 308 A 53 THR HG2% A 47 GLY H 1.0 0.0 5.0 312 309 A 47 GLY H A 46 GLU HGy 1.0 0.0 5.0 313 310 A 47 GLY H A 53 THR HA 1.0 0.0 6.0 314 311 A 53 THR HG2% A 47 GLY HAx 1.0 0.0 5.0 315 312 A 47 GLY HAx A 49 GLY H 1.0 0.0 6.0 316 313 A 53 THR HG2% A 48 ASN H 1.0 0.0 6.0 317 314 A 53 THR HA A 48 ASN H 1.0 0.0 6.0 318 315 A 53 THR HG2% A 48 ASN HA 1.0 0.0 6.0 319 316 A 49 GLY H A 48 ASN HA 1.0 0.0 4.0 320 317 A 53 THR HG2% A 49 GLY H 1.0 0.0 3.0 321 318 A 53 THR HA A 49 GLY H 1.0 0.0 6.0 322 319 A 49 GLY H A 53 THR HB 1.0 0.0 6.0 323 320 A 53 THR H A 49 GLY H 1.0 0.0 6.0 324 321 A 49 GLY H A 48 ASN HBy 1.0 0.0 6.0 325 322 A 49 GLY H A 48 ASN HBx 1.0 0.0 6.0 326 323 A 53 THR HG2% A 50 GLY H 1.0 0.0 6.0 327 324 A 75 ILE HD1% A 50 GLY H 1.0 0.0 6.0 328 325 A 75 ILE HG2% A 50 GLY H 1.0 0.0 6.0 329 326 A 50 GLY H A 51 PRO HDy 1.0 0.0 4.0 330 327 A 50 GLY H A 49 GLY HAx 1.0 0.0 4.0 331 328 A 53 THR HA A 50 GLY H 1.0 0.0 6.0 332 329 A 53 THR H A 50 GLY H 1.0 0.0 6.0 333 330 A 49 GLY H A 50 GLY H 1.0 0.0 4.0 334 331 A 75 ILE H A 51 PRO HBy 1.0 0.0 5.0 335 332 A 74 GLU HA A 51 PRO HBy 1.0 0.0 4.0 336 333 A 112 GLY H A 108 ALA HB% 1.0 0.0 6.0 337 334 A 108 ALA HB% A 112 GLY HAy 1.0 0.0 6.0 338 335 A 108 ALA HB% A 113 GLY H 1.0 0.0 6.0 339 336 A 113 GLY H A 13 VAL HGx% 1.0 0.0 6.0 340 337 A 113 GLY H A 13 VAL HB 1.0 0.0 6.0 341 338 A 108 ALA HB% A 113 GLY HAy 1.0 0.0 6.0 342 339 A 13 VAL HGx% A 113 GLY HAy 1.0 0.0 6.0 343 340 A 13 VAL HA A 113 GLY HAy 1.0 0.0 4.0 344 341 A 13 VAL HA A 113 GLY HAx 1.0 0.0 4.0 345 342 A 13 VAL HB A 113 GLY HAy 1.0 0.0 5.0 346 343 A 13 VAL HB A 113 GLY HAx 1.0 0.0 5.0 347 344 A 108 ALA HB% A 113 GLY HAx 1.0 0.0 6.0 348 345 A 108 ALA H A 114 SER HA 1.0 0.0 4.0 349 346 A 114 SER HA A 108 ALA HB% 1.0 0.0 4.0 350 347 A 114 SER HBy A 19 LEU HDy% 1.0 0.0 6.0 351 348 A 12 SER H A 114 SER HBy 1.0 0.0 6.0 352 349 A 71 LYS H A 87 ILE H 1.0 0.0 6.0 353 350 A 70 HIS HA A 87 ILE H 1.0 0.0 4.0 354 351 A 70 HIS HBy A 87 ILE H 1.0 0.0 6.0 355 352 A 54 ILE HA A 87 ILE HD1% 1.0 0.0 6.0 356 353 A 88 GLU H A 87 ILE H 1.0 0.0 4.0 357 354 A 88 GLU H A 70 HIS HA 1.0 0.0 6.0 358 355 A 88 GLU H A 68 MET HA 1.0 0.0 6.0 359 356 A 88 GLU H A 87 ILE HA 1.0 0.0 4.0 360 357 A 88 GLU H A 87 ILE HG2% 1.0 0.0 4.0 361 358 A 88 GLU H A 92 LEU HDy% 1.0 0.0 5.0 362 359 A 88 GLU H A 92 LEU HDx% 1.0 0.0 6.0 363 360 A 69 LYS HA A 88 GLU H 1.0 0.0 6.0 364 361 A 92 LEU H A 89 GLY HAx 1.0 0.0 6.0 365 362 A 92 LEU H A 91 PRO HDx 1.0 0.0 6.0 366 363 A 89 GLY H A 92 LEU H 1.0 0.0 6.0 367 364 A 92 LEU H A 91 PRO HBy 1.0 0.0 5.0 368 365 A 92 LEU H A 91 PRO HGy 1.0 0.0 5.0 369 366 A 87 ILE HA A 92 LEU HDx% 1.0 0.0 5.0 370 367 A 88 GLU HA A 92 LEU HDx% 1.0 0.0 4.0 371 368 A 92 LEU HDx% A 86 ILE HG2% 1.0 0.0 5.0 372 369 A 92 LEU HDy% A 86 ILE HG2% 1.0 0.0 6.0 373 370 A 92 LEU HDx% A 93 GLY H 1.0 0.0 4.0 374 371 A 92 LEU HDy% A 93 GLY H 1.0 0.0 4.0 375 372 A 96 LEU HDy% A 93 GLY H 1.0 0.0 6.0 376 373 A 93 GLY H A 92 LEU HBy 1.0 0.0 4.0 377 374 A 92 LEU HBx A 93 GLY H 1.0 0.0 4.0 378 375 A 93 GLY H A 92 LEU HA 1.0 0.0 4.0 379 376 A 93 GLY H A 94 HIS H 1.0 0.0 5.0 380 377 A 91 PRO HA A 93 GLY H 1.0 0.0 6.0 381 378 A 112 GLY H A 113 GLY H 1.0 0.0 3.0 382 379 A 112 GLY H A 111 GLY HAy 1.0 0.0 4.0 383 380 A 112 GLY HAy A 113 GLY H 1.0 0.0 3.0 384 381 A 156 HIS H A 158 ASP H 1.0 0.0 5.0 385 382 A 156 HIS H A 154 LEU H 1.0 0.0 4.0 386 383 A 156 HIS H A 155 ALA H 1.0 0.0 3.0 387 384 A 156 HIS H A 154 LEU HDy% 1.0 0.0 5.0 388 385 A 156 HIS H A 155 ALA HB% 1.0 0.0 3.0 389 386 A 156 HIS H A 157 PRO HDy 1.0 0.0 4.0 390 387 A 156 HIS H A 157 PRO HDx 1.0 0.0 4.0 391 388 A 156 HIS H A 153 LEU HA 1.0 0.0 4.0 392 389 A 156 HIS H A 153 LEU H 1.0 0.0 5.0 393 390 A 87 ILE HD1% A 54 ILE HG2% 1.0 0.0 3.0 394 391 A 54 ILE HG2% A 71 LYS HBy 1.0 0.0 5.0 395 391 A 54 ILE HG2% A 71 LYS HBx 1.0 0.0 5.0 396 392 A 70 HIS H A 54 ILE HG2% 1.0 0.0 4.0 397 393 A 55 LYS H A 54 ILE HG2% 1.0 0.0 3.0 398 394 A 71 LYS HA A 54 ILE HG2% 1.0 0.0 4.0 399 395 A 54 ILE HG2% A 46 GLU HBy 1.0 0.0 6.0 400 396 A 88 GLU H A 86 ILE HG2% 1.0 0.0 3.0 401 397 A 88 GLU HA A 92 LEU HDy% 1.0 0.0 6.0 402 398 A 88 GLU HA A 92 LEU HDx% 1.0 0.0 3.0 403 399 A 88 GLU HA A 92 LEU HBx 1.0 0.0 6.0 404 400 A 89 GLY H A 88 GLU HBy 1.0 0.0 4.0 405 401 A 88 GLU HBy A 68 MET HBy 1.0 0.0 6.0 406 402 A 89 GLY H A 68 MET HA 1.0 0.0 6.0 407 403 A 125 LYS H A 96 LEU H 1.0 0.0 6.0 408 404 A 95 THR HB A 96 LEU H 1.0 0.0 4.0 409 405 A 95 THR HA A 96 LEU H 1.0 0.0 4.0 410 406 A 93 GLY H A 96 LEU H 1.0 0.0 5.0 411 407 A 97 GLU H A 96 LEU H 1.0 0.0 4.0 412 408 A 95 THR HA A 125 LYS HBy 1.0 0.0 5.0 413 409 A 95 THR HA A 125 LYS HDx 1.0 0.0 5.0 414 409 A 95 THR HA A 125 LYS HDy 1.0 0.0 5.0 415 410 A 95 THR HA A 125 LYS HEx 1.0 0.0 6.0 416 410 A 95 THR HA A 125 LYS HEy 1.0 0.0 6.0 417 411 A 95 THR HA A 96 LEU HBx 1.0 0.0 6.0 418 411 A 95 THR HA A 96 LEU HBy 1.0 0.0 6.0 419 412 A 128 ALA HB% A 95 THR HA 1.0 0.0 5.0 420 413 A 124 THR HA A 95 THR HB 1.0 0.0 5.0 421 414 A 95 THR HB A 96 LEU HG 1.0 0.0 5.0 422 415 A 128 ALA HB% A 95 THR HB 1.0 0.0 3.0 423 416 A 95 THR HB A 125 LYS HBy 1.0 0.0 5.0 424 416 A 95 THR HB A 125 LYS HBx 1.0 0.0 5.0 425 417 A 96 LEU HDx% A 95 THR HB 1.0 0.0 5.0 426 418 A 97 GLU H A 128 ALA HB% 1.0 0.0 6.0 427 419 A 97 GLU H A 96 LEU HG 1.0 0.0 5.0 428 420 A 97 GLU H A 123 HIS HBx 1.0 0.0 5.0 429 421 A 97 GLU H A 123 HIS HBy 1.0 0.0 5.0 430 422 A 97 GLU H A 124 THR HB 1.0 0.0 5.0 431 423 A 97 GLU H A 96 LEU HA 1.0 0.0 3.0 432 424 A 97 GLU H A 98 LYS H 1.0 0.0 3.0 433 425 A 97 GLU H A 123 HIS H 1.0 0.0 5.0 434 426 A 97 GLU H A 124 THR H 1.0 0.0 6.0 435 427 A 98 LYS H A 99 ILE HG1x 1.0 0.0 6.0 436 428 A 92 LEU HDy% A 98 LYS H 1.0 0.0 6.0 437 429 A 96 LEU HDx% A 98 LYS H 1.0 0.0 5.0 438 430 A 98 LYS H A 97 GLU HBy 1.0 0.0 4.0 439 431 A 123 HIS HBx A 98 LYS H 1.0 0.0 5.0 440 432 A 123 HIS HBy A 98 LYS H 1.0 0.0 5.0 441 433 A 98 LYS H A 97 GLU HA 1.0 0.0 4.0 442 434 A 122 TYR HA A 98 LYS H 1.0 0.0 4.0 443 435 A 123 HIS HA A 98 LYS H 1.0 0.0 5.0 444 436 A 123 HIS HD2 A 98 LYS H 1.0 0.0 5.0 445 437 A 123 HIS H A 98 LYS H 1.0 0.0 4.0 446 438 A 97 GLU H A 98 LYS H 1.0 0.0 3.0 447 439 A 124 THR H A 98 LYS H 1.0 0.0 6.0 448 440 A 153 LEU HDx% A 156 HIS H 1.0 0.0 5.0 449 441 A 156 HIS H A 152 TYR HA 1.0 0.0 6.0 450 442 A 156 HIS H A 157 PRO HA 1.0 0.0 6.0 451 443 A 158 ASP H A 157 PRO HA 1.0 0.0 4.0 452 444 A 158 ASP H A 156 HIS HA 1.0 0.0 4.0 453 445 A 156 HIS HA A 157 PRO HDx 1.0 0.0 4.0 454 446 A 156 HIS HA A 157 PRO HDy 1.0 0.0 4.0 455 447 A 159 ALA H A 156 HIS