data_nef_c19921_2mo5 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MO5 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 -10 ALA start . . 2 A -9 HIS middle . . 3 A -8 HIS middle . . 4 A -7 HIS middle . . 5 A -6 HIS middle . . 6 A -5 HIS middle . . 7 A -4 HIS middle . . 8 A -3 VAL middle . . 9 A -2 GLY middle . false 10 A -1 THR middle . . 11 A 0 GLN middle . . 12 A 1 ALA middle . . 13 A 2 PHE middle . . 14 A 3 ASP middle . . 15 A 4 SER middle . . 16 A 5 THR middle . . 17 A 6 TRP middle . . 18 A 7 LYS middle . . 19 A 8 VAL middle . . 20 A 9 ASP middle . . 21 A 10 ARG middle . . 22 A 11 SER middle . . 23 A 12 GLU middle . . 24 A 13 ASN middle . . 25 A 14 TYR middle . . 26 A 15 ASP middle . . 27 A 16 LYS middle . . 28 A 17 PHE middle . . 29 A 18 MET middle . . 30 A 19 GLU middle . . 31 A 20 LYS middle . . 32 A 21 MET middle . . 33 A 22 GLY middle . false 34 A 23 VAL middle . . 35 A 24 ASN middle . . 36 A 25 ILE middle . . 37 A 26 VAL middle . . 38 A 27 LYS middle . . 39 A 28 ARG middle . . 40 A 29 LYS middle . . 41 A 30 LEU middle . . 42 A 31 ALA middle . . 43 A 32 ALA middle . . 44 A 33 HIS middle . . 45 A 34 ASP middle . . 46 A 35 ASN middle . . 47 A 36 LEU middle . . 48 A 37 LYS middle . . 49 A 38 LEU middle . . 50 A 39 THR middle . . 51 A 40 ILE middle . . 52 A 41 THR middle . . 53 A 42 GLN middle . . 54 A 43 GLU middle . . 55 A 44 GLY middle . false 56 A 45 ASN middle . . 57 A 46 LYS middle . . 58 A 47 PHE middle . . 59 A 48 THR middle . . 60 A 49 VAL middle . . 61 A 50 LYS middle . . 62 A 51 GLU middle . . 63 A 52 SER middle . . 64 A 53 SER middle . . 65 A 54 ALA middle . . 66 A 55 PHE middle . . 67 A 56 ARG middle . . 68 A 57 ASN middle . . 69 A 58 ILE middle . . 70 A 59 GLU middle . . 71 A 60 VAL middle . . 72 A 61 VAL middle . . 73 A 62 PHE middle . . 74 A 63 GLU middle . . 75 A 64 LEU middle . . 76 A 65 GLY middle . false 77 A 66 VAL middle . . 78 A 67 THR middle . . 79 A 68 PHE middle . . 80 A 69 ASN middle . . 81 A 70 TYR middle . . 82 A 71 ASN middle . . 83 A 72 LEU middle . . 84 A 73 ALA middle . . 85 A 74 ASP middle . . 86 A 75 GLY middle . false 87 A 76 THR middle . . 88 A 77 GLU middle . . 89 A 78 LEU middle . . 90 A 79 ARG middle . . 91 A 80 GLY middle . false 92 A 81 THR middle . . 93 A 82 TRP middle . . 94 A 83 SER middle . . 95 A 84 LEU middle . . 96 A 85 GLU middle . . 97 A 86 GLY middle . false 98 A 87 ASN middle . . 99 A 88 LYS middle . . 100 A 89 LEU middle . . 101 A 90 ILE middle . . 102 A 91 GLY middle . false 103 A 92 LYS middle . . 104 A 93 PHE middle . . 105 A 94 LYS middle . . 106 A 95 ARG middle . . 107 A 96 THR middle . . 108 A 97 ASP middle . . 109 A 98 ASN middle . . 110 A 99 GLY middle . false 111 A 100 ASN middle . . 112 A 101 GLU middle . . 113 A 102 LEU middle . . 114 A 103 ASN middle . . 115 A 104 THR middle . . 116 A 105 VAL middle . . 117 A 106 ARG middle . . 118 A 107 GLU middle . . 119 A 108 ILE middle . . 120 A 109 ILE middle . . 121 A 110 GLY middle . false 122 A 111 ASP middle . . 123 A 112 GLU middle . . 124 A 113 LEU middle . . 125 A 114 VAL middle . . 126 A 115 GLN middle . . 127 A 116 THR middle . . 128 A 117 TYR middle . . 129 A 118 VAL middle . . 130 A 119 TYR middle . . 131 A 120 GLU middle . . 132 A 121 GLY middle . false 133 A 122 VAL middle . . 134 A 123 GLU middle . . 135 A 124 ALA middle . . 136 A 125 LYS middle . . 137 A 126 ARG middle . . 138 A 127 ILE middle . . 139 A 128 PHE middle . . 140 A 129 LYS middle . . 141 A 130 LYS middle . . 142 A 131 ASP end . . 143 B 1 OLA . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A -4 HIS HA H 1 4.53 0.025 A -4 HIS HB2 H 1 2.95 0.025 A -4 HIS HB3 H 1 2.99 0.025 A -4 HIS CA C 13 55.27 0.400 A -4 HIS CB C 13 29.68 0.400 A -3 VAL H H 1 8.2 0.025 A -3 VAL HA H 1 4.03 0.025 A -3 VAL HB H 1 1.94 0.025 A -3 VAL HGx% H 1 0.82 0.025 A -3 VAL HGy% H 1 0.82 0.025 A -3 VAL CA C 13 61.94 0.400 A -3 VAL CB C 13 32.66 0.400 A -3 VAL CGx C 13 20.1 0.400 A -3 VAL CGy C 13 20.14 0.400 A -3 VAL N N 15 120.79 0.400 A -2 GLY H H 1 8.45 0.025 A -2 GLY HA2 H 1 3.93 0.025 A -2 GLY HA3 H 1 3.99 0.025 A -2 GLY CA C 13 44.97 0.400 A -2 GLY N N 15 110.93 0.400 A -1 THR H H 1 8.06 0.025 A -1 THR HA H 1 4.26 0.025 A -1 THR HB H 1 4.22 0.025 A -1 THR HG2% H 1 1.14 0.025 A -1 THR CA C 13 61.69 0.400 A -1 THR CB C 13 69.11 0.400 A -1 THR CG2 C 13 21.72 0.400 A -1 THR N N 15 111.34 0.400 A 0 GLN H H 1 8.38 0.025 A 0 GLN HA H 1 4.24 0.025 A 0 GLN HB2 H 1 1.95 0.025 A 0 GLN HB3 H 1 2.07 0.025 A 0 GLN HE21 H 1 7.63 0.025 A 0 GLN HE22 H 1 6.75 0.025 A 0 GLN HG2 H 1 2.18 0.025 A 0 GLN HG3 H 1 2.2 0.025 A 0 GLN CA C 13 55.61 0.400 A 0 GLN CB C 13 28.29 0.400 A 0 GLN CG C 13 34.06 0.400 A 0 GLN N N 15 120.38 0.400 A 0 GLN NE2 N 15 111.41 0.400 A 1 ALA H H 1 8.2 0.025 A 1 ALA HA H 1 3.96 0.025 A 1 ALA HB% H 1 1.06 0.025 A 1 ALA CA C 13 53.59 0.400 A 1 ALA CB C 13 18.97 0.400 A 1 ALA N N 15 121.24 0.400 A 2 PHE H H 1 8.27 0.025 A 2 PHE HA H 1 4.37 0.025 A 2 PHE HB2 H 1 3.04 0.025 A 2 PHE HB3 H 1 3.04 0.025 A 2 PHE HD1 H 1 6.93 0.025 A 2 PHE HD2 H 1 6.93 0.025 A 2 PHE HE1 H 1 6.77 0.025 A 2 PHE HE2 H 1 6.77 0.025 A 2 PHE CA C 13 59.05 0.400 A 2 PHE CB C 13 38.98 0.400 A 2 PHE CD1 C 13 130.77 0.400 A 2 PHE CD2 C 13 130.77 0.400 A 2 PHE CE1 C 13 130.69 0.400 A 2 PHE CE2 C 13 130.69 0.400 A 2 PHE N N 15 111.16 0.400 A 3 ASP H H 1 7.52 0.025 A 3 ASP HA H 1 4.81 0.025 A 3 ASP HB2 H 1 2.57 0.025 A 3 ASP HB3 H 1 2.72 0.025 A 3 ASP CA C 13 54.35 0.400 A 3 ASP CB C 13 39.09 0.400 A 3 ASP N N 15 117.4 0.400 A 4 SER H H 1 8.19 0.025 A 4 SER HA H 1 4.13 0.025 A 4 SER HB2 H 1 2.29 0.025 A 4 SER HB3 H 1 3.13 0.025 A 4 SER CA C 13 59.05 0.400 A 4 SER CB C 13 64.9 0.400 A 4 SER N N 15 119.7 0.400 A 5 THR H H 1 8.02 0.025 A 5 THR HA H 1 5.03 0.025 A 5 THR HB H 1 3.89 0.025 A 5 THR HG2% H 1 1.1 0.025 A 5 THR CA C 13 63.03 0.400 A 5 THR CB C 13 68.85 0.400 A 5 THR CG2 C 13 21.66 0.400 A 5 THR N N 15 114.6 0.400 A 6 TRP H H 1 9.46 0.025 A 6 TRP HA H 1 5.18 0.025 A 6 TRP HB2 H 1 3.04 0.025 A 6 TRP HB3 H 1 2.87 0.025 A 6 TRP HD1 H 1 6.76 0.025 A 6 TRP HE1 H 1 9.83 0.025 A 6 TRP HE3 H 1 7.04 0.025 A 6 TRP HH2 H 1 6.79 0.025 A 6 TRP HZ2 H 1 7.27 0.025 A 6 TRP HZ3 H 1 7.17 0.025 A 6 TRP CA C 13 54.83 0.400 A 6 TRP CB C 13 31.9 0.400 A 6 TRP CD1 C 13 127.03 0.400 A 6 TRP CE3 C 13 119.6 0.400 A 6 TRP CH2 C 13 124.27 0.400 A 6 TRP CZ2 C 13 114.04 0.400 A 6 TRP CZ3 C 13 123.18 0.400 A 6 TRP N N 15 127.38 0.400 A 6 TRP NE1 N 15 125.45 0.400 A 7 LYS H H 1 9.88 0.025 A 7 LYS HA H 1 5.38 0.025 A 7 LYS HB2 H 1 1.75 0.025 A 7 LYS HB3 H 1 1.82 0.025 A 7 LYS HD2 H 1 1.59 0.025 A 7 LYS HD3 H 1 1.59 0.025 A 7 LYS HG2 H 1 1.41 0.025 A 7 LYS HG3 H 1 1.41 0.025 A 7 LYS CA C 13 54.16 0.400 A 7 LYS CB C 13 35.59 0.400 A 7 LYS CD C 13 29.34 0.400 A 7 LYS CG C 13 24.43 0.400 A 7 LYS N N 15 121.79 0.400 A 8 VAL H H 1 8.78 0.025 A 8 VAL HA H 1 3.25 0.025 A 8 VAL HB H 1 1.66 0.025 A 8 VAL HGx% H 1 0.16 0.025 A 8 VAL HGy% H 1 0.84 0.025 A 8 VAL CA C 13 64.1 0.400 A 8 VAL CB C 13 31.27 0.400 A 8 VAL CGy C 13 21.92 0.400 A 8 VAL CGx C 13 19.76 0.400 A 8 VAL N N 15 126.78 0.400 A 9 ASP H H 1 9.7 0.025 A 9 ASP HA H 1 4.86 0.025 A 9 ASP HB2 H 1 2.49 0.025 A 9 ASP HB3 H 1 2.39 0.025 A 9 ASP CA C 13 55.11 0.400 A 9 ASP CB C 13 46.43 0.400 A 9 ASP N N 15 126.35 0.400 A 10 ARG H H 1 7.72 0.025 A 10 ARG HA H 1 4.67 0.025 A 10 ARG HB2 H 1 1.78 0.025 A 10 ARG HB3 H 1 1.78 0.025 A 10 ARG HD2 H 1 2.98 0.025 A 10 ARG HD3 H 1 3.09 0.025 A 10 ARG HE H 1 7.17 0.025 A 10 ARG HG2 H 1 1.22 0.025 A 10 ARG HG3 H 1 1.57 0.025 A 10 ARG CA C 13 54.69 0.400 A 10 ARG CB C 13 30.91 0.400 A 10 ARG CD C 13 43.29 0.400 A 10 ARG CG C 13 26.01 0.400 A 10 ARG N N 15 111.23 0.400 A 10 ARG NE N 15 82.58 0.400 A 11 SER H H 1 8.54 0.025 A 11 SER HA H 1 5.23 0.025 A 11 SER HB2 H 1 3.68 0.025 A 11 SER HB3 H 1 3.63 0.025 A 11 SER CA C 13 56.98 0.400 A 11 SER CB C 13 65.87 0.400 A 11 SER N N 15 111.88 0.400 A 12 GLU H H 1 9.42 0.025 A 12 GLU HA H 1 4.66 0.025 A 12 GLU HB2 H 1 1.74 0.025 A 12 GLU HB3 H 1 1.94 0.025 A 12 GLU HG2 H 1 1.99 0.025 A 12 GLU HG3 H 1 2.11 0.025 A 12 GLU CA C 13 55.04 0.400 A 12 GLU CB C 13 32.66 0.400 A 12 GLU CG C 13 35.27 0.400 A 12 GLU N N 15 121.14 0.400 A 13 ASN H H 1 9.29 0.025 A 13 ASN HA H 1 4.65 0.025 A 13 ASN HB2 H 1 3.78 0.025 A 13 ASN HB3 H 1 2.67 0.025 A 13 ASN HD21 H 1 6.86 0.025 A 13 ASN HD22 H 1 8.07 0.025 A 13 ASN CA C 13 53.83 0.400 A 13 ASN CB C 13 39.45 0.400 A 13 ASN N N 15 120.67 0.400 A 13 ASN ND2 N 15 109.87 0.400 A 14 TYR H H 1 8.29 0.025 A 14 TYR HA H 1 4.4 0.025 A 14 TYR HB2 H 1 3.14 0.025 A 14 TYR HB3 H 1 2.85 0.025 A 14 TYR HD1 H 1 6.89 0.025 A 14 TYR HD2 H 1 6.89 0.025 A 14 TYR HE1 H 1 6.4 0.025 A 14 TYR HE2 H 1 6.4 0.025 A 14 TYR CA C 13 58.9 0.400 A 14 TYR CB C 13 39.34 0.400 A 14 TYR CD1 C 13 131.2 0.400 A 14 TYR CD2 C 13 131.21 0.400 A 14 TYR CE1 C 13 117.65 0.400 A 14 TYR CE2 C 13 117.72 0.400 A 14 TYR N N 15 117.97 0.400 A 15 ASP H H 1 8.51 0.025 A 15 ASP HA H 1 4.06 0.025 A 15 ASP HB2 H 1 2.57 0.025 A 15 ASP HB3 H 1 2.57 0.025 A 15 ASP CA C 13 58.18 0.400 A 15 ASP CB C 13 40.73 0.400 A 15 ASP N N 15 117.23 0.400 A 16 LYS H H 1 7.98 0.025 A 16 LYS HA H 1 3.97 0.025 A 16 LYS HB2 H 1 1.8 0.025 A 16 LYS HB3 H 1 1.65 0.025 A 16 LYS HG2 H 1 1.45 0.025 A 16 LYS HG3 H 1 1.53 0.025 A 16 LYS CA C 13 57.93 0.400 A 16 LYS CB C 13 31.3 0.400 A 16 LYS CG C 13 25.03 0.400 A 16 LYS N N 15 