HBy 1.0 0.0 6.0 456 448 A 156 HIS HBy A 159 ALA HB% 1.0 0.0 4.0 457 449 A 75 ILE HG2% A 72 VAL HGx% 1.0 0.0 5.0 458 450 A 82 TYR HD% A 75 ILE HG1x 1.0 0.0 4.0 459 451 A 82 TYR HE% A 75 ILE HG1x 1.0 0.0 5.0 460 452 A 24 VAL HGx% A 75 ILE HG1x 1.0 0.0 6.0 461 453 A 53 THR H A 72 VAL HGx% 1.0 0.0 4.0 462 454 A 53 THR H A 72 VAL HGy% 1.0 0.0 5.0 463 455 A 52 GLY H A 53 THR H 1.0 0.0 3.0 464 456 A 47 GLY H A 46 GLU HBx 1.0 0.0 4.0 465 457 A 47 GLY H A 46 GLU HBy 1.0 0.0 4.0 466 458 A 47 GLY H A 46 GLU HGx 1.0 0.0 4.0 467 459 A 47 GLY H A 46 GLU HA 1.0 0.0 3.0 468 460 A 46 GLU H A 47 GLY H 1.0 0.0 4.5 469 461 A 47 GLY H A 48 ASN H 1.0 0.0 5.0 470 462 A 53 THR HA A 47 GLY HAy 1.0 0.0 4.0 471 463 A 47 GLY HAx A 53 THR HA 1.0 0.0 4.0 472 464 A 46 GLU HA A 47 GLY HAy 1.0 0.0 5.0 473 465 A 47 GLY HAx A 46 GLU HA 1.0 0.0 5.0 474 466 A 47 GLY HAy A 46 GLU HBy 1.0 0.0 6.0 475 466 A 47 GLY HAy A 46 GLU HBx 1.0 0.0 6.0 476 467 A 47 GLY HAx A 46 GLU HBy 1.0 0.0 6.0 477 467 A 47 GLY HAx A 46 GLU HBx 1.0 0.0 6.0 478 468 A 49 GLY H A 47 GLY HAy 1.0 0.0 5.0 479 469 A 47 GLY HAx A 49 GLY H 1.0 0.0 5.0 480 470 A 53 THR HG2% A 47 GLY HAy 1.0 0.0 4.0 481 471 A 47 GLY HAy A 49 GLY HAy 1.0 0.0 6.0 482 472 A 49 GLY H A 48 ASN H 1.0 0.0 3.0 483 473 A 54 ILE H A 49 GLY H 1.0 0.0 6.0 484 474 A 53 THR HG2% A 49 GLY HAy 1.0 0.0 4.5 485 475 A 53 THR HB A 49 GLY HAx 1.0 0.0 4.5 486 476 A 53 THR HG2% A 49 GLY HAx 1.0 0.0 3.0 487 477 A 49 GLY HAy A 50 GLY HAx 1.0 0.0 5.0 488 478 A 49 GLY HAy A 50 GLY HAy 1.0 0.0 5.0 489 479 A 50 GLY HAx A 51 PRO HDx 1.0 0.0 4.0 490 480 A 50 GLY HAy A 51 PRO HDx 1.0 0.0 4.0 491 481 A 50 GLY HAx A 51 PRO HGy 1.0 0.0 6.0 492 481 A 50 GLY HAx A 51 PRO HGx 1.0 0.0 6.0 493 482 A 50 GLY HAy A 51 PRO HGy 1.0 0.0 6.0 494 482 A 50 GLY HAy A 51 PRO HGx 1.0 0.0 6.0 495 483 A 75 ILE HD1% A 50 GLY HAy 1.0 0.0 4.0 496 484 A 75 ILE HD1% A 50 GLY HAx 1.0 0.0 6.0 497 485 A 50 GLY HAx A 51 PRO HBx 1.0 0.0 6.0 498 485 A 50 GLY HAx A 51 PRO HBy 1.0 0.0 6.0 499 486 A 50 GLY HAy A 51 PRO HBx 1.0 0.0 6.0 500 486 A 50 GLY HAy A 51 PRO HBy 1.0 0.0 6.0 501 487 A 50 GLY HAx A 75 ILE HG1x 1.0 0.0 6.0 502 487 A 50 GLY HAx A 75 ILE HG1y 1.0 0.0 6.0 503 488 A 92 LEU HDx% A 87 ILE H 1.0 0.0 6.0 504 489 A 87 ILE H A 86 ILE HD1% 1.0 0.0 5.0 505 490 A 87 ILE H A 86 ILE HG2% 1.0 0.0 3.0 506 491 A 86 ILE HA A 87 ILE H 1.0 0.0 3.0 507 492 A 69 LYS H A 87 ILE H 1.0 0.0 6.0 508 493 A 86 ILE H A 87 ILE H 1.0 0.0 6.0 509 494 A 87 ILE HD1% A 71 LYS HBy 1.0 0.0 4.0 510 495 A 87 ILE HD1% A 71 LYS HDy 1.0 0.0 4.0 511 496 A 92 LEU HDx% A 88 GLU HBy 1.0 0.0 6.0 512 497 A 89 GLY H A 86 ILE HG2% 1.0 0.0 6.0 513 498 A 92 LEU H A 91 PRO HBx 1.0 0.0 5.0 514 499 A 97 GLU H A 92 LEU HDy% 1.0 0.0 6.0 515 500 A 99 ILE HG2% A 92 LEU HDy% 1.0 0.0 5.0 516 501 A 96 LEU HDx% A 92 LEU HDy% 1.0 0.0 6.0 517 502 A 92 LEU HDy% A 96 LEU HBy 1.0 0.0 5.0 518 503 A 87 ILE HA A 92 LEU HDy% 1.0 0.0 6.0 519 504 A 96 LEU HA A 92 LEU HDy% 1.0 0.0 6.0 520 505 A 122 TYR HE% A 92 LEU HDy% 1.0 0.0 6.0 521 506 A 92 LEU HDy% A 122 TYR HD1 1.0 0.0 6.0 522 506 A 92 LEU HDy% A 122 TYR HD2 1.0 0.0 6.0 523 507 A 99 ILE HG1y A 93 GLY H 1.0 0.0 6.0 524 508 A 93 GLY H A 96 LEU HBy 1.0 0.0 6.0 525 509 A 91 PRO HBy A 93 GLY H 1.0 0.0 6.0 526 510 A 2 GLY HAx A 3 VAL H 1.0 0.0 3.5 527 511 A 3 VAL H A 2 GLY HAy 1.0 0.0 3.5 528 512 A 4 PHE H A 3 VAL H 1.0 0.0 5.0 529 513 A 3 VAL HGx% A 121 LYS HBx 1.0 0.0 4.0 530 514 A 122 TYR HBx A 3 VAL HGx% 1.0 0.0 5.0 531 515 A 123 HIS HA A 3 VAL HGy% 1.0 0.0 4.0 532 516 A 123 HIS HA A 3 VAL HGx% 1.0 0.0 4.0 533 517 A 135 ILE HD1% A 4 PHE HD1 1.0 0.0 6.0 534 517 A 135 ILE HD1% A 4 PHE HD2 1.0 0.0 6.0 535 518 A 130 ILE HG2% A 4 PHE HD1 1.0 0.0 6.0 536 518 A 130 ILE HG2% A 4 PHE HD2 1.0 0.0 6.0 537 519 A 130 ILE HG2% A 4 PHE HD1 1.0 0.0 6.0 538 519 A 130 ILE HG2% A 4 PHE HD2 1.0 0.0 6.0 539 520 A 130 ILE HD1% A 4 PHE HD1 1.0 0.0 5.0 540 520 A 130 ILE HD1% A 4 PHE HD2 1.0 0.0 5.0 541 521 A 130 ILE HG1x A 4 PHE HD1 1.0 0.0 5.0 542 521 A 130 ILE HG1x A 4 PHE HD2 1.0 0.0 5.0 543 522 A 130 ILE HG1y A 4 PHE HD1 1.0 0.0 5.0 544 522 A 130 ILE HG1y A 4 PHE HD2 1.0 0.0 5.0 545 523 A 96 LEU HDx% A 4 PHE HD1 1.0 0.0 5.0 546 523 A 96 LEU HDx% A 4 PHE HD2 1.0 0.0 5.0 547 524 A 122 TYR HBx A 4 PHE HD2 1.0 0.0 5.0 548 524 A 122 TYR HBx A 4 PHE HD1 1.0 0.0 5.0 549 525 A 122 TYR HBy A 4 PHE HD1 1.0 0.0 5.0 550 525 A 122 TYR HBy A 4 PHE HD2 1.0 0.0 5.0 551 526 A 4 PHE HD1 A 130 ILE HA 1.0 0.0 6.0 552 526 A 130 ILE HA A 4 PHE HD2 1.0 0.0 6.0 553 527 A 124 THR HB A 4 PHE HD1 1.0 0.0 6.0 554 527 A 124 THR HB A 4 PHE HD2 1.0 0.0 6.0 555 528 A 6 TYR HE% A 4 PHE HD1 1.0 0.0 6.0 556 528 A 6 TYR HE% A 4 PHE HD2 1.0 0.0 6.0 557 529 A 122 TYR HE% A 4 PHE HD1 1.0 0.0 6.5 558 529 A 122 TYR HE% A 4 PHE HD2 1.0 0.0 6.5 559 530 A 123 HIS H A 4 PHE HD2 1.0 0.0 6.0 560 530 A 123 HIS H A 4 PHE HD1 1.0 0.0 6.0 561 531 A 124 THR H A 4 PHE HD1 1.0 0.0 5.0 562 531 A 124 THR H A 4 PHE HD2 1.0 0.0 5.0 563 532 A 122 TYR H A 4 PHE HD1 1.0 0.0 5.0 564 532 A 122 TYR H A 4 PHE HD2 1.0 0.0 5.0 565 533 A 130 ILE HG2% A 4 PHE HE% 1.0 0.0 5.0 566 534 A 130 ILE HD1% A 4 PHE HE% 1.0 0.0 4.5 567 535 A 130 ILE HG1x A 4 PHE HE% 1.0 0.0 5.0 568 536 A 130 ILE HG1y A 4 PHE HE% 1.0 0.0 5.0 569 537 A 128 ALA HB% A 4 PHE HE% 1.0 0.0 5.0 570 538 A 96 LEU HDx% A 4 PHE HE% 1.0 0.0 5.0 571 539 A 122 TYR HBy A 4 PHE HE% 1.0 0.0 6.0 572 540 A 4 PHE HE% A 129 SER HBx 1.0 0.0 6.0 573 541 A 124 THR HB A 4 PHE HE% 1.0 0.0 4.5 574 542 A 123 HIS HA A 4 PHE HE% 1.0 0.0 6.0 575 543 A 124 THR H A 4 PHE HE% 1.0 0.0 5.0 576 544 A 130 ILE HG2% A 6 TYR HE% 1.0 0.0 4.5 577 545 A 130 ILE HG1x A 6 TYR HE% 1.0 0.0 6.0 578 546 A 96 LEU HDx% A 6 TYR HE% 1.0 0.0 6.0 579 547 A 135 ILE HB A 6 TYR HE% 1.0 0.0 5.5 580 548 A 6 TYR HE% A 132 GLU HGx 1.0 0.0 6.0 581 549 A 6 TYR HE% A 4 PHE HBx 1.0 0.0 4.0 582 550 A 6 TYR HE% A 4 PHE HBy 1.0 0.0 4.0 583 551 A 6 TYR HE% A 4 PHE HA 1.0 0.0 6.0 584 552 A 6 TYR HE% A 121 LYS HA 1.0 0.0 6.0 585 553 A 122 TYR H A 6 TYR HE% 1.0 0.0 5.0 586 554 A 6 TYR HE% A 5 CYS H 1.0 0.0 4.5 587 555 A 6 TYR HBx A 7 GLU H 1.0 0.0 4.0 588 556 A 7 GLU H A 6 TYR HBy 1.0 0.0 4.0 589 557 A 7 GLU H A 6 TYR HA 1.0 0.0 3.0 590 558 A 6 TYR HD% A 7 GLU H 1.0 0.0 4.0 591 559 A 7 GLU H A 8 ASP H 1.0 0.0 6.0 592 560 A 6 TYR H A 7 GLU H 1.0 0.0 5.0 593 561 A 8 ASP H A 119 THR HG2% 1.0 0.0 5.5 594 562 A 120 SER H A 8 ASP H 1.0 0.0 6.0 595 563 A 8 ASP HA A 118 ILE HD1% 1.0 0.0 6.0 596 564 A 8 ASP HA A 7 GLU HA 1.0 0.0 5.0 597 565 A 8 ASP HA A 9 GLU H 1.0 0.0 3.0 598 566 A 9 GLU HA A 117 LYS HBy 