117.61 0.400 A 17 PHE H H 1 7.67 0.025 A 17 PHE HA H 1 3.91 0.025 A 17 PHE HB2 H 1 3.19 0.025 A 17 PHE HB3 H 1 3.05 0.025 A 17 PHE HD1 H 1 6.96 0.025 A 17 PHE HD2 H 1 6.96 0.025 A 17 PHE HE1 H 1 6.78 0.025 A 17 PHE HE2 H 1 6.78 0.025 A 17 PHE CA C 13 61.49 0.400 A 17 PHE CB C 13 40.37 0.400 A 17 PHE CD1 C 13 130.94 0.400 A 17 PHE CD2 C 13 130.94 0.400 A 17 PHE CE1 C 13 129.06 0.400 A 17 PHE CE2 C 13 129.06 0.400 A 17 PHE N N 15 119.27 0.400 A 18 MET H H 1 8.17 0.025 A 18 MET HA H 1 3.18 0.025 A 18 MET HB2 H 1 1.23 0.025 A 18 MET HB3 H 1 2.07 0.025 A 18 MET HE% H 1 1.43 0.025 A 18 MET HG2 H 1 1.55 0.025 A 18 MET HG3 H 1 2.18 0.025 A 18 MET CA C 13 60.02 0.400 A 18 MET CB C 13 34.52 0.400 A 18 MET CE C 13 16.73 0.400 A 18 MET CG C 13 32.62 0.400 A 18 MET N N 15 116.41 0.400 A 19 GLU H H 1 8.43 0.025 A 19 GLU HA H 1 3.73 0.025 A 19 GLU HB2 H 1 2.12 0.025 A 19 GLU HB3 H 1 1.77 0.025 A 19 GLU HG2 H 1 2.12 0.025 A 19 GLU HG3 H 1 1.97 0.025 A 19 GLU CA C 13 59.34 0.400 A 19 GLU CB C 13 29.32 0.400 A 19 GLU CG C 13 35.72 0.400 A 19 GLU N N 15 118.73 0.400 A 20 LYS H H 1 7.96 0.025 A 20 LYS HA H 1 4.02 0.025 A 20 LYS HB2 H 1 2.03 0.025 A 20 LYS HB3 H 1 1.85 0.025 A 20 LYS HD2 H 1 1.87 0.025 A 20 LYS HD3 H 1 1.58 0.025 A 20 LYS HE2 H 1 2.95 0.025 A 20 LYS HE3 H 1 3.11 0.025 A 20 LYS HG2 H 1 1.41 0.025 A 20 LYS HG3 H 1 1.61 0.025 A 20 LYS CA C 13 56.92 0.400 A 20 LYS CB C 13 31.51 0.400 A 20 LYS CD C 13 28.28 0.400 A 20 LYS CE C 13 41.97 0.400 A 20 LYS CG C 13 23.81 0.400 A 20 LYS N N 15 121.57 0.400 A 21 MET H H 1 7.43 0.025 A 21 MET HA H 1 3.59 0.025 A 21 MET HB2 H 1 1.74 0.025 A 21 MET HB3 H 1 1.48 0.025 A 21 MET HE% H 1 1.31 0.025 A 21 MET HG2 H 1 1.21 0.025 A 21 MET HG3 H 1 1.04 0.025 A 21 MET CA C 13 55.6 0.400 A 21 MET CB C 13 32.6 0.400 A 21 MET CE C 13 16.37 0.400 A 21 MET CG C 13 33.22 0.400 A 21 MET N N 15 113.1 0.400 A 22 GLY H H 1 7.64 0.025 A 22 GLY HA2 H 1 3.98 0.025 A 22 GLY HA3 H 1 3.58 0.025 A 22 GLY CA C 13 45.07 0.400 A 22 GLY N N 15 106.07 0.400 A 23 VAL H H 1 7.36 0.025 A 23 VAL HA H 1 3.6 0.025 A 23 VAL HB H 1 1.3 0.025 A 23 VAL HGx% H 1 0.79 0.025 A 23 VAL HGy% H 1 0.6 0.025 A 23 VAL CA C 13 62.18 0.400 A 23 VAL CB C 13 31.88 0.400 A 23 VAL CGy C 13 21.36 0.400 A 23 VAL CGx C 13 20.94 0.400 A 23 VAL N N 15 119.82 0.400 A 24 ASN H H 1 8.87 0.025 A 24 ASN HA H 1 4.32 0.025 A 24 ASN HB2 H 1 3.07 0.025 A 24 ASN HB3 H 1 2.52 0.025 A 24 ASN HD21 H 1 6.99 0.025 A 24 ASN HD22 H 1 7.74 0.025 A 24 ASN CA C 13 53.87 0.400 A 24 ASN CB C 13 39.54 0.400 A 24 ASN N N 15 126.54 0.400 A 24 ASN ND2 N 15 111.88 0.400 A 25 ILE H H 1 8.54 0.025 A 25 ILE HA H 1 3.64 0.025 A 25 ILE HB H 1 1.77 0.025 A 25 ILE HD1% H 1 0.82 0.025 A 25 ILE HG12 H 1 1.15 0.025 A 25 ILE HG13 H 1 1.38 0.025 A 25 ILE HG2% H 1 0.91 0.025 A 25 ILE CA C 13 64.57 0.400 A 25 ILE CB C 13 38.48 0.400 A 25 ILE CD1 C 13 13.53 0.400 A 25 ILE CG1 C 13 28.89 0.400 A 25 ILE CG2 C 13 16.73 0.400 A 25 ILE N N 15 121.16 0.400 A 26 VAL H H 1 7.52 0.025 A 26 VAL HA H 1 3.62 0.025 A 26 VAL HB H 1 2.02 0.025 A 26 VAL HGx% H 1 0.96 0.025 A 26 VAL HGy% H 1 0.87 0.025 A 26 VAL CA C 13 65.85 0.400 A 26 VAL CB C 13 31.49 0.400 A 26 VAL CGy C 13 22.02 0.400 A 26 VAL CGx C 13 20.63 0.400 A 26 VAL N N 15 119.56 0.400 A 27 LYS H H 1 7.61 0.025 A 27 LYS HA H 1 4.07 0.025 A 27 LYS HB2 H 1 1.76 0.025 A 27 LYS HB3 H 1 1.54 0.025 A 27 LYS HG2 H 1 1.47 0.025 A 27 LYS HG3 H 1 1.35 0.025 A 27 LYS CA C 13 58.18 0.400 A 27 LYS CB C 13 32.35 0.400 A 27 LYS CG C 13 26 0.400 A 27 LYS N N 15 117.1 0.400 A 28 ARG H H 1 8.49 0.025 A 28 ARG HA H 1 3.8 0.025 A 28 ARG HB2 H 1 1.67 0.025 A 28 ARG HB3 H 1 1.8 0.025 A 28 ARG HD2 H 1 3.02 0.025 A 28 ARG HD3 H 1 2.8 0.025 A 28 ARG HE H 1 7.24 0.025 A 28 ARG HG2 H 1 1.27 0.025 A 28 ARG HG3 H 1 1.67 0.025 A 28 ARG CA C 13 59.51 0.400 A 28 ARG CB C 13 30.54 0.400 A 28 ARG CD C 13 44.47 0.400 A 28 ARG CG C 13 27.74 0.400 A 28 ARG N N 15 117.29 0.400 A 28 ARG NE N 15 79.91 0.400 A 29 LYS H H 1 7.69 0.025 A 29 LYS HA H 1 3.99 0.025 A 29 LYS HB2 H 1 1.84 0.025 A 29 LYS HB3 H 1 1.84 0.025 A 29 LYS HD2 H 1 1.6 0.025 A 29 LYS HD3 H 1 1.6 0.025 A 29 LYS HG2 H 1 1.58 0.025 A 29 LYS HG3 H 1 1.38 0.025 A 29 LYS CA C 13 59.17 0.400 A 29 LYS CB C 13 31.87 0.400 A 29 LYS CD C 13 29.27 0.400 A 29 LYS CG C 13 25.13 0.400 A 29 LYS N N 15 117.32 0.400 A 30 LEU H H 1 7.15 0.025 A 30 LEU HA H 1 4.02 0.025 A 30 LEU HBy H 1 1.66 0.025 A 30 LEU HBx H 1 1.44 0.025 A 30 LEU HDx% H 1 0.74 0.025 A 30 LEU HDy% H 1 0.56 0.025 A 30 LEU HG H 1 1.36 0.025 A 30 LEU CA C 13 56.65 0.400 A 30 LEU CB C 13 41.92 0.400 A 30 LEU CDy C 13 24.1 0.400 A 30 LEU CDx C 13 23.27 0.400 A 30 LEU CG C 13 26.46 0.400 A 30 LEU N N 15 117.73 0.400 A 31 