1.0 0.0 5.5 599 567 A 9 GLU HA A 117 LYS HBx 1.0 0.0 5.5 600 568 A 9 GLU HA A 117 LYS HGy 1.0 0.0 4.5 601 569 A 10 ALA H A 116 LEU HDx% 1.0 0.0 6.0 602 570 A 10 ALA H A 116 LEU HDy% 1.0 0.0 6.0 603 571 A 10 ALA H A 117 LYS HGy 1.0 0.0 6.0 604 572 A 10 ALA H A 117 LYS HDy 1.0 0.0 6.0 605 573 A 10 ALA H A 117 LYS HEy 1.0 0.0 6.0 606 574 A 54 ILE HD1% A 46 GLU HBy 1.0 0.0 6.0 607 575 A 46 GLU HGx A 54 ILE HD1% 1.0 0.0 5.0 608 576 A 71 LYS HEy A 54 ILE HD1% 1.0 0.0 4.5 609 577 A 71 LYS HA A 54 ILE HD1% 1.0 0.0 4.5 610 578 A 72 VAL H A 54 ILE HD1% 1.0 0.0 6.0 611 579 A 72 VAL H A 54 ILE HG2% 1.0 0.0 6.0 612 580 A 72 VAL H A 54 ILE HA 1.0 0.0 4.0 613 581 A 72 VAL H A 71 LYS HA 1.0 0.0 3.0 614 582 A 72 VAL H A 73 GLU H 1.0 0.0 6.0 615 583 A 72 VAL H A 55 LYS H 1.0 0.0 5.0 616 584 A 72 VAL H A 71 LYS H 1.0 0.0 5.0 617 585 A 55 LYS H A 54 ILE HD1% 1.0 0.0 4.5 618 586 A 47 GLY H A 53 THR HG1 1.0 0.0 6.0 619 587 A 47 GLY H A 49 GLY H 1.0 0.0 6.0 620 588 A 48 ASN H A 47 GLY HAy 1.0 0.0 3.0 621 589 A 47 GLY HAx A 48 ASN H 1.0 0.0 2.5 622 590 A 48 ASN HA A 44 ASN HBx 1.0 0.0 6.0 623 591 A 48 ASN HA A 44 ASN HD21 1.0 0.0 6.0 624 592 A 48 ASN HA A 44 ASN HD22 1.0 0.0 6.0 625 593 A 50 GLY H A 53 THR HG1 1.0 0.0 3.0 626 594 A 50 GLY H A 72 VAL HGx% 1.0 0.0 6.0 627 595 A 72 VAL HGx% A 50 GLY HAx 1.0 0.0 6.0 628 596 A 72 VAL HGx% A 50 GLY HAy 1.0 0.0 5.0 629 597 A 50 GLY HAx A 51 PRO HGy 1.0 0.0 6.0 630 598 A 50 GLY HAx A 51 PRO HDy 1.0 0.0 3.5 631 599 A 50 GLY HAy A 51 PRO HDy 1.0 0.0 3.5 632 600 A 72 VAL HGx% A 73 GLU H 1.0 0.0 4.0 633 601 A 73 GLU H A 84 TYR HBx 1.0 0.0 5.0 634 601 A 73 GLU H A 84 TYR HBy 1.0 0.0 5.0 635 602 A 73 GLU H A 83 CYS HBx 1.0 0.0 5.0 636 603 A 73 GLU H A 83 CYS HBy 1.0 0.0 6.0 637 604 A 72 VAL HA A 73 GLU H 1.0 0.0 3.0 638 605 A 84 TYR HA A 73 GLU H 1.0 0.0 3.0 639 606 A 82 TYR HE% A 73 GLU H 1.0 0.0 6.0 640 607 A 103 ILE HD1% A 84 TYR HD% 1.0 0.0 4.0 641 608 A 86 ILE HA A 84 TYR HD% 1.0 0.0 6.0 642 609 A 82 TYR HD% A 84 TYR HD% 1.0 0.0 4.0 643 610 A 101 TYR H A 84 TYR HD% 1.0 0.0 5.0 644 611 A 103 ILE H A 84 TYR HD% 1.0 0.0 5.0 645 612 A 74 GLU H A 73 GLU H 1.0 0.0 3.0 646 613 A 84 TYR H A 73 GLU H 1.0 0.0 5.0 647 614 A 85 SER H A 73 GLU H 1.0 0.0 4.0 648 615 A 72 VAL H A 73 GLU H 1.0 0.0 5.0 649 616 A 128 ALA HB% A 95 THR HG2% 1.0 0.0 3.0 650 617 A 128 ALA HB% A 124 THR HG2% 1.0 0.0 5.0 651 618 A 26 ASP HA A 27 ALA H 1.0 0.0 4.0 652 619 A 26 ASP HA A 30 LEU H 1.0 0.0 4.5 653 620 A 107 ALA HA A 108 ALA HB% 1.0 0.0 4.5 654 621 A 107 ALA HA A 16 PRO HGy 1.0 0.0 5.0 655 622 A 107 ALA HA A 114 SER HBx 1.0 0.0 5.0 656 623 A 107 ALA HA A 114 SER HBy 1.0 0.0 5.0 657 624 A 107 ALA HA A 16 PRO HDx 1.0 0.0 5.0 658 625 A 107 ALA HA A 106 ALA HA 1.0 0.0 5.0 659 626 A 115 ILE H A 107 ALA HA 1.0 0.0 4.0 660 627 A 108 ALA H A 107 ALA HA 1.0 0.0 3.0 661 628 A 99 ILE HD1% A 92 LEU HDy% 1.0 0.0 3.0 662 629 A 99 ILE HD1% A 122 TYR HD1 1.0 0.0 3.0 663 630 A 153 LEU HDx% A 22 SER HA 1.0 0.0 6.0 664 631 A 115 ILE H A 106 ALA HB% 1.0 0.0 4.0 665 632 A 107 ALA H A 106 ALA HB% 1.0 0.0 3.0 666 633 A 107 ALA HA A 106 ALA HB% 1.0 0.0 4.5 667 634 A 106 ALA HB% A 115 ILE HG1x 1.0 0.0 6.0 668 635 A 106 ALA HB% A 104 LYS HEx 1.0 0.0 6.0 669 635 A 106 ALA HB% A 104 LYS HEy 1.0 0.0 6.0 670 636 A 12 SER HBx A 19 LEU HDx% 1.0 0.0 6.0 671 637 A 116 LEU HDx% A 19 LEU HDx% 1.0 0.0 5.0 672 638 A 116 LEU HDy% A 19 LEU HDx% 1.0 0.0 5.0 673 639 A 14 ILE HG2% A 19 LEU HDx% 1.0 0.0 3.5 674 640 A 106 ALA H A 114 SER HA 1.0 0.0 5.0 675 641 A 114 SER HA A 16 PRO HDx 1.0 0.0 6.0 676 642 A 23 PHE HE% A 116 LEU HDy% 1.0 0.0 6.0 677 643 A 23 PHE HD% A 116 LEU HDy% 1.0 0.0 6.0 678 644 A 105 MET HA A 116 LEU HDy% 1.0 0.0 5.5 679 645 A 116 LEU HDx% A 12 SER HBy 1.0 0.0 6.0 680 646 A 116 LEU HDy% A 12 SER HBy 1.0 0.0 6.0 681 647 A 14 ILE HB A 12 SER HBy 1.0 0.0 6.0 682 648 A 114 SER HBy A 116 LEU HDy% 1.0 0.0 6.0 683 649 A 116 LEU HDy% A 105 MET HGy 1.0 0.0 6.0 684 650 A 116 LEU HDy% A 105 MET HGx 1.0 0.0 5.0 685 651 A 132 GLU HA A 136 LYS H 1.0 0.0 5.0 686 652 A 132 GLU HA A 133 GLU HA 1.0 0.0 5.0 687 653 A 132 GLU HA A 135 ILE HG2% 1.0 0.0 4.5 688 654 A 96 LEU HDx% A 128 ALA HB% 1.0 0.0 6.0 689 655 A 118 ILE HA A 103 ILE HG1x 1.0 0.0 6.0 690 656 A 118 ILE HA A 103 ILE HA 1.0 0.0 3.0 691 657 A 118 ILE HA A 104 LYS H 1.0 0.0 4.0 692 658 A 14 ILE HG2% A 150 GLU HA 1.0 0.0 6.0 693 659 A 21 LYS HA A 25 LEU HBy 1.0 0.0 4.0 694 660 A 26 ASP H A 25 LEU HBx 1.0 0.0 6.0 695 661 A 76 ASP H A 75 ILE HB 1.0 0.0 6.0 696 662 A 82 TYR HD% A 75 ILE HB 1.0 0.0 5.0 697 663 A 75 ILE HB A 51 PRO HDx 1.0 0.0 6.0 698 663 A 75 ILE HB A 51 PRO HDy 1.0 0.0 6.0 699 664 A 92 LEU HDy% A 96 LEU HBx 1.0 0.0 4.0 700 665 A 114 SER H A 113 GLY HAy 1.0 0.0 3.5 701 666 A 114 SER H A 113 GLY HAx 1.0 0.0 3.5 702 667 A 135 ILE HD1% A 130 ILE HD1% 1.0 0.0 4.5 703 668 A 130 ILE HD1% A 135 ILE HG2% 1.0 0.0 6.0 704 669 A 118 ILE HD1% A 101 TYR HD% 1.0 0.0 6.0 705 670 A 118 ILE HD1% A 116 LEU HDx% 1.0 0.0 5.0 706 671 A 118 ILE HD1% A 116 LEU HDy% 1.0 0.0 6.0 707 672 A 100 SER H A 99 ILE HG2% 1.0 0.0 3.0 708 673 A 121 LYS H A 99 ILE HG2% 1.0 0.0 4.5 709 674 A 121 LYS H A 3 VAL HGx% 1.0 0.0 6.0 710 675 A 121 LYS H A 122 TYR HBx 1.0 0.0 6.0 711 676 A 121 LYS H A 100 SER HBy 1.0 0.0 5.0 712 677 A 99 ILE HA A 121 LYS H 1.0 0.0 6.0 713 678 A 121 LYS H A 101 TYR HD% 1.0 0.0 5.0 714 679 A 6 TYR H A 121 LYS H 1.0 0.0 5.5 715 680 A 121 LYS H A 122 TYR H 1.0 0.0 5.0 716 681 A 86 ILE H A 99 ILE HG2% 1.0 0.0 6.0 717 682 A 44 ASN HA A 45 LEU HDy% 1.0 0.0 6.0 718 683 A 44 ASN HA A 46 GLU H 1.0 0.0 5.0 719 684 A 44 ASN HA A 45 LEU HA 1.0 0.0 5.0 720 685 A 130 ILE HG2% A 131 ASN H 1.0 0.0 4.0 721 686 A 135 ILE H A 130 ILE HG2% 1.0 0.0 5.0 722 687 A 83 CYS H A 82 TYR HE% 1.0 0.0 5.0 723 688 A 74 GLU H A 82 TYR HE% 1.0 0.0 6.0 724 689 A 82 TYR HE% A 75 ILE HG1y 1.0 0.0 5.0 725 690 A 82 TYR HE% A 24 VAL HGy% 1.0 0.0 5.0 726 691 A 82 TYR HE% A 75 ILE HG2% 1.0 0.0 4.0 727 692 A 82 TYR HE% A 75 ILE HB 1.0 0.0 4.5 728 693 A 84 TYR HA A 82 TYR HE% 1.0 0.0 5.0 729 694 A 86 ILE H A 84 TYR HD% 1.0 0.0 6.0 730 695 A 99 ILE HG2% A 101 TYR HD% 1.0 0.0 4.0 731 696 A 101 TYR HD% A 142 ALA HB% 1.0 0.0 6.0 732 697 A 120 SER HBx A 101 TYR HD% 1.0 0.0 4.0 733 698 A 120 SER HBy A 101 TYR HD% 1.0 0.0 4.0 734 699 A 100 SER HA A 101 TYR HD% 1.0 0.0 4.5 735 700 A 120 SER HA A 101 TYR HD% 1.0 0.0 4.0 736 701 A 85 SER HA A 101 TYR HD% 1.0 0.0 5.0 737 702 A 84 TYR H A 101 TYR HD% 1.0 0.0 6.0 738 703 A 102 GLU H A 101 TYR HD% 1.0 0.0 4.5 739 704 A 100 SER H A 101 TYR HD% 1.0 0.0 6.0 740 705 A 86 ILE H A 101 TYR HD% 1.0 0.0 5.0 741 706 A 119 THR H A 101 TYR HD% 1.0 0.0 6.0 742 707 A 119 THR H A 118 ILE HG2% 1.0 0.0 3.0 743 708 A 120 SER H A 119 THR H 1.0 0.0 5.0 744 709 A 119 THR H A 101 TYR HD% 1.0 0.0 5.5 745 710 A 99 ILE HG2% A 122 TYR HD1 1.0 0.0 3.0 746 710 A 99 ILE HG2% A 122 TYR HD2 1.0 0.0 3.0 747 711 A 152 TYR HD% A 153 LEU HDx% 1.0 0.0 4.0 748 712 A 152 TYR HD% A 154 LEU H 1.0 0.0 5.5 749 713 A 152 TYR HD% A 153 LEU H 1.0 0.0 3.5 750 714 A 114 SER H A 13 VAL HA 1.0 0.0 4.0 751 715 A 114 SER H A 113 GLY H 1.0 0.0 4.0 752 716 A 115 ILE H A 114 SER H 1.0 0.0 6.0 753 717 A 10 ALA H A 115 ILE HG2% 1.0 0.0 4.0 754 718 A 115 ILE HA A 10 ALA H 1.0 0.0 5.0 755 719 A 10 ALA H A 11 THR H 1.0 0.0 6.0 756 720 A 106 ALA H A 115 ILE HG2% 1.0 0.0 5.0 757 721 A 117 LYS HEy A 115 ILE HG2% 1.0 0.0 5.0 758 722 A 116 LEU HDy% A 115 ILE HG2% 1.0 0.0 5.0 759 723 A 128 ALA H A 129 SER H 1.0 0.0 5.0 760 724 A 128 ALA H A 127 ASN HA 1.0 0.0 4.0 761 725 A 128 ALA H A 127 ASN HBx 1.0 0.0 6.0 762 726 A 128 ALA H A 127 ASN HBy 1.0 0.0 6.0 763 727 A 125 LYS H A 95 THR HG2% 1.0 0.0 5.0 764 728 A 125 LYS H A 96 LEU HDx% 1.0 0.0 5.0 765 729 A 125 LYS H A 124 THR HG2% 1.0 0.0 4.5 766 730 A 125 LYS H A 97 GLU HBy 1.0 0.0 6.0 767 731 A 125 LYS H A 128 ALA H 1.0 0.0 5.0 768 732 A 105 MET HE% A 20 PHE H 1.0 0.0 5.0 769 733 A 17 ALA HB% A 20 PHE H 1.0 0.0 5.5 770 734 A 20 PHE H A 19 LEU HDx% 1.0 0.0 5.0 771 734 A 20 PHE H A 19 LEU HDy% 1.0 0.0 5.0 772 735 A 20 PHE H A 21 LYS HBy 1.0 0.0 6.0 773 735 A 20 PHE H A 21 LYS HBx 1.0 0.0 6.0 774 736 A 20 PHE H A 19 LEU HBx 1.0 0.0 4.0 775 736 A 20 PHE H A 19 LEU HBy 1.0 0.0 4.0 776 737 A 20 PHE H A 17 ALA HA 1.0 0.0 4.0 777 738 A 20 PHE H A 19 LEU HA 1.0 0.0 4.0 778 739 A 20 PHE H A 16 PRO HA 1.0 0.0 4.5 779 740 A 151 ALA HA A 152 TYR H 1.0 0.0 4.0 780 741 A 151 ALA HB% A 152 TYR H 1.0 0.0 3.0 781 742 A 150 GLU HA A 152 TYR H 1.0 0.0 6.0 782 743 A 149 VAL HA A 152 TYR H 1.0 0.0 3.5 783 744 A 135 ILE HD1% A 134 GLU H 1.0 0.0 6.0 784 745 A 135 ILE HG2% A 134 GLU H 1.0 0.0 6.0 785 746 A 134 GLU H A 137 ALA HB% 1.0 0.0 5.5 786 747 A 134 GLU H A 135 ILE HG1x 1.0 0.0 5.0 787 747 A 134 GLU H A 135 ILE HG1y 1.0 0.0 5.0 788 748 A 134 GLU H A 136 LYS HBx 1.0 0.0 6.0 789 748 A 134 GLU H A 136 LYS HBy 1.0 0.0 6.0 790 749 A 134 GLU H A 131 ASN HBx 1.0 0.0 6.0 791 749 A 134 GLU H A 131 ASN HBy 1.0 0.0 6.0 792 750 A 134 GLU H A 131 ASN HA 1.0 0.0 6.0 793 751 A 134 GLU H A 135 ILE HA 1.0 0.0 5.5 794 752 A 46 GLU H A 54 ILE HD1% 1.0 0.0 5.0 795 753 A 46 GLU H A 53 THR HG2% 1.0 0.0 4.0 796 754 A 46 GLU H A 45 LEU HG 1.0 0.0 4.5 797 755 A 46 GLU H A 44 ASN HBx 1.0 0.0 5.0 798 755 A 46 GLU H A 44 ASN HBy 1.0 0.0 5.0 799 756 A 46 GLU H A 45 LEU HBx 1.0 0.0 4.0 800 756 A 46 GLU H A 45 LEU HBy 1.0 0.0 4.0 801 757 A 46 GLU H A 53 THR HA 1.0 0.0 5.0 802 758 A 22 SER H A 19 LEU HBx 1.0 0.0 6.0 803 758 A 22 SER H A 19 LEU HBy 1.0 0.0 6.0 804 759 A 22 SER H A 21 LYS HBy 1.0 0.0 4.0 805 759 A 22 SER H A 21 LYS HBx 1.0 0.0 4.0 806 760 A 22 SER H A 21 LYS HDx 1.0 0.0 6.0 807 760 A 22 SER H A 21 LYS HDy 1.0 0.0 6.0 808 761 A 22 SER H A 21 LYS HGy 1.0 0.0 5.0 809 761 A 22 SER H A 21 LYS HGx 1.0 0.0 5.0 810 762 A 153 LEU HDx% A 22 SER H 1.0 0.0 5.5 811 763 A 49 GLY H A 53 THR HB 1.0 0.0 4.0 812 764 A 53 THR HA A 49 GLY H 1.0 0.0 5.0 813 765 A 11 THR H A 12 SER HBx 1.0 0.0 6.0 814 765 A 11 THR H A 12 SER HBy 1.0 0.0 6.0 815 766 A 9 GLU HA A 11 THR H 1.0 0.0 6.0 816 767 A 11 THR H A 9 GLU HBy 1.0 0.0 6.0 817 768 A 115 ILE HG2% A 11 THR H 1.0 0.0 5.5 818 769 A 34 VAL HGy% A 33 LYS H 1.0 0.0 4.5 819 770 A 33 LYS H A 32 PRO HGx 1.0 0.0 4.0 820 770 A 33 LYS H A 32 PRO HGy 1.0 0.0 4.0 821 771 A 33 LYS H A 32 PRO HBy 1.0 0.0 4.5 822 771 A 33 LYS H A 32 PRO HBx 1.0 0.0 4.5 823 772 A 33 LYS H A 32 PRO HDx 1.0 0.0 4.0 824 772 A 33 LYS H A 32 PRO HDy 1.0 0.0 4.0 825 773 A 33 LYS H A 34 VAL HA 1.0 0.0 6.0 826 774 A 33 LYS H A 32 PRO HA 1.0 0.0 4.0 827 775 A 12 SER H A 115 ILE HD1% 1.0 0.0 6.0 828 776 A 12 SER H A 11 THR HG2% 1.0 0.0 4.0 829 777 A 12 SER H A 116 LEU HDy% 1.0 0.0 5.0 830 778 A 12 SER H A 115 ILE HG1x 1.0 0.0 5.0 831 779 A 12 SER H A 115 ILE HG1y 1.0 0.0 6.0 832 780 A 12 SER H A 113 GLY HAy 1.0 0.0 6.0 833 780 A 12 SER H A 113 GLY HAx 1.0 0.0 6.0 834 781 A 89 GLY H A 92 LEU HDx% 1.0 0.0 3.5 835 782 A 89 GLY H A 92 LEU HG 1.0 0.0 5.0 836 783 A 89 GLY H A 92 LEU HBx 1.0 0.0 4.0 837 784 A 158 ASP H A 159 ALA HB% 1.0 0.0 4.5 838 785 A 158 ASP H A 157 PRO HGx 1.0 0.0 4.0 839 785 A 158 ASP H A 157 PRO HGy 1.0 0.0 4.0 840 786 A 158 ASP H A 157 PRO HBx 1.0 0.0 4.5 841 786 A 158 ASP H A 157 PRO HBy 1.0 0.0 4.5 842 787 A 158 ASP H A 157 PRO HDy 1.0 0.0 4.5 843 787 A 158 ASP H A 157 PRO HDx 1.0 0.0 4.5 844 788 A 96 LEU HA A 98 LYS H 1.0 0.0 4.0 845 789 A 98 LYS H A 97 GLU HGy 1.0 0.0 6.0 846 789 A 98 LYS H A 97 GLU HGx 1.0 0.0 6.0 847 790 A 98 LYS H A 96 LEU HBx 1.0 0.0 5.5 848 790 A 96 LEU HBy A 98 LYS H 1.0 0.0 5.5 849 791 A 52 GLY H A 72 VAL HGx% 1.0 0.0 4.0 850 792 A 52 GLY H A 72 VAL HGy% 1.0 0.0 5.0 851 793 A 52 GLY H A 75 ILE HD1% 1.0 0.0 6.0 852 794 A 52 GLY H A 51 PRO HGy 1.0 0.0 6.0 853 795 A 52 GLY H A 51 PRO HGx 1.0 0.0 6.0 854 796 A 52 GLY H A 51 PRO HBy 1.0 0.0 4.5 855 797 A 52 GLY H A 51 PRO HBx 1.0 0.0 4.5 856 798 A 52 GLY H A 71 LYS HEy 1.0 0.0 6.0 857 799 A 52 GLY H A 73 GLU HA 1.0 0.0 4.5 858 800 A 52 GLY H A 51 PRO HA 1.0 0.0 3.0 859 801 A 52 GLY H A 53 THR HB 1.0 0.0 5.0 860 802 A 25 LEU H A 24 VAL HB 1.0 0.0 3.5 861 803 A 25 LEU H A 24 VAL HA 1.0 0.0 4.0 862 804 A 124 THR H A 3 VAL HGx% 1.0 0.0 5.0 863 805 A 124 THR H A 3 VAL HGy% 1.0 0.0 5.0 864 806 A 124 THR H A 123 HIS HBx 1.0 0.0 4.5 865 807 A 124 THR H A 123 HIS HBy 1.0 0.0 4.5 866 808 A 124 THR H A 3 VAL HB 1.0 0.0 6.0 867 809 A 123 HIS HA A 124 THR H 1.0 0.0 2.5 868 810 A 3 VAL HA A 124 THR H 1.0 0.0 4.0 869 811 A 16 PRO HA A 18 ARG H 1.0 0.0 5.0 870 812 A 19 LEU HA A 18 ARG H 1.0 0.0 6.0 871 813 A 16 PRO HDx A 18 ARG H 1.0 0.0 6.0 872 814 A 18 ARG H A 16 PRO HDy 1.0 0.0 6.0 873 815 A 18 ARG H A 19 LEU HBx 1.0 0.0 6.0 874 815 A 19 LEU HBy A 18 ARG H 1.0 0.0 6.0 875 816 A 18 ARG H A 21 LYS HBy 1.0 0.0 6.0 876 816 A 21 LYS HBx A 18 ARG H 1.0 0.0 6.0 877 817 A 18 ARG H A 19 LEU HDx% 1.0 0.0 6.0 878 817 A 19 LEU HDy% A 18 ARG H 1.0 0.0 6.0 879 818 A 17 ALA HB% A 18 ARG H 1.0 0.0 3.0 880 819 A 14 ILE HG2% A 18 ARG H 1.0 0.0 6.0 881 820 A 21 LYS H A 22 SER HBx 1.0 0.0 6.0 882 821 A 20 PHE HA A 21 LYS H 1.0 0.0 4.0 883 822 A 21 LYS H A 20 PHE HBx 1.0 0.0 4.0 884 823 A 21 LYS H A 20 PHE