ALA H H 1 8.55 0.025 A 31 ALA HA H 1 4.11 0.025 A 31 ALA HB% H 1 1.54 0.025 A 31 ALA CA C 13 54.36 0.400 A 31 ALA CB C 13 19.58 0.400 A 31 ALA N N 15 119.06 0.400 A 32 ALA H H 1 7.31 0.025 A 32 ALA HA H 1 4.1 0.025 A 32 ALA HB% H 1 1.31 0.025 A 32 ALA CA C 13 53.06 0.400 A 32 ALA CB C 13 18.4 0.400 A 32 ALA N N 15 114.4 0.400 A 33 HIS H H 1 7.59 0.025 A 33 HIS HA H 1 4.94 0.025 A 33 HIS HB2 H 1 3.33 0.025 A 33 HIS HB3 H 1 2.9 0.025 A 33 HIS HD2 H 1 7.31 0.025 A 33 HIS HE1 H 1 8.49 0.025 A 33 HIS CA C 13 53.23 0.400 A 33 HIS CB C 13 28 0.400 A 33 HIS CD2 C 13 120.21 0.400 A 33 HIS CE1 C 13 136.01 0.400 A 33 HIS N N 15 115.59 0.400 A 34 ASP H H 1 7.21 0.025 A 34 ASP HA H 1 3.93 0.025 A 34 ASP HB2 H 1 2.92 0.025 A 34 ASP HB3 H 1 2.81 0.025 A 34 ASP CA C 13 54.27 0.400 A 34 ASP CB C 13 40.56 0.400 A 34 ASP N N 15 116.06 0.400 A 35 ASN H H 1 8.94 0.025 A 35 ASN HA H 1 4.18 0.025 A 35 ASN HB2 H 1 2.95 0.025 A 35 ASN HB3 H 1 2.68 0.025 A 35 ASN HD21 H 1 6.72 0.025 A 35 ASN HD22 H 1 7.39 0.025 A 35 ASN CA C 13 53.22 0.400 A 35 ASN CB C 13 37.19 0.400 A 35 ASN N N 15 116.63 0.400 A 35 ASN ND2 N 15 111.11 0.400 A 36 LEU H H 1 6.81 0.025 A 36 LEU HA H 1 4.28 0.025 A 36 LEU HBy H 1 1.77 0.025 A 36 LEU HBx H 1 1.61 0.025 A 36 LEU HDx% H 1 1.06 0.025 A 36 LEU HDy% H 1 1.08 0.025 A 36 LEU HG H 1 1.57 0.025 A 36 LEU CA C 13 56.76 0.400 A 36 LEU CB C 13 42.22 0.400 A 36 LEU CDx C 13 23.42 0.400 A 36 LEU CDy C 13 27.32 0.400 A 36 LEU CG C 13 27.48 0.400 A 36 LEU N N 15 117.17 0.400 A 37 LYS H H 1 9.4 0.025 A 37 LYS HA H 1 5.57 0.025 A 37 LYS HB2 H 1 1.74 0.025 A 37 LYS HB3 H 1 1.82 0.025 A 37 LYS HG2 H 1 1.34 0.025 A 37 LYS HG3 H 1 1.53 0.025 A 37 LYS CA C 13 54.51 0.400 A 37 LYS CB C 13 35.78 0.400 A 37 LYS CG C 13 25.03 0.400 A 37 LYS N N 15 126 0.400 A 38 LEU H H 1 9.29 0.025 A 38 LEU HA H 1 5.53 0.025 A 38 LEU HBx H 1 1.06 0.025 A 38 LEU HBy H 1 1.56 0.025 A 38 LEU HDx% H 1 0.85 0.025 A 38 LEU HDy% H 1 0.3 0.025 A 38 LEU HG H 1 1.46 0.025 A 38 LEU CA C 13 52.08 0.400 A 38 LEU CB C 13 46.18 0.400 A 38 LEU CDx C 13 23.94 0.400 A 38 LEU CDy C 13 25.63 0.400 A 38 LEU CG C 13 26.38 0.400 A 38 LEU N N 15 121.14 0.400 A 39 THR H H 1 9.12 0.025 A 39 THR HA H 1 5.21 0.025 A 39 THR HB H 1 3.99 0.025 A 39 THR HG2% H 1 1.09 0.025 A 39 THR CA C 13 62.31 0.400 A 39 THR CB C 13 69.74 0.400 A 39 THR CG2 C 13 21.27 0.400 A 39 THR N N 15 119.42 0.400 A 40 ILE H H 1 8.51 0.025 A 40 ILE HA H 1 4.85 0.025 A 40 ILE HB H 1 2.32 0.025 A 40 ILE HD1% H 1 0.54 0.025 A 40 ILE HG12 H 1 1.67 0.025 A 40 ILE HG13 H 1 0.9 0.025 A 40 ILE HG2% H 1 0.75 0.025 A 40 ILE CA C 13 60.87 0.400 A 40 ILE CB C 13 39.53 0.400 A 40 ILE CD1 C 13 11.57 0.400 A 40 ILE CG1 C 13 27.85 0.400 A 40 ILE CG2 C 13 16.67 0.400 A 40 ILE N N 15 127.45 0.400 A 41 THR H H 1 8.6 0.025 A 41 THR HA H 1 4.42 0.025 A 41 THR HB H 1 3.81 0.025 A 41 THR HG2% H 1 0.96 0.025 A 41 THR CA C 13 60.46 0.400 A 41 THR CB C 13 71.14 0.400 A 41 THR CG2 C 13 21.6 0.400 A 41 THR N N 15 119.15 0.400 A 42 GLN H H 1 9.1 0.025 A 42 GLN HA H 1 4.15 0.025 A 42 GLN HB2 H 1 0.93 0.025 A 42 GLN HB3 H 1 1.5 0.025 A 42 GLN HE21 H 1 7.55 0.025 A 42 GLN HE22 H 1 6.34 0.025 A 42 GLN HG2 H 1 1.61 0.025 A 42 GLN HG3 H 1 0.97 0.025 A 42 GLN CA C 13 54 0.400 A 42 GLN CB C 13 29.92 0.400 A 42 GLN CG C 13 32.37 0.400 A 42 GLN N N 15 125.71 0.400 A 42 GLN NE2 N 15 106.15 0.400 A 43 GLU H H 1 8.78 0.025 A 43 GLU HA H 1 4.31 0.025 A 43 GLU HB2 H 1 1.78 0.025 A 43 GLU HB3 H 1 1.63 0.025 A 43 GLU HG2 H 1 1.91 0.025 A 43 GLU HG3 H 1 1.94 0.025 A 43 GLU CA C 13 54.32 0.400 A 43 GLU CB C 13 30.85 0.400 A 43 GLU CG C 13 35.87 0.400 A 43 GLU N N 15 126.63 0.400 A 44 GLY H H 1 8.99 0.025 A 44 GLY HA2 H 1 3.84 0.025 A 44 GLY HA3 H 1 3.45 0.025 A 44 GLY CA C 13 47.09 0.400 A 44 GLY N N 15 116.1 0.400 A 45 ASN H H 1 8.74 0.025 A 45 ASN HA H 1 4.75 0.025 A 45 ASN HB2 H 1 3.06 0.025 A 45 ASN HB3 H 1 2.85 0.025 A 45 ASN HD21 H 1 6.91 0.025 A 45 ASN HD22 H 1 7.78 0.025 A 45 ASN CA C 13 52.67 0.400 A 45 ASN CB C 13 38.59 0.400 A 45 ASN N N 15 123.63 0.400 A 45 ASN ND2 N 15 110.85 0.400 A 46 LYS H H 1 7.84 0.025 A 46 LYS HA H 1 4.85 0.025 A 46 LYS HB2 H 1 1.77 0.025 A 46 LYS HB3 H 1 1.63 0.025 A 46 LYS HG2 H 1 1.02 0.025 A 46 LYS HG3 H 1 1.2 0.025 A 46 LYS CA C 13 54.96 0.400 A 46 LYS CB C 13 34.08 0.400 A 46 LYS CG C 13 24.85 0.400 A 46 LYS N N 15 119.03 0.400 A 47 PHE H H 1 9.12 0.025 A 47 PHE HA H 1 4.66 0.025 A 47 PHE HB2 H 1 1.46 0.025 A 47 PHE HB3 H 1 1.02 0.025 A 47 PHE HD1 H 1 6.52 0.025 A 47 PHE HD2 H 1 6.52 0.025 A 47 PHE CA C 13 55.93 0.400 A 47 PHE CB C 13 42.54 0.400 A 47 PHE CD1 C 13 130.27 0.400 A 47 PHE CD2 C 13 130.27 0.400 A 47 PHE N N 15 125 0.400 A 48 THR H H 1 8.33 0.025 A 