HBy 1.0 0.0 4.0 885 824 A 24 VAL HGy% A 21 LYS H 1.0 0.0 6.0 886 825 A 80 PHE H A 78 ALA HB% 1.0 0.0 4.5 887 826 A 80 PHE H A 79 ASN HBy 1.0 0.0 4.0 888 827 A 80 PHE H A 79 ASN HBx 1.0 0.0 5.0 889 828 A 80 PHE H A 76 ASP HBx 1.0 0.0 5.0 890 828 A 80 PHE H A 76 ASP HBy 1.0 0.0 5.0 891 829 A 80 PHE H A 79 ASN HA 1.0 0.0 5.0 892 830 A 80 PHE H A 77 HIS HA 1.0 0.0 4.0 893 831 A 27 ALA HB% A 26 ASP H 1.0 0.0 5.0 894 832 A 26 ASP H A 25 LEU HDx% 1.0 0.0 5.0 895 833 A 26 ASP H A 24 VAL HB 1.0 0.0 6.0 896 834 A 26 ASP H A 21 LYS HBy 1.0 0.0 6.0 897 834 A 26 ASP H A 21 LYS HBx 1.0 0.0 6.0 898 835 A 26 ASP H A 25 LEU HA 1.0 0.0 4.0 899 836 A 26 ASP H A 22 SER HBx 1.0 0.0 6.0 900 836 A 26 ASP H A 22 SER HBy 1.0 0.0 6.0 901 837 A 124 THR HG2% A 130 ILE H 1.0 0.0 5.0 902 838 A 130 ILE H A 129 SER HA 1.0 0.0 2.5 903 839 A 130 ILE H A 129 SER HBy 1.0 0.0 4.0 904 839 A 130 ILE H A 129 SER HBx 1.0 0.0 4.0 905 840 A 81 LYS H A 75 ILE HG2% 1.0 0.0 6.0 906 841 A 81 LYS H A 79 ASN HBy 1.0 0.0 4.5 907 841 A 81 LYS H A 79 ASN HBx 1.0 0.0 4.5 908 842 A 81 LYS H A 79 ASN HA 1.0 0.0 5.0 909 843 A 81 LYS H A 77 HIS HA 1.0 0.0 5.0 910 844 A 149 VAL HGy% A 151 ALA H 1.0 0.0 4.5 911 845 A 149 VAL HGx% A 151 ALA H 1.0 0.0 5.0 912 846 A 151 ALA H A 150 GLU HBx 1.0 0.0 4.0 913 846 A 151 ALA H A 150 GLU HBy 1.0 0.0 4.0 914 847 A 151 ALA H A 150 GLU HGx 1.0 0.0 5.0 915 847 A 151 ALA H A 150 GLU HGy 1.0 0.0 5.0 916 848 A 151 ALA H A 152 TYR HBx 1.0 0.0 5.0 917 849 A 151 ALA H A 152 TYR HBy 1.0 0.0 6.0 918 850 A 151 ALA H A 147 LYS HA 1.0 0.0 4.5 919 851 A 150 GLU HA A 151 ALA H 1.0 0.0 4.0 920 852 A 149 VAL HA A 151 ALA H 1.0 0.0 5.0 921 853 A 155 ALA H A 154 LEU HDy% 1.0 0.0 5.0 922 854 A 155 ALA H A 154 LEU HDx% 1.0 0.0 5.0 923 855 A 155 ALA H A 154 LEU HG 1.0 0.0 5.0 924 856 A 155 ALA H A 152 TYR HBx 1.0 0.0 6.0 925 856 A 155 ALA H A 152 TYR HBy 1.0 0.0 6.0 926 857 A 155 ALA H A 154 LEU HBy 1.0 0.0 4.0 927 858 A 155 ALA H A 154 LEU HBx 1.0 0.0 4.0 928 859 A 155 ALA H A 157 PRO HDy 1.0 0.0 6.0 929 860 A 155 ALA H A 157 PRO HDx 1.0 0.0 5.5 930 861 A 155 ALA H A 154 LEU HA 1.0 0.0 4.0 931 862 A 155 ALA H A 152 TYR HA 1.0 0.0 4.0 932 863 A 154 LEU H A 150 GLU HBx 1.0 0.0 6.0 933 863 A 154 LEU H A 150 GLU HBy 1.0 0.0 6.0 934 864 A 154 LEU H A 150 GLU HGx 1.0 0.0 6.0 935 864 A 154 LEU H A 150 GLU HGy 1.0 0.0 6.0 936 865 A 154 LEU H A 152 TYR HBx 1.0 0.0 6.0 937 865 A 154 LEU H A 152 TYR HBy 1.0 0.0 6.0 938 866 A 154 LEU H A 151 ALA HA 1.0 0.0 3.5 939 867 A 150 GLU HA A 154 LEU H 1.0 0.0 4.5 940 868 A 154 LEU H A 152 TYR HA 1.0 0.0 4.5 941 869 A 23 PHE H A 27 ALA HB% 1.0 0.0 6.0 942 870 A 24 VAL HGy% A 23 PHE H 1.0 0.0 5.0 943 871 A 23 PHE H A 153 LEU HDy% 1.0 0.0 6.0 944 872 A 23 PHE H A 19 LEU HA 1.0 0.0 4.0 945 873 A 20 PHE HA A 23 PHE H 1.0 0.0 4.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 4 PHE H A 122 TYR O 1.0 0.0 2.3 2 2 A 122 TYR O A 4 PHE N 1.0 0.0 3.3 3 3 A 6 TYR H A 120 SER O 1.0 0.0 2.3 4 4 A 120 SER O A 6 TYR N 1.0 0.0 3.3 5 5 A 8 ASP H A 118 ILE O 1.0 0.0 2.3 6 6 A 118 ILE O A 8 ASP N 1.0 0.0 3.3 7 7 A 10 ALA H A 116 LEU O 1.0 0.0 2.3 8 8 A 116 LEU O A 10 ALA N 1.0 0.0 3.3 9 9 A 12 SER H A 114 SER O 1.0 0.0 2.3 10 10 A 114 SER O A 12 SER N 1.0 0.0 3.3 11 11 A 19 LEU H A 15 PRO O 1.0 0.0 2.3 12 12 A 15 PRO O A 19 LEU N 1.0 0.0 3.3 13 13 A 20 PHE H A 16 PRO O 1.0 0.0 2.3 14 14 A 16 PRO O A 20 PHE N 1.0 0.0 3.3 15 15 A 21 LYS H A 17 ALA O 1.0 0.0 2.3 16 16 A 17 ALA O A 21 LYS N 1.0 0.0 3.3 17 17 A 22 SER H A 18 ARG O 1.0 0.0 2.3 18 18 A 18 ARG O A 22 SER N 1.0 0.0 3.3 19 19 A 23 PHE H A 19 LEU O 1.0 0.0 2.3 20 20 A 19 LEU O A 23 PHE N 1.0 0.0 3.3 21 21 A 24 VAL H A 20 PHE O 1.0 0.0 2.3 22 22 A 20 PHE O A 24 VAL N 1.0 0.0 3.3 23 23 A 25 LEU H A 20 PHE O 1.0 0.0 2.3 24 24 A 20 PHE O A 25 LEU N 1.0 0.0 3.3 25 25 A 26 ASP H A 21 LYS O 1.0 0.0 2.3 26 26 A 21 LYS O A 26 ASP N 1.0 0.0 3.3 27 27 A 30 LEU H A 26 ASP O 1.0 0.0 2.3 28 28 A 26 ASP O A 30 LEU N 1.0 0.0 3.3 29 29 A 31 ILE H A 27 ALA O 1.0 0.0 2.3 30 30 A 27 ALA O A 31 ILE N 1.0 0.0 3.3 31 31 A 34 VAL H A 30 LEU O 1.0 0.0 2.3 32 32 A 30 LEU O A 34 VAL N 1.0 0.0 3.3 33 33 A 43 GLU H A 56 LYS O 1.0 0.0 2.3 34 34 A 56 LYS O A 43 GLU N 1.0 0.0 3.3 35 35 A 45 LEU H A 54 ILE O 1.0 0.0 2.3 36 36 A 54 ILE O A 45 LEU N 1.0 0.0 3.3 37 37 A 52 GLY H A 72 VAL O 1.0 0.0 2.3 38 38 A 72 VAL O A 52 GLY N 1.0 0.0 3.3 39 39 A 53 THR H A 50 GLY O 1.0 0.0 2.3 40 40 A 50 GLY O A 53 THR N 1.0 0.0 3.3 41 41 A 54 ILE H A 46 GLU O 1.0 0.0 2.3 42 42 A 46 GLU O A 54 ILE N 1.0 0.0 3.3 43 43 A 55 LYS H A 70 HIS O 1.0 0.0 2.3 44 44 A 70 HIS O A 55 LYS N 1.0 0.0 3.3 45 45 A 56 LYS H A 43 GLU O 1.0 0.0 2.3 46 46 A 43 GLU O A 56 LYS N 1.0 0.0 3.3 47 47 A 58 THR H A 41 SER O 1.0 0.0 2.3 48 48 A 41 SER O A 58 THR N 1.0 0.0 3.3 49 49 A 69 LYS H A 88 GLU O 1.0 0.0 2.3 50 50 A 88 GLU O A 69 LYS N 1.0 0.0 3.3 51 51 A 70 HIS H A 55 LYS O 1.0 0.0 2.3 52 52 A 55 LYS O A 70 HIS N 1.0 0.0 3.3 53 53 A 71 LYS H A 85 SER O 1.0 0.0 2.3 54 54 A 85 SER O A 71 LYS N 1.0 0.0 3.3 55 55 A 72 VAL H A 53 THR O 1.0 0.0 2.3 56 56 A 53 THR O A 72 VAL N 1.0 0.0 3.3 57 57 A 73 GLU H A 83 CYS O 1.0 0.0 2.3 58 58 A 83 CYS O A 73 GLU N 1.0 0.0 3.3 59 59 A 74 GLU H A 83 CYS O 1.0 0.0 2.3 60 60 A 83 CYS O A 74 GLU N 1.0 0.0 3.3 61 61 A 76 ASP H A 81 LYS O 1.0 0.0 2.3 62 62 A 81 LYS O A 76 ASP N 1.0 0.0 3.3 63 63 A 80 PHE H A 77 HIS O 1.0 0.0 2.3 64 64 A 77 HIS O A 80 PHE N 1.0 0.0 3.3 65 65 A 81 LYS H A 76 ASP O 1.0 0.0 2.3 66 66 A 76 ASP O A 81 LYS N 1.0 0.0 3.3 67 67 A 82 TYR H A 103 ILE O 1.0 0.0 2.3 68 68 A 103 ILE O A 82 TYR N 1.0 0.0 3.3 69 69 A 83 CYS H A 74 GLU O 1.0 0.0 2.3 70 70 A 74 GLU O A 83 CYS N 1.0 0.0 3.3 71 71 A 84 TYR H A 101 TYR O 1.0 0.0 2.3 72 72 A 101 TYR O A 84 TYR N 1.0 0.0 3.3 73 73 A 85 SER H A 71 LYS O 1.0 0.0 2.3 74 74 A 71 LYS O A 85 SER N 1.0 0.0 3.3 75 75 A 86 ILE H A 99 ILE O 1.0 0.0 2.3 76 76 A 99 ILE O A 86 ILE N 1.0 0.0 3.3 77 77 A 92 LEU H A 89 GLY O 1.0 0.0 2.3 78 78 A 89 GLY O A 92 LEU N 1.0 0.0 3.3 79 79 A 93 GLY H A 91 PRO O 1.0 0.0 2.3 80 80 A 91 PRO O A 93 GLY N 1.0 0.0 3.3 81 81 A 97 GLU H A 123 HIS O 1.0 0.0 2.3 82 82 A 123 HIS O A 97 GLU N 1.0 0.0 3.3 83 83 A 100 SER H A 121 LYS O 1.0 0.0 2.3 84 84 A 121 LYS O A 100 SER N 1.0 0.0 3.3 85 85 A 101 TYR H A 84 TYR O 1.0 0.0 2.3 86 86 A 84 TYR O A 101 TYR N 1.0 0.0 3.3 87 87 A 102 GLU H A 119 THR O 1.0 0.0 2.3 88 88 A 119 THR O A 102 GLU N 1.0 0.0 3.3 89 89 A 103 ILE H A 82 TYR O 1.0 0.0 2.3 90 90 A 82 TYR O A 103 ILE N 1.0 0.0 3.3 91 91 A 104 LYS H A 117 LYS O 1.0 0.0 2.3 92 92 A 117 LYS O A 104 LYS N 1.0 0.0 3.3 93 93 A 105 MET H A 80 PHE O 1.0 0.0 2.3 94 94 A 80 PHE O A 105 MET N 1.0 0.0 3.3 95 95 A 106 ALA H A 115 ILE O 1.0 0.0 2.3 96 96 A 115 ILE O A 106 ALA N 1.0 0.0 3.3 97 97 A 114 SER H A 12 SER O 1.0 0.0 2.3 98 98 A 12 SER O A 114 SER N 1.0 0.0 3.3 99 99 A 115 ILE H A 106 ALA O 1.0 0.0 2.3 100 100 A 106 ALA O A 115 ILE N 1.0 0.0 3.3 101 101 A 116 LEU H A 10 ALA O 1.0 0.0 2.3 102 102 A 10 ALA O A 116 LEU N 1.0 0.0 3.3 103 103 A 117 LYS H A 104 LYS O 1.0 0.0 2.3 104 104 A 104 LYS O A 117 LYS N 1.0 0.0 3.3 105 105 A 118 ILE H A 8 ASP O 1.0 0.0 2.3 106 106 A 8 ASP O A 118 ILE N 1.0 0.0 3.3 107 107 A 119 THR H A 102 GLU O 1.0 0.0 2.3 108 108 A 102 GLU O A 119 THR N 1.0 0.0 3.3 109 109 A 120 SER H A 6 TYR O 1.0 0.0 2.3 110 110 A 6 TYR O A 120 SER N 1.0 0.0 3.3 111 111 A 121 LYS H A 100 SER O 1.0 0.0 2.3 112 112 A 100 SER O A 121 LYS N 1.0 0.0 3.3 113 113 A 122 TYR H A 4 PHE O 1.0 0.0 2.3 114 114 A 4 PHE O A 122 TYR N 1.0 0.0 3.3 115 115 A 123 HIS H A 98 LYS O 1.0 0.0 2.3 116 116 A 98 LYS O A 123 HIS N 1.0 0.0 3.3 117 117 A 124 THR H A 2 GLY O 1.0 0.0 2.3 118 118 A 2 GLY O A 124 THR N 1.0 0.0 3.3 119 119 A 125 LYS H A 95 THR O 1.0 0.0 2.3 120 120 A 95 THR O A 125 LYS N 1.0 0.0 3.3 121 121 A 136 LYS H A 132 GLU O 1.0 0.0 2.3 122 122 A 132 GLU O A 136 LYS N 1.0 0.0 3.3 123 123 A 137 ALA H A 133 GLU O 1.0 0.0 2.3 124 124 A 133 GLU O A 137 ALA N 1.0 0.0 3.3 125 125 A 139 LYS H A 136 LYS O 1.0 0.0 2.3 126 126 A 136 LYS O A 139 LYS N 1.0 0.0 3.3 127 127 A 136 LYS O A 140 GLU H 1.0 0.0 2.3 128 128 A 136 LYS O A 140 GLU N 1.0 0.0 3.3 129 129 A 141 LYS H A 137 ALA O 1.0 0.0 2.3 130 130 A 137 ALA O A 141 LYS N 1.0 0.0 3.3 131 131 A 142 ALA H A 138 GLY O 1.0 0.0 2.3 132 132 A 138 GLY O A 142 ALA N 1.0 0.0 3.3 133 133 A 143 ALA H A 139 LYS O 1.0 0.0 2.3 134 134 A 139 LYS O A 143 ALA N 1.0 0.0 3.3 135 135 A 144 GLY H A 140 GLU O 1.0 0.0 2.3 136 136 A 140 GLU O A 144 GLY N 1.0 0.0 3.3 137 137 A 145 LEU H A 141 LYS O 1.0 0.0 2.3 138 138 A 141 LYS O A 145 LEU N 1.0 0.0 3.3 139 139 A 146 PHE H A 142 ALA O 1.0 0.0 2.3 140 140 A 142 ALA O A 146 PHE N 1.0 0.0 3.3 141 141 A 147 LYS H A 143 ALA O 1.0 0.0 2.3 142 142 A 143 ALA O A 147 LYS N 1.0 0.0 3.3 143 143 A 148 ALA H A 144 GLY O 1.0 0.0 2.3 144 144 A 144 GLY O A 148 ALA N 1.0 0.0 3.3 145 145 A 149 VAL H A 145 LEU O 1.0 0.0 2.3 146 146 A 145 LEU O A 149 VAL N 1.0 0.0 3.3 147 147 A 150 GLU H A 146 PHE O 1.0 0.0 2.3 148 148 A 146 PHE O A 150 GLU N 1.0 0.0 3.3 149 149 A 151 ALA H A 147 LYS O 1.0 0.0 2.3 150 150 A 147 LYS O A 151 ALA N 1.0 0.0 3.3 151 151 A 152 TYR H A 148 ALA O 1.0 0.0 2.3 152 152 A 148 ALA O A 152 TYR N 1.0 0.0 3.3 153 153 A 153 LEU H A 149 VAL O 1.0 0.0 2.3 154 154 A 149 VAL O A 153 LEU N 1.0 0.0 3.3 155 155 A 154 LEU H A 150 GLU O 1.0 0.0 2.3 156 156 A 150 GLU O A 154 LEU N 1.0 0.0 3.3 157 157 A 155 ALA H A 151 ALA O 1.0 0.0 2.3 158 158 A 151 ALA O A 155 ALA N 1.0 0.0 3.3 159 159 A 156 HIS H A 152 TYR O 1.0 0.0 2.3 160 160 A 152 TYR O A 156 HIS N 1.0 0.0 3.3 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 GLY C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -139.20 -78.40 PHI 2 2 A 3 VAL C A 4 PHE N A 4 PHE CA A 4 PHE C 1.0 -152.17 -85.61 PHI 3 3 A 4 PHE C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -160.72 -97.08 PHI 4 4 A 5 CYS C A 6 TYR N A 6 TYR CA A 6 TYR C 1.0 -161.89 -89.73 PHI 5 5 A 6 TYR C A 7 GLU N A 7 GLU CA A 7 GLU C 1.0 -161.94 -88.18 PHI 6 6 A 7 GLU C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -169.65 -96.49 PHI 7 7 A 8 ASP C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -162.44 -87.56 PHI 8 8 A 9 GLU C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -180.88 -66.24 PHI 9 9 A 10 ALA C A 11 THR N A 11 THR CA A 11 THR C 1.0 -154.03 -96.47 PHI 10 10 A 11 THR C A 12 SER N A 12 SER CA A 12 SER C 1.0 -160.20 -71.60 PHI 11 11 A 12 SER C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -118.80 -62.28 PHI 12 12 A 13 VAL C A 14 ILE N A 14 ILE CA A 14 ILE C 1.0 -137.29 -53.09 PHI 13 13 A 15 PRO C A 16 PRO N A 16 PRO CA A 16 PRO C 1.0 -66.54 -48.14 PHI 14 14 A 16 PRO C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -78.02 -47.14 PHI 15 15 A 17 ALA C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -71.94 -56.42 PHI 16 16 A 18 ARG C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -81.60 -52.32 PHI 17 17 A 19 LEU C A 20 PHE N A 20 PHE CA A 20 PHE C 1.0 -75.75 -48.67 PHI 18 18 A 20 PHE C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -95.41 -39.01 PHI 19 19 A 22 SER C A 23 PHE N A 23 PHE CA A 23 PHE C 1.0 -99.94 -41.90 PHI 20 20 A 23 PHE C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -84.34 -48.70 PHI 21 21 A 26 ASP C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -69.37 -49.53 PHI 22 22 A 27 ALA C A 28 ASP N A 28 ASP CA A 28 ASP C 1.0 -75.57 -45.81 PHI 23 23 A 28 ASP C A 29 ASN N A 29 ASN CA A 29 ASN C 1.0 -114.56 -61.20 PHI 24 24 A 29 ASN C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -100.01 -38.53 PHI 25 25 A 30 LEU C A 31 ILE N A 31 ILE CA A 31 ILE C 1.0 -81.98 -38.74 PHI 26 26 A 31 ILE C A 32 PRO N A 32 PRO CA A 32 PRO C 1.0 -68.28 -51.84 PHI 27 27 A 32 PRO C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -105.61 -52.89 PHI 28 28 A 33 LYS C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -154.61 -59.05 PHI 29 29 A 40 THR C A 41 SER N A 41 SER CA A 41 SER C 1.0 -185.47 -129.43 PHI 30 30 A 41 SER C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -168.09 -111.45 PHI 31 31 A 42 ALA C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -179.08 -98.76 PHI 32 32 A 43 GLU C A 44 ASN N A 44 ASN CA A 44 ASN C 1.0 -103.26 -63.54 PHI 33 33 A 52 GLY C A 53 THR N A 53 THR CA A 53 THR C 1.0 -113.41 -72.93 PHI 34 34 A 53 THR C A 54 ILE N A 54 ILE CA A 54 ILE C 1.0 -140.86 -89.46 PHI 35 35 A 54 ILE C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -145.51 -97.47 PHI 36 36 A 55 LYS C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -153.99 -92.51 PHI 37 37 A 56 LYS C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -131.87 -80.91 PHI 38 38 A 57 ILE C A 58 THR N A 58 THR CA A 58 THR C 1.0 -158.02 -60.06 PHI 39 39 A 67 TYR C A 68 MET N A 68 MET CA A 68 MET C 1.0 -163.36 -96.04 PHI 40 40 A 68 MET C A 69 LYS N A 69 LYS CA A 69 LYS C 1.0 -164.71 -91.07 PHI 41 41 A 69 LYS C A 70 HIS N A 70 HIS CA A 70 HIS C 1.0 -162.51 -106.91 PHI 42 42 A 70 HIS C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -164.69 -86.61 PHI 43 43 A 71 LYS C A 72 VAL N A 72 VAL CA A 72 VAL C 1.0 -120.74 -42.66 PHI 44 44 A 73 GLU C A 