48 THR HA H 1 4.73 0.025 A 48 THR HB H 1 3.77 0.025 A 48 THR HG2% H 1 0.93 0.025 A 48 THR CA C 13 61.7 0.400 A 48 THR CB C 13 69.69 0.400 A 48 THR CG2 C 13 20.59 0.400 A 48 THR N N 15 113.72 0.400 A 49 VAL H H 1 9.59 0.025 A 49 VAL HA H 1 4.68 0.025 A 49 VAL HB H 1 1.99 0.025 A 49 VAL HGx% H 1 0.79 0.025 A 49 VAL HGy% H 1 0.8 0.025 A 49 VAL CA C 13 60.93 0.400 A 49 VAL CB C 13 34.31 0.400 A 49 VAL CGx C 13 20.35 0.400 A 49 VAL CGy C 13 20.89 0.400 A 49 VAL N N 15 126.12 0.400 A 50 LYS H H 1 9.13 0.025 A 50 LYS HA H 1 4.86 0.025 A 50 LYS HB2 H 1 1.93 0.025 A 50 LYS HB3 H 1 1.74 0.025 A 50 LYS HG2 H 1 1.4 0.025 A 50 LYS HG3 H 1 1.25 0.025 A 50 LYS CA C 13 55.14 0.400 A 50 LYS CB C 13 32.41 0.400 A 50 LYS CG C 13 24.93 0.400 A 50 LYS N N 15 125.61 0.400 A 51 GLU H H 1 9.04 0.025 A 51 GLU HA H 1 4.89 0.025 A 51 GLU HB2 H 1 1.94 0.025 A 51 GLU HB3 H 1 2.04 0.025 A 51 GLU HG2 H 1 1.86 0.025 A 51 GLU HG3 H 1 2.26 0.025 A 51 GLU CA C 13 55.13 0.400 A 51 GLU CB C 13 31.68 0.400 A 51 GLU CG C 13 35.97 0.400 A 51 GLU N N 15 128.61 0.400 A 52 SER H H 1 8.98 0.025 A 52 SER HA H 1 5.48 0.025 A 52 SER HB2 H 1 3.86 0.025 A 52 SER HB3 H 1 3.79 0.025 A 52 SER CA C 13 56.04 0.400 A 52 SER CB C 13 64.85 0.400 A 52 SER N N 15 120.19 0.400 A 53 SER H H 1 9.11 0.025 A 53 SER HA H 1 4.93 0.025 A 53 SER HB2 H 1 4.27 0.025 A 53 SER HB3 H 1 4.09 0.025 A 53 SER CA C 13 56.57 0.400 A 53 SER CB C 13 68.03 0.400 A 53 SER N N 15 119.49 0.400 A 54 ALA H H 1 9.16 0.025 A 54 ALA HA H 1 4.01 0.025 A 54 ALA HB% H 1 1 0.025 A 54 ALA CA C 13 53.4 0.400 A 54 ALA CB C 13 18.67 0.400 A 54 ALA N N 15 117.94 0.400 A 55 PHE H H 1 8.09 0.025 A 55 PHE HA H 1 4.4 0.025 A 55 PHE HB2 H 1 3.2 0.025 A 55 PHE HB3 H 1 2.61 0.025 A 55 PHE HD1 H 1 7.2 0.025 A 55 PHE HD2 H 1 7.2 0.025 A 55 PHE HE1 H 1 7.25 0.025 A 55 PHE HE2 H 1 7.25 0.025 A 55 PHE HZ H 1 7.05 0.025 A 55 PHE CA C 13 59.28 0.400 A 55 PHE CB C 13 40.64 0.400 A 55 PHE CD1 C 13 131.41 0.400 A 55 PHE CD2 C 13 131.41 0.400 A 55 PHE CE1 C 13 130.7 0.400 A 55 PHE CZ C 13 128.75 0.400 A 55 PHE N N 15 109.93 0.400 A 56 ARG H H 1 7.41 0.025 A 56 ARG HA H 1 4.62 0.025 A 56 ARG HB2 H 1 2.16 0.025 A 56 ARG HB3 H 1 1.68 0.025 A 56 ARG HD2 H 1 2.88 0.025 A 56 ARG HD3 H 1 2.88 0.025 A 56 ARG HE H 1 6.56 0.025 A 56 ARG HG2 H 1 1.5 0.025 A 56 ARG HG3 H 1 1.17 0.025 A 56 ARG CA C 13 55.29 0.400 A 56 ARG CB C 13 30.11 0.400 A 56 ARG CD C 13 43.88 0.400 A 56 ARG CG C 13 24.22 0.400 A 56 ARG N N 15 110.65 0.400 A 56 ARG NE N 15 81.62 0.400 A 57 ASN H H 1 8.4 0.025 A 57 ASN HA H 1 5.88 0.025 A 57 ASN HB2 H 1 2.72 0.025 A 57 ASN HB3 H 1 2.72 0.025 A 57 ASN HD21 H 1 6.71 0.025 A 57 ASN HD22 H 1 7.32 0.025 A 57 ASN CA C 13 52.51 0.400 A 57 ASN CB C 13 40.59 0.400 A 57 ASN N N 15 116.56 0.400 A 57 ASN ND2 N 15 109.81 0.400 A 58 ILE H H 1 8.93 0.025 A 58 ILE HA H 1 4.84 0.025 A 58 ILE HB H 1 1.89 0.025 A 58 ILE HD1% H 1 0.77 0.025 A 58 ILE HG2% H 1 0.84 0.025 A 58 ILE CA C 13 59.42 0.400 A 58 ILE CB C 13 43.32 0.400 A 58 ILE CD1 C 13 13.67 0.400 A 58 ILE CG2 C 13 17.54 0.400 A 58 ILE N N 15 115.31 0.400 A 59 GLU H H 1 8.52 0.025 A 59 GLU HA H 1 5.27 0.025 A 59 GLU HB2 H 1 1.83 0.025 A 59 GLU HB3 H 1 1.83 0.025 A 59 GLU HG2 H 1 1.89 0.025 A 59 GLU HG3 H 1 1.97 0.025 A 59 GLU CA C 13 54.74 0.400 A 59 GLU CB C 13 32.49 0.400 A 59 GLU CG C 13 37.05 0.400 A 59 GLU N N 15 121.66 0.400 A 60 VAL H H 1 9.41 0.025 A 60 VAL HA H 1 4.38 0.025 A 60 VAL HB H 1 2.15 0.025 A 60 VAL HGx% H 1 1.13 0.025 A 60 VAL HGy% H 1 1.17 0.025 A 60 VAL CA C 13 60.91 0.400 A 60 VAL CB C 13 34.97 0.400 A 60 VAL CGy C 13 21.12 0.400 A 60 VAL CGx C 13 20.66 0.400 A 60 VAL N N 15 126.24 0.400 A 61 VAL H H 1 8.15 0.025 A 61 VAL HA H 1 5.08 0.025 A 61 VAL HB H 1 1.8 0.025 A 61 VAL HGx% H 1 0.87 0.025 A 61 VAL HGy% H 1 0.74 0.025 A 61 VAL CA C 13 59.63 0.400 A 61 VAL CB C 13 34.13 0.400 A 61 VAL CGy C 13 20.74 0.400 A 61 VAL CGx C 13 20.64 0.400 A 61 VAL N N 15 123.83 0.400 A 62 PHE H H 1 8.46 0.025 A 62 PHE HA H 1 4.81 0.025 A 62 PHE HB2 H 1 2.74 0.025 A 62 PHE HB3 H 1 1.46 0.025 A 62 PHE HD1 H 1 6.83 0.025 A 62 PHE HD2 H 1 6.83 0.025 A 62 PHE HE1 H 1 6.82 0.025 A 62 PHE HE2 H 1 6.82 0.025 A 62 PHE CA C 13 54.99 0.400 A 62 PHE CB C 13 41.03 0.400 A 62 PHE CD1 C 13 130.57 0.400 A 62 PHE CE2 C 13 128.76 0.400 A 62 PHE N N 15 120.29 0.400 A 63 GLU H H 1 9.55 0.025 A 63 GLU HA H 1 5.28 0.025 A 63 GLU HB2 H 1 1.9 0.025 A 63 GLU HB3 H 1 1.78 0.025 A 63 GLU HG2 H 1 2.16 0.025 A 63 GLU HG3 H 1 2.16 0.025 A 63 GLU CA C 13 52.97 0.400 A 63 GLU CB C 13 32.21 0.400 A 63 GLU CG C 13 36.17 0.400 A 63 GLU N N 15 118.73 0.400 A 64 LEU H H 1 8.82 0.025 A 64 LEU HA H 1 4.44 0.025 A 64 LEU HBy H 1 1.94 0.025 A 64 LEU HBx H 1 1.67 0.025 A 64 LEU HDx% H 1 0.65 0.025 A 64 LEU HDy% H 1 0.65 0.025 A 64 LEU HG H 1 1.1 0.025 A 64 LEU CA C 13 56.01 0.400 A 64 LEU CB C 13 41.01 0.400 A 64 LEU CDx C 13 22.63 0.400 A 64 LEU CDy C 13 22.63 0.400 A 64 LEU CG C 13 26.4 0.400 A 64 LEU N N 15 123.33 0.400 A 65 GLY H H 1 9.29 0.025 A 65 GLY HA2 H 1 4.22 0.025 A 65 GLY HA3 H 1 3.59 0.025 A 65 GLY CA C 13 45.72 0.400 A 65 GLY N N 15 107.11 0.400 A 66 VAL H H 1 7.93 0.025 A 66 VAL HA H 1 4.31 0.025 A 66 VAL HB H 1 2.32 0.025 A 66 VAL HGx% H 1 1.06 0.025 A 66 VAL HGy% H 1 0.84 0.025 A 66 VAL CA C 13 61.88 0.400 A 66 VAL CB C 13 32.49 0.400 A 66 VAL CGy C 13 20.9 0.400 A 66 VAL CGx C 13 20.74 0.400 A 66 VAL N N 15 120.77 0.400 A 67 THR H H 1 8.74 0.025 A 67 THR HA H 1 4.26 0.025 A 67 THR HB H 1 3.83 0.025 A 67 THR HG2% H 1 1.04 0.025 A 67 THR CA C 13 63.8 0.400 A 67 THR CB C 13 68.54 0.400 A 67 THR CG2 C 13 22.23 0.400 A 67 THR N N 15 128.11 0.400 A 68 PHE H H 1 9.51 0.025 A 68 PHE HA H 1 5.06 0.025 A 68 PHE HB2 H 1 3.33 0.025 A 68 PHE HB3 H 1 3.44 0.025 A 68 PHE HD1 H 1 7.58 0.025 A 68 PHE HD2 H 1 7.58 0.025 A 68 PHE HE1 H 1 6.96 0.025 A 68 PHE HE2 H 1 6.96 0.025 A 68 PHE CA C 13 55.5 0.400 A 68 PHE CB C 13 41.7 0.400 A 68 PHE CD1 C 13 133.5 0.400 A 68 PHE CD2 C 13 133.49 0.400 A 68 PHE CE1 C 13 129.84 0.400 A 68 PHE CE2 C 13 129.84 0.400 A 68 PHE N N 15 124.07 0.400 A 69 ASN H H 1 8.38 0.025 A 69 ASN HA H 1 5.59 0.025 A 69 ASN HB2 H 1 2.7 0.025 A 69 ASN HB3 H 1 2.7 0.025 A 69 ASN HD21 H 1 6.85 0.025 A 69 ASN HD22 H 1 7.54 0.025 A 69 ASN CA C 13 51.21 0.400 A 69 ASN CB C 13 40.31 0.400 A 69 ASN N N 15 114.95 0.400 A 69 ASN ND2 N 15 111.82 0.400 A 70 TYR H H 1 8.84 0.025 A 70 TYR HA H 1 4.58 0.025 A 70 TYR HB2 H 1 3.03 0.025 A 70 TYR HB3 H 1 2.01 0.025 A 70 TYR HD1 H 1 6.75 0.025 A 70 TYR HD2 H 1 6.75 0.025 A 70 TYR HE1 H 1 6.49 0.025 A 70 TYR HE2 H 1 6.49 0.025 A 70 TYR CA C 13 57.05 0.400 A 70 TYR CB C 13 42.92 0.400 A 70 TYR CD1 C 13 132.88 0.400 A 70 TYR CD2 C 13 132.88 0.400 A 70 TYR CE1 C 13 117.95 0.400 A 70 TYR CE2 C 13 117.95 0.400 A 70 TYR N N 15 121.35 0.400 A 71 ASN H H 1 7.7 0.025 A 71 ASN HA H 1 5.3 0.025 A 71 ASN HB2 H 1 2.1 0.025 A 71 ASN HB3 H 1 2.18 0.025 A 71 ASN HD21 H 1 6.82 0.025 A 71 ASN HD22 H 1 6.94 0.025 A 71 ASN CA C 13 50.69 0.400 A 71 ASN CB C 13 39.71 0.400 A 71 ASN N N 15 122.38 0.400 A 71 ASN ND2 N 15 109.13 0.400 A 72 LEU H H 1 8.94 0.025 A 72 LEU HA H 1 3.92 0.025 A 72 LEU HBx H 1 1.32 0.025 A 72 LEU HBy H 1 2.01 0.025 A 72 LEU HDx% H 1 0.58 0.025 A 72 LEU HDy% H 1 0.78 0.025 A 72 LEU HG H 1 1.55 0.025 A 72 LEU CA C 13 53.87 0.400 A 72 LEU CB C 13 42.43 0.400 A 72 LEU CDy C 13 24.66 0.400 A 72 LEU CDx C 13 23.74 0.400 A 72 LEU CG C 13 27.08 0.400 A 72 LEU N N 15 119.67 0.400 A 73 ALA H H 1 8.99 0.025 A 73 ALA HA H 1 3.65 0.025 A 73 ALA HB% H 1 0.75 0.025 A 73 ALA CA C 13 53.88 0.400 A 73 ALA CB C 13 17.18 0.400 A 73 ALA N N 15 119.96 0.400 A 74 ASP H H 1 7.02 0.025 A 74 ASP HA H 1 4.26 0.025 A 74 ASP HB2 H 1 2.89 0.025 A 74 ASP HB3 H 1 1.91 0.025 A 74 ASP CA C 13 52.38 0.400 A 74 ASP CB C 13 39.78 0.400 A 74 ASP N N 15 111.54 0.400 A 75 GLY H H 1 7.84 0.025 A 75 GLY HA2 H 1 4.24 0.025 A 75 GLY HA3 H 1 3.37 0.025 A 75 GLY CA C 13 44.45 0.400 A 75 GLY N N 15 107 0.400 A 76 THR H H 1 7.68 0.025 A 76 THR HA H 1 3.65 0.025 A 76 THR HB H 1 3.78 0.025 A 76 THR HG2% H 1 0.89 0.025 A 76 THR CA C 13 64.55 0.400 A 76 THR CB C 13 67.61 0.400 A 76 THR CG2 C 13 20.46 0.400 A 76 THR N N 15 117.96 0.400 A 77 GLU H H 1 8.64 0.025 A 77 GLU HA H 1 4.56 0.025 A 77 GLU HB2 H 1 1.8 0.025 A 77 GLU HB3 H 1 2.07 0.025 A 77 GLU HG2 H 1 1.99 0.025 A 77 GLU HG3 H 1 2.06 0.025 A 77 GLU CA C 13 56.57 0.400 A 77 GLU CB C 13 31.15 0.400 A 77 GLU CG C 13 36.89 0.400 A 77 GLU N N 15 128 0.400 A 78 LEU H H 1 9.22 0.025 A 78 LEU HA H 1 5.25 0.025 A 78 LEU HBy H 1 1.67 0.025 A 78 LEU HBx H 1 1.19 0.025 A 78 LEU HDx% H 1 0.57 0.025 A 78 LEU HDy% H 1 0.45 0.025 A 78 LEU HG H 1 1.49 0.025 A 78 LEU CA C 13 52.49 0.400 A 78 LEU CB C 13 46.07 0.400 A 78 LEU CDx C 13 24.24 0.400 A 78 LEU CDy C 13 26.95 0.400 A 78 LEU CG C 13 27.16 0.400 A 78 LEU N N 15 123.76 0.400 A 79 ARG H H 1 8.41 0.025 A 79 ARG HA H 1 5.32 0.025 A 79 ARG HB2 H 1 1.46 0.025 A 79 ARG HB3 H 1 1.46 0.025 A 79 ARG HD2 H 1 2.97 0.025 A 79 ARG HD3 H 1 3.08 0.025 A 79 ARG HE H 1 7.15 0.025 A 79 ARG HG2 H 1 1.43 0.025 A 79 ARG HG3 H 1 1.17 0.025 A 79 ARG CA C 13 54.12 0.400 A 79 ARG CB C 13 33.52 0.400 A 79 ARG CD C 13 43.33 0.400 A 79 ARG CG C 13 27.46 0.400 A 79 ARG N N 15 117.19 0.400 A 79 ARG NE N 15 83.93 0.400 A 80 GLY H H 1 8.82 0.025 A 80 GLY HA2 H 1 4.04 0.025 A 80 GLY HA3 H 1 3.76 0.025 A 80 GLY CA C 13 46.62 0.400 A 80 GLY N N 15 113.35 0.400 A 