74 GLU N A 74 GLU CA A 74 GLU C 1.0 -178.82 -123.42 PHI 45 45 A 74 GLU C A 75 ILE N A 75 ILE CA A 75 ILE C 1.0 -159.85 -93.45 PHI 46 46 A 75 ILE C A 76 ASP N A 76 ASP CA A 76 ASP C 1.0 -134.58 -56.90 PHI 47 47 A 76 ASP C A 77 HIS N A 77 HIS CA A 77 HIS C 1.0 -70.38 -48.50 PHI 48 48 A 77 HIS C A 78 ALA N A 78 ALA CA A 78 ALA C 1.0 -92.86 -44.14 PHI 49 49 A 80 PHE C A 81 LYS N A 81 LYS CA A 81 LYS C 1.0 -148.98 -101.62 PHI 50 50 A 81 LYS C A 82 TYR N A 82 TYR CA A 82 TYR C 1.0 -155.70 -92.78 PHI 51 51 A 82 TYR C A 83 CYS N A 83 CYS CA A 83 CYS C 1.0 -137.65 -98.49 PHI 52 52 A 83 CYS C A 84 TYR N A 84 TYR CA A 84 TYR C 1.0 -168.93 -120.97 PHI 53 53 A 84 TYR C A 85 SER N A 85 SER CA A 85 SER C 1.0 -163.80 -91.72 PHI 54 54 A 93 GLY C A 94 HIS N A 94 HIS CA A 94 HIS C 1.0 -144.20 -69.12 PHI 55 55 A 97 GLU C A 98 LYS N A 98 LYS CA A 98 LYS C 1.0 -212.54 -69.18 PHI 56 56 A 98 LYS C A 99 ILE N A 99 ILE CA A 99 ILE C 1.0 -152.09 -85.97 PHI 57 57 A 99 ILE C A 100 SER N A 100 SER CA A 100 SER C 1.0 -164.80 -68.36 PHI 58 58 A 100 SER C A 101 TYR N A 101 TYR CA A 101 TYR C 1.0 -151.01 -89.53 PHI 59 59 A 101 TYR C A 102 GLU N A 102 GLU CA A 102 GLU C 1.0 -152.96 -82.56 PHI 60 60 A 102 GLU C A 103 ILE N A 103 ILE CA A 103 ILE C 1.0 -131.53 -107.81 PHI 61 61 A 103 ILE C A 104 LYS N A 104 LYS CA A 104 LYS C 1.0 -135.61 -108.69 PHI 62 62 A 104 LYS C A 105 MET N A 105 MET CA A 105 MET C 1.0 -158.84 -77.76 PHI 63 63 A 105 MET C A 106 ALA N A 106 ALA CA A 106 ALA C 1.0 -176.74 -118.26 PHI 64 64 A 106 ALA C A 107 ALA N A 107 ALA CA A 107 ALA C 1.0 -107.07 -52.67 PHI 65 65 A 107 ALA C A 108 ALA N A 108 ALA CA A 108 ALA C 1.0 -148.91 -26.83 PHI 66 66 A 113 GLY C A 114 SER N A 114 SER CA A 114 SER C 1.0 -170.65 -81.61 PHI 67 67 A 114 SER C A 115 ILE N A 115 ILE CA A 115 ILE C 1.0 -144.24 -97.28 PHI 68 68 A 115 ILE C A 116 LEU N A 116 LEU CA A 116 LEU C 1.0 -129.42 -91.62 PHI 69 69 A 116 LEU C A 117 LYS N A 117 LYS CA A 117 LYS C 1.0 -152.60 -85.32 PHI 70 70 A 117 LYS C A 118 ILE N A 118 ILE CA A 118 ILE C 1.0 -139.05 -106.69 PHI 71 71 A 118 ILE C A 119 THR N A 119 THR CA A 119 THR C 1.0 -132.94 -94.34 PHI 72 72 A 119 THR C A 120 SER N A 120 SER CA A 120 SER C 1.0 -157.04 -86.68 PHI 73 73 A 120 SER C A 121 LYS N A 121 LYS CA A 121 LYS C 1.0 -168.13 -83.13 PHI 74 74 A 121 LYS C A 122 TYR N A 122 TYR CA A 122 TYR C 1.0 -142.47 -81.31 PHI 75 75 A 122 TYR C A 123 HIS N A 123 HIS CA A 123 HIS C 1.0 -120.56 -80.64 PHI 76 76 A 123 HIS C A 124 THR N A 124 THR CA A 124 THR C 1.0 -164.76 -71.44 PHI 77 77 A 130 ILE C A 131 ASN N A 131 ASN CA A 131 ASN C 1.0 -144.50 -37.14 PHI 78 78 A 131 ASN C A 132 GLU N A 132 GLU CA A 132 GLU C 1.0 -68.99 -49.03 PHI 79 79 A 132 GLU C A 133 GLU N A 133 GLU CA A 133 GLU C 1.0 -72.62 -52.86 PHI 80 80 A 133 GLU C A 134 GLU N A 134 GLU CA A 134 GLU C 1.0 -79.81 -49.37 PHI 81 81 A 134 GLU C A 135 ILE N A 135 ILE CA A 135 ILE C 1.0 -87.09 -51.37 PHI 82 82 A 135 ILE C A 136 LYS N A 136 LYS CA A 136 LYS C 1.0 -70.82 -55.82 PHI 83 83 A 136 LYS C A 137 ALA N A 137 ALA CA A 137 ALA C 1.0 -70.72 -55.12 PHI 84 84 A 137 ALA C A 138 GLY N A 138 GLY CA A 138 GLY C 1.0 -79.70 -55.18 PHI 85 85 A 138 GLY C A 139 LYS N A 139 LYS CA A 139 LYS C 1.0 -76.32 -51.40 PHI 86 86 A 139 LYS C A 140 GLU N A 140 GLU CA A 140 GLU C 1.0 -77.27 -53.27 PHI 87 87 A 140 GLU C A 141 LYS N A 141 LYS CA A 141 LYS C 1.0 -74.43 -57.47 PHI 88 88 A 141 LYS C A 142 ALA N A 142 ALA CA A 142 ALA C 1.0 -79.78 -49.10 PHI 89 89 A 142 ALA C A 143 ALA N A 143 ALA CA A 143 ALA C 1.0 -73.56 -50.12 PHI 90 90 A 143 ALA C A 144 GLY N A 144 GLY CA A 144 GLY C 1.0 -71.31 -56.75 PHI 91 91 A 144 GLY C A 145 LEU N A 145 LEU CA A 145 LEU C 1.0 -75.45 -54.37 PHI 92 92 A 145 LEU C A 146 PHE N A 146 PHE CA A 146 PHE C 1.0 -70.57 -54.93 PHI 93 93 A 146 PHE C A 147 LYS N A 147 LYS CA A 147 LYS C 1.0 -70.00 -56.92 PHI 94 94 A 147 LYS C A 148 ALA N A 148 ALA CA A 148 ALA C 1.0 -79.05 -57.17 PHI 95 95 A 148 ALA C A 149 VAL N A 149 VAL CA A 149 VAL C 1.0 -74.38 -57.50 PHI 96 96 A 149 VAL C A 150 GLU N A 150 GLU CA A 150 GLU C 1.0 -73.15 -44.79 PHI 97 97 A 150 GLU C A 151 ALA N A 151 ALA CA A 151 ALA C 1.0 -72.81 -49.49 PHI 98 98 A 151 ALA C A 152 TYR N A 152 TYR CA A 152 TYR C 1.0 -74.31 -59.67 PHI 99 99 A 152 TYR C A 153 LEU N A 153 LEU CA A 153 LEU C 1.0 -79.04 -52.60 PHI 100 100 A 153 LEU C A 154 LEU N A 154 LEU CA A 154 LEU C 1.0 -79.93 -56.17 PHI 101 101 A 154 LEU C A 155 ALA N A 155 ALA CA A 155 ALA C 1.0 -102.40 -54.36 PHI 102 102 A 156 HIS C A 157 PRO N A 157 PRO CA A 157 PRO C 1.0 -75.80 -40.84 PHI 103 103 A 157 PRO C A 158 ASP N A 158 ASP CA A 158 ASP C 1.0 -106.53 -57.05 PHI 104 104 A 158 ASP C A 159 ALA N A 159 ALA CA A 159 ALA C 1.0 -118.92 -41.12 PHI 105 105 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 PHE N 1.0 119.21 150.13 PSI 106 106 A 4 PHE N A 4 PHE CA A 4 PHE C A 5 CYS N 1.0 101.94 152.42 PSI 107 107 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 TYR N 1.0 102.42 174.54 PSI 108 108 A 6 TYR N A 6 TYR CA A 6 TYR C A 7 GLU N 1.0 112.24 151.72 PSI 109 109 A 7 GLU N A 7 GLU CA A 7 GLU C A 8 ASP N 1.0 127.13 169.97 PSI 110 110 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 GLU N 1.0 117.28 163.16 PSI 111 111 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 ALA N 1.0 107.23 169.27 PSI 112 112 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 THR N 1.0 108.92 171.16 PSI 113 113 A 11 THR N A 11 THR CA A 11 THR C A 12 SER N 1.0 113.60 165.00 PSI 114 114 A 12 SER N A 12 SER CA A 12 SER C A 13 VAL N 1.0 123.06 170.90 PSI 115 115 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 ILE N 1.0 92.68 159.36 PSI 116 116 A 14 ILE N A 14 ILE CA A 14 ILE C A 15 PRO N 1.0 101.59 183.91 PSI 117 117 A 16 PRO N A 16 PRO CA A 16 PRO C A 17 ALA N 1.0 -46.27 -21.11 PSI 118 118 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 ARG N 1.0 -55.94 -27.86 PSI 119 119 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 LEU N 1.0 -51.98 -30.74 PSI 120 120 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 PHE N 1.0 -51.91 -31.63 PSI 121 121 A 20 PHE N A 20 PHE CA A 20 PHE C A 21 LYS N 1.0 -54.77 -24.89 PSI 122 122 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 SER N 1.0 -65.60 8.36 PSI 123 123 A 23 PHE N A 23 PHE CA A 23 PHE C A 24 VAL N 1.0 -50.38 -1.82 PSI 124 124 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 LEU N 1.0 -52.17 -18.93 PSI 125 125 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 ASP N 1.0 -51.74 -25.50 PSI 126 126 A 28 ASP N A 28 ASP CA A 28 ASP C A 29 ASN N 1.0 -48.10 -14.26 PSI 127 127 A 29 ASN N A 29 ASN CA A 29 ASN C A 30 LEU N 1.0 -73.19 26.61 PSI 128 128 A 30 LEU N A 30 LEU CA A 30 LEU C A 31 ILE N 1.0 -63.80 -18.52 PSI 129 129 A 31 ILE N A 31 ILE CA A 31 ILE C A 32 PRO N 1.0 -61.45 -25.97 PSI 130 130 A 32 PRO N A 32 PRO CA A 32 PRO C A 33 LYS N 1.0 -50.09 -10.69 PSI 131 131 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 VAL N 1.0 -64.55 3.37 PSI 132 132 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 ALA N 1.0 -52.07 30.25 PSI 133 133 A 41 SER N A 41 SER CA A 41 SER C A 42 ALA N 1.0 122.33 195.41 PSI 134 134 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 GLU N 1.0 125.64 170.40 PSI 135 135 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 ASN N 1.0 103.63 178.19 PSI 136 136 A 44 ASN N A 44 ASN CA A 44 ASN C A 45 LEU N 1.0 107.38 147.78 PSI 137 137 A 53 THR N A 53 THR CA A 53 THR C A 54 ILE N 1.0 116.52 141.20 PSI 138 138 A 54 ILE N A 54 ILE CA A 54 ILE C A 55 LYS N 1.0 108.91 137.95 PSI 139 139 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 LYS N 1.0 122.20 162.04 PSI 140 140 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 ILE N 1.0 100.52 147.40 PSI 141 141 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 THR N 1.0 110.93 138.09 PSI 142 142 A 58 THR N A 58 THR CA A 58 THR C A 59 PHE N 1.0 98.87 151.83 PSI 143 143 A 68 MET N A 68 MET CA A 68 MET C A 69 LYS N 1.0 120.06 178.90 PSI 144 144 A 69 LYS N A 69 LYS CA A 69 LYS C A 70 HIS N 1.0 111.39 168.27 PSI 145 145 A 70 HIS N A 70 HIS CA A 70 HIS C A 71 LYS N 1.0 124.75 174.19 PSI 146 146 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 VAL N 1.0 93.88 171.56 PSI 147 147 A 72 VAL N A 72 VAL CA A 72 VAL C A 73 GLU N 1.0 119.37 147.61 PSI 148 148 A 74 GLU N A 74 GLU CA A 74 GLU C A 75 ILE N 1.0 129.66 161.98 PSI 149 149 A 75 ILE N A 75 ILE CA A 75 ILE C A 76 ASP N 1.0 106.89 146.65 PSI 150 150 A 76 ASP N A 76 ASP CA A 76 ASP C A 77 HIS N 1.0 67.74 181.66 PSI 151 151 A 77 HIS N A 77 HIS CA A 77 HIS C A 78 ALA N 1.0 -56.81 -5.01 PSI 152 152 A 78 ALA N A 78 ALA CA A 78 ALA C A 79 ASN N 1.0 -51.46 -7.30 PSI 153 153 A 81 LYS N A 81 LYS CA A 81 LYS C A 82 TYR N 1.0 117.74 160.02 PSI 154 154 A 82 TYR N A 82 TYR CA A 82 TYR C A 83 CYS N 1.0 114.83 148.91 PSI 155 155 A 83 CYS N A 83 CYS CA A 83 CYS C A 84 TYR N 1.0 104.97 156.93 PSI 156 156 A 84 TYR N A 84 TYR CA A 84 TYR C A 85 SER N 1.0 129.06 186.10 PSI 157 157 A 85 SER N A 85 SER CA A 85 SER C A 86 ILE N 1.0 106.07 174.99 PSI 158 158 A 94 HIS N A 94 HIS CA A 94 HIS C A 95 THR N 1.0 74.25 185.93 PSI 159 159 A 98 LYS N A 98 LYS CA A 98 LYS C A 99 ILE N 1.0 133.59 170.51 PSI 160 160 A 99 ILE N A 99 ILE CA A 99 ILE C A 100 SER N 1.0 113.27 152.11 PSI 161 161 A 100 SER N A 100 SER CA A 100 SER C A 101 TYR N 1.0 106.01 173.05 PSI 162 162 A 101 TYR N A 101 TYR CA A 101 TYR C A 102 GLU N 1.0 120.77 167.77 PSI 163 163 A 102 GLU N A 102 GLU CA A 102 GLU C A 103 ILE N 1.0 96.02 143.62 PSI 164 164 A 103 ILE N A 103 ILE CA A 103 ILE C A 104 LYS N 1.0 118.82 141.74 PSI 165 165 A 104 LYS N A 104 LYS CA A 104 LYS C A 105 MET N 1.0 109.27 155.47 PSI 166 166 A 105 MET N A 105 MET CA A 105 MET C A 106 ALA N 1.0 116.81 163.25 PSI 167 167 A 106 ALA N A 106 ALA CA A 106 ALA C A 107 ALA N 1.0 127.69 180.89 PSI 168 168 A 107 ALA N A 107 ALA CA A 107 ALA C A 108 ALA N 1.0 99.20 151.48 PSI 169 169 A 108 ALA N A 108 ALA CA A 108 ALA C A 109 PRO N 1.0 102.26 178.78 PSI 170 170 A 114 SER N A 114 SER CA A 114 SER C A 115 ILE N 1.0 119.01 181.89 PSI 171 171 A 115 ILE N A 115 ILE CA A 115 ILE C A 116 LEU N 1.0 103.26 151.50 PSI 172 172 A 116 LEU N A 116 LEU CA A 116 LEU C A 117 LYS N 1.0 96.32 160.20 PSI 173 173 A 117 LYS N A 117 LYS CA A 117 LYS C A 118 ILE N 1.0 107.79 153.19 PSI 174 174 A 118 ILE N A 118 ILE CA A 118 ILE C A 119 THR N 1.0 110.66 140.78 PSI 175 175 A 119 THR N A 119 THR CA A 119 THR C A 120 SER N 1.0 104.49 142.45 PSI 176 176 A 120 SER N A 120 SER CA A 120 SER C A 121 LYS N 1.0 96.89 176.37 PSI 177 177 A 121 LYS N A 121 LYS CA A 121 LYS C A 122 TYR N 1.0 104.16 179.12 PSI 178 178 A 122 TYR N A 122 TYR CA A 122 TYR C A 123 HIS N 1.0 104.65 147.53 PSI 179 179 A 123 HIS N A 123 HIS CA A 123 HIS C A 124 THR N 1.0 114.40 151.40 PSI 180 180 A 124 THR N A 124 THR CA A 124 THR C A 125 LYS N 1.0 105.96 188.40 PSI 181 181 A 131 ASN N A 131 ASN CA A 131 ASN C A 132 GLU N 1.0 87.06 177.66 PSI 182 182 A 132 GLU N A 132 GLU CA A 132 GLU C A 133 GLU N 1.0 -46.12 -21.04 PSI 183 183 A 133 GLU N A 133 GLU CA A 133 GLU C A 134 GLU N 1.0 -47.07 -27.59 PSI 184 184 A 134 GLU N A 134 GLU CA A 134 GLU C A 135 ILE N 1.0 -50.25 -25.33 PSI 185 185 A 135 ILE N A 135 ILE CA A 135 ILE C A 136 LYS N 1.0 -54.60 -29.48 PSI 186 186 A 136 LYS N A 136 LYS CA A 136 LYS C A 137 ALA N 1.0 -55.65 -24.69 PSI 187 187 A 137 ALA N A 137 ALA CA A 137 ALA C A 138 GLY N 1.0 -49.34 -31.70 PSI 188 188 A 138 GLY N A 138 GLY CA A 138 GLY C A 139 LYS N 1.0 -52.21 -30.13 PSI 189 189 A 139 LYS N A 139 LYS CA A 139 LYS C A 140 GLU N 1.0 -54.82 -31.98 PSI 190 190 A 140 GLU N A 140 GLU CA A 140 GLU C A 141 LYS N 1.0 -53.99 -34.51 PSI 191 191 A 141 LYS N A 141 LYS CA A 141 LYS C A 142 ALA N 1.0 -45.85 -34.09 PSI 192 192 A 142 ALA N A 142 ALA CA A 142 ALA C A 143 ALA N 1.0 -58.99 -20.11 PSI 193 193 A 143 ALA N A 143 ALA CA A 143 ALA C A 144 GLY N 1.0 -56.63 -30.15 PSI 194 194 A 144 GLY N A 144 GLY CA A 144 GLY C A 145 LEU N 1.0 -52.43 -24.55 PSI 195 195 A 145 LEU N A 145 LEU CA A 145 LEU C A 146 PHE N 1.0 -51.75 -37.95 PSI 196 196 A 146 PHE N A 146 PHE CA A 146 PHE C A 147 LYS N 1.0 -57.24 -30.32 PSI 197 197 A 147 LYS N A 147 LYS CA A 147 LYS C A 148 ALA N 1.0 -52.12 -21.28 PSI 198 198 A 148 ALA N A 148 ALA CA A 148 ALA C A 149 VAL N 1.0 -52.16 -25.96 PSI 199 199 A 149 VAL N A 149 VAL CA A 149 VAL C A 150 GLU N 1.0 -49.09 -34.65 PSI 200 200 A 150 GLU N A 150 GLU CA A 150 GLU C A 151 ALA N 1.0 -61.70 -35.94 PSI 201 201 A 151 ALA N A 151 ALA CA A 151 ALA C A 152 TYR N 1.0 -45.67 -34.23 PSI 202 202 A 152 TYR N A 152 TYR CA A 152 TYR C A 153 LEU N 1.0 -60.11 -28.71 PSI 203 203 A 153 LEU N A 153 LEU CA A 153 LEU C A 154 LEU N 1.0 -53.03 -28.87 PSI 204 204 A 154 LEU N A 154 LEU CA A 154 LEU C A 155 ALA N 1.0 -46.71 -11.91 PSI 205 205 A 155 ALA N A 155 ALA CA A 155 ALA C A 156 HIS N 1.0 -58.21 19.67 PSI 206 206 A 157 PRO N A 157 PRO CA A 157 PRO C A 158 ASP N 1.0 -46.56 1.36 PSI 207 207 A 158 ASP N A 158 ASP CA A 158 ASP C A 159 ALA N 1.0 -36.42 17.90 PSI 208 208 A 159 ALA N A 159 ALA CA A 159 ALA C A 160 TYR N 1.0 131.33 171.25 PSI stop_ save_