81 THR H H 1 6.71 0.025 A 81 THR HA H 1 4.51 0.025 A 81 THR HB H 1 3.65 0.025 A 81 THR HG2% H 1 0.81 0.025 A 81 THR CA C 13 58.69 0.400 A 81 THR CB C 13 72.56 0.400 A 81 THR CG2 C 13 21.42 0.400 A 81 THR N N 15 104.25 0.400 A 82 TRP H H 1 9.08 0.025 A 82 TRP HA H 1 5.27 0.025 A 82 TRP HB2 H 1 2.4 0.025 A 82 TRP HB3 H 1 2.4 0.025 A 82 TRP HD1 H 1 6.8 0.025 A 82 TRP HE1 H 1 10.04 0.025 A 82 TRP HE3 H 1 6.96 0.025 A 82 TRP HH2 H 1 6.47 0.025 A 82 TRP HZ2 H 1 6.68 0.025 A 82 TRP HZ3 H 1 6.64 0.025 A 82 TRP CA C 13 55.49 0.400 A 82 TRP CB C 13 33.88 0.400 A 82 TRP CD1 C 13 128.59 0.400 A 82 TRP CE3 C 13 120.65 0.400 A 82 TRP CH2 C 13 122.36 0.400 A 82 TRP CZ2 C 13 113.32 0.400 A 82 TRP CZ3 C 13 120.76 0.400 A 82 TRP N N 15 118.87 0.400 A 82 TRP NE1 N 15 128.68 0.400 A 83 SER H H 1 9.01 0.025 A 83 SER HA H 1 4.7 0.025 A 83 SER HB2 H 1 3.79 0.025 A 83 SER HB3 H 1 3.65 0.025 A 83 SER CA C 13 57.22 0.400 A 83 SER CB C 13 65.42 0.400 A 83 SER N N 15 113.7 0.400 A 84 LEU H H 1 8.9 0.025 A 84 LEU HA H 1 5.12 0.025 A 84 LEU HBy H 1 1.8 0.025 A 84 LEU HBx H 1 1.28 0.025 A 84 LEU HDx% H 1 0.8 0.025 A 84 LEU HDy% H 1 0.88 0.025 A 84 LEU CA C 13 54.09 0.400 A 84 LEU CB C 13 44.69 0.400 A 84 LEU CDx C 13 23.89 0.400 A 84 LEU CDy C 13 25.62 0.400 A 84 LEU N N 15 124.08 0.400 A 85 GLU H H 1 8.92 0.025 A 85 GLU HA H 1 4.54 0.025 A 85 GLU HB2 H 1 1.9 0.025 A 85 GLU HB3 H 1 1.76 0.025 A 85 GLU HG2 H 1 2.07 0.025 A 85 GLU HG3 H 1 2.07 0.025 A 85 GLU CA C 13 54.77 0.400 A 85 GLU CB C 13 30.93 0.400 A 85 GLU CG C 13 35.51 0.400 A 85 GLU N N 15 126.19 0.400 A 86 GLY H H 1 9.01 0.025 A 86 GLY HA2 H 1 3.9 0.025 A 86 GLY HA3 H 1 3.6 0.025 A 86 GLY CA C 13 47.38 0.400 A 86 GLY N N 15 115.8 0.400 A 87 ASN H H 1 8.71 0.025 A 87 ASN HA H 1 4.76 0.025 A 87 ASN HB2 H 1 2.89 0.025 A 87 ASN HB3 H 1 2.79 0.025 A 87 ASN HD21 H 1 6.85 0.025 A 87 ASN HD22 H 1 7.51 0.025 A 87 ASN CA C 13 52.42 0.400 A 87 ASN CB C 13 38.53 0.400 A 87 ASN N N 15 121.24 0.400 A 87 ASN ND2 N 15 110.75 0.400 A 88 LYS H H 1 7.95 0.025 A 88 LYS HA H 1 4.92 0.025 A 88 LYS HB2 H 1 1.62 0.025 A 88 LYS HB3 H 1 1.85 0.025 A 88 LYS CA C 13 55.18 0.400 A 88 LYS CB C 13 35.58 0.400 A 88 LYS N N 15 116.79 0.400 A 89 LEU H H 1 8.42 0.025 A 89 LEU HA H 1 4.92 0.025 A 89 LEU HBy H 1 0.97 0.025 A 89 LEU HBx H 1 0.72 0.025 A 89 LEU HDx% H 1 -0.65 0.025 A 89 LEU HDy% H 1 -0.32 0.025 A 89 LEU HG H 1 0.82 0.025 A 89 LEU CA C 13 52.93 0.400 A 89 LEU CB C 13 43.69 0.400 A 89 LEU CDy C 13 23.41 0.400 A 89 LEU CDx C 13 23.35 0.400 A 89 LEU CG C 13 26.54 0.400 A 89 LEU N N 15 121.45 0.400 A 90 ILE H H 1 9.56 0.025 A 90 ILE HA H 1 4.59 0.025 A 90 ILE HB H 1 1.92 0.025 A 90 ILE HD1% H 1 0.76 0.025 A 90 ILE HG12 H 1 1.32 0.025 A 90 ILE HG13 H 1 1.39 0.025 A 90 ILE HG2% H 1 0.78 0.025 A 90 ILE CA C 13 59.41 0.400 A 90 ILE CB C 13 38.11 0.400 A 90 ILE CD1 C 13 11.85 0.400 A 90 ILE CG1 C 13 26.84 0.400 A 90 ILE CG2 C 13 17.45 0.400 A 90 ILE N N 15 123.3 0.400 A 91 GLY H H 1 9.74 0.025 A 91 GLY HA2 H 1 4.63 0.025 A 91 GLY HA3 H 1 2.22 0.025 A 91 GLY CA C 13 44.47 0.400 A 91 GLY N N 15 120.12 0.400 A 92 LYS H H 1 7.72 0.025 A 92 LYS HA H 1 4.68 0.025 A 92 LYS HB2 H 1 1.44 0.025 A 92 LYS HB3 H 1 1.33 0.025 A 92 LYS HG2 H 1 1.08 0.025 A 92 LYS HG3 H 1 1.14 0.025 A 92 LYS CA C 13 55.06 0.400 A 92 LYS CB C 13 33.35 0.400 A 92 LYS CG C 13 23.89 0.400 A 92 LYS N N 15 126.12 0.400 A 93 PHE H H 1 8.29 0.025 A 93 PHE HA H 1 4.99 0.025 A 93 PHE HB2 H 1 2.87 0.025 A 93 PHE HB3 H 1 2.55 0.025 A 93 PHE HD1 H 1 6.22 0.025 A 93 PHE HD2 H 1 6.22 0.025 A 93 PHE CA C 13 55.45 0.400 A 93 PHE CB C 13 43.65 0.400 A 93 PHE CD1 C 13 130 0.400 A 93 PHE CD2 C 13 130 0.400 A 93 PHE CE2 C 13 129.9 0.400 A 93 PHE N N 15 120.95 0.400 A 94 LYS H H 1 8.77 0.025 A 94 LYS HA H 1 4.98 0.025 A 94 LYS HB2 H 1 1.51 0.025 A 94 LYS HB3 H 1 1.51 0.025 A 94 LYS HG2 H 1 1.2 0.025 A 94 LYS HG3 H 1 1.25 0.025 A 94 LYS CA C 13 54.66 0.400 A 94 LYS CB C 13 36.03 0.400 A 94 LYS CD C 13 29.19 0.400 A 94 LYS CG C 13 25.03 0.400 A 94 LYS N N 15 118.49 0.400 A 95 ARG H H 1 8.66 0.025 A 95 ARG HA H 1 4.71 0.025 A 95 ARG HB2 H 1 2.03 0.025 A 95 ARG HB3 H 1 2.5 0.025 A 95 ARG HD2 H 1 3.56 0.025 A 95 ARG HD3 H 1 2.78 0.025 A 95 ARG HE H 1 9.01 0.025 A 95 ARG HG2 H 1 1.21 0.025 A 95 ARG HG3 H 1 1.68 0.025 A 95 ARG CA C 13 55.87 0.400 A 95 ARG CB C 13 31.26 0.400 A 95 ARG CD C 13 44.33 0.400 A 95 ARG CG C 13 28.1 0.400 A 95 ARG N N 15 121.24 0.400 A 95 ARG NE N 15 85.01 0.400 A 96 THR H H 1 8.43 0.025 A 96 THR HA H 1 4 0.025 A 96 THR HB H 1 4.22 0.025 A 96 THR HG2% H 1 1.05 0.025 A 96 THR CA C 13 63.56 0.400 A 96 THR CB C 13 67.77 0.400 A 96 THR CG2 C 13 22.14 0.400 A 96 THR N N 15 115.94 0.400 A 97 ASP H H 1 9 0.025 A 97 ASP HA H 1 4.23 0.025 A 97 ASP HB2 H 1 2.78 0.025 A 97 ASP HB3 H 1 2.66 0.025 A 97 ASP CA C 13 55.52 0.400 A 97 ASP CB C 13 38.36 0.400 A 97 ASP N N 15 119.67 0.400 A 98 ASN H H 1 8.58 0.025 A 98 ASN HA H 1 4.68 0.025 A 98 ASN HB2 H 1 3.03 0.025 A 98 ASN HB3 H 1 2.53 0.025 A 98 ASN HD21 H 1 5.47 0.025 A 98 ASN HD22 H 1 7.54 0.025 A 98 ASN CA C 13 51.22 0.400 A 98 ASN CB C 13 38.98 0.400 A 98 ASN N N 15 114.99 0.400 A 98 ASN ND2 N 15 104.94 0.400 A 99 GLY H H 1 7.73 0.025 A 99 GLY HA2 H 1 4.06 0.025 A 99 GLY HA3 H 1 3.81 0.025 A 99 GLY CA C 13 45.88 0.400 A 99 GLY N N 15 106.8 0.400 A 100 ASN H H 1 8.38 0.025 A 100 ASN HA H 1 4.63 0.025 A 100 ASN HB2 H 1 2.98 0.025 A 100 ASN HB3 H 1 2.58 0.025 A 100 ASN HD21 H 1 6.69 0.025 A 100 ASN HD22 H 1 6.49 0.025 A 100 ASN CA C 13 52.45 0.400 A 100 ASN CB C 13 38.95 0.400 A 100 ASN N N 15 117.65 0.400 A 100 ASN ND2 N 15 106.1 0.400 A 101 GLU H H 1 8.65 0.025 A 101 GLU HA H 1 4.69 0.025 A 101 GLU HB2 H 1 1.96 0.025 A 101 GLU HB3 H 1 1.96 0.025 A 101 GLU HG2 H 1 2.33 0.025 A 101 GLU HG3 H 1 2.16 0.025 A 101 GLU CA C 13 56.42 0.400 A 101 GLU CB C 13 31.47 0.400 A 101 GLU CG C 13 36.83 0.400 A 101 GLU N N 15 118.04 0.400 A 102 LEU H H 1 8.88 0.025 A 102 LEU HA H 1 5.08 0.025 A 102 LEU HBx H 1 1.4 0.025 A 102 LEU HBy H 1 1.58 0.025 A 102 LEU HDx% H 1 0.86 0.025 A 102 LEU HDy% H 1 0.73 0.025 A 102 LEU HG H 1 1.77 0.025 A 102 LEU CA C 13 54.98 0.400 A 102 LEU CB C 13 45.41 0.400 A 102 LEU CDy C 13 26.57 0.400 A 102 LEU CDx C 13 25.03 0.400 A 102 LEU CG C 13 28.76 0.400 A 102 LEU N N 15 123.95 0.400 A 103 ASN H H 1 8.44 0.025 A 103 ASN HA H 1 5.58 0.025 A 103 ASN HB2 H 1 2.81 0.025 A 103 ASN HB3 H 1 2.48 0.025 A 103 ASN HD21 H 1 7.33 0.025 A 103 ASN HD22 H 1 7.48 0.025 A 103 ASN CA C 13 51.68 0.400 A 103 ASN CB C 13 41.72 0.400 A 103 ASN N N 15 121.95 0.400 A 103 ASN ND2 N 15 111.96 0.400 A 104 THR H H 1 8.99 0.025 A 104 THR HA H 1 5.56 0.025 A 104 THR HB H 1 3.98 0.025 A 104 THR HG2% H 1 0.69 0.025 A 104 THR CA C 13 57.86 0.400 A 104 THR CB C 13 69.97 0.400 A 104 THR CG2 C 13 19.56 0.400 A 104 THR N N 15 115.34 0.400 A 105 VAL H H 1 8.08 0.025 A 105 VAL HA H 1 5.34 0.025 A 105 VAL HB H 1 1.92 0.025 A 105 VAL HGx% H 1 0.92 0.025 A 105 VAL HGy% H 1 0.89 0.025 A 105 VAL CA C 13 60.35 0.400 A 105 VAL CB C 13 36.33 0.400 A 105 VAL CGy C 13 21.6 0.400 A 105 VAL CGx C 13 21.48 0.400 A 105 VAL N N 15 125.55 0.400 A 106 ARG H H 1 9.42 0.025 A 106 ARG HA H 1 5.01 0.025 A 106 ARG HB2 H 1 1.17 0.025 A 106 ARG HB3 H 1 1.17 0.025 A 106 ARG HD2 H 1 1.83 0.025 A 106 ARG HD3 H 1 1.6 0.025 A 106 ARG HE H 1 5.83 0.025 A 106 ARG HG2 H 1 0.92 0.025 A 106 ARG HG3 H 1 1.34 0.025 A 106 ARG CA C 13 54.55 0.400 A 106 ARG CB C 13 34.02 0.400 A 106 ARG CD C 13 41.95 0.400 A 106 ARG CG C 13 28.29 0.400 A 106 ARG N N 15 123.07 0.400 A 106 ARG NE N 15 78.3 0.400 A 107 GLU H H 1 8.53 0.025 A 107 GLU HA H 1 4.85 0.025 A 107 GLU HB2 H 1 1.8 0.025 A 107 GLU HB3 H 1 1.77 0.025 A 107 GLU HG2 H 1 1.97 0.025 A 107 GLU HG3 H 1 2.07 0.025 A 107 GLU CA C 13 54.07 0.400 A 107 GLU CB C 13 33.99 0.400 A 107 GLU CG C 13 35.21 0.400 A 107 GLU N N 15 118.99 0.400 A 108 ILE H H 1 8.79 0.025 A 108 ILE HA H 1 4.74 0.025 A 108 ILE HB H 1 1.61 0.025 A 108 ILE HD1% H 1 0.27 0.025 A 108 ILE HG12 H 1 0.67 0.025 A 108 ILE HG13 H 1 0.88 0.025 A 108 ILE HG2% H 1 0.65 0.025 A 108 ILE CA C 13 58.55 0.400 A 108 ILE CB C 13 36.08 0.400 A 108 ILE CD1 C 13 11.8 0.400 A 108 ILE CG1 C 13 26.5 0.400 A 108 ILE CG2 C 13 16.73 0.400 A 108 ILE N N 15 122.85 0.400 A 109 ILE H H 1 8.83 0.025 A 109 ILE HA H 1 4.17 0.025 A 109 ILE HB H 1 1.64 0.025 A 109 ILE HD1% H 1 0.68 0.025 A 109 ILE HG12 H 1 0.91 0.025 A 109 ILE HG13 H 1 1.28 0.025 A 109 ILE HG2% H 1 0.74 0.025 A 109 ILE CA C 13 60.39 0.400 A 109 ILE CB C 13 38.78 0.400 A 109 ILE CD1 C 13 12.29 0.400 A 109 ILE CG1 C 13 26.75 0.400 A 109 ILE CG2 C 13 16.61 0.400 A 109 ILE N N 15 128.17 0.400 A 110 GLY H H 1 9.07 0.025 A 110 GLY HA2 H 1 3.92 0.025 A 110 GLY HA3 H 1 3.59 0.025 A 110 GLY CA C 13 47.16 0.400 A 110 GLY N N 15 117.99 0.400 A 111 ASP H H 1 8.68 0.025 A 111 ASP HA H 1 4.69 0.025 A 111 ASP HB2 H 1 2.83 0.025 A 111 ASP HB3 H 1 2.72 0.025 A 111 ASP CA C 13 53.83 0.400 A 111 ASP CB C 13 41.2 0.400 A 111 ASP N N 15 122.42 0.400 A 112 GLU H H 1 7.88 0.025 A 112 GLU HA H 1 5.06 0.025 A 112 GLU HB2 H 1 1.92 0.025 A 112 GLU HB3 H 1 1.97 0.025 A 112 GLU HG2 H 1 2.43 0.025 A 112 GLU HG3 H 1 2.16 0.025 A 112 GLU CA C 13 54.96 0.400 A 112 GLU CB C 13 32.75 0.400 A 112 GLU CG C 13 36.95 0.400 A 112 GLU N N 15 116.94 0.400 A 113 LEU H H 1 7.82 0.025 A 113 LEU HA H 1 4.3 0.025 A 113 LEU HBy H 1 0.6 0.025 A 113 LEU HBx H 1 -0.93 0.025 A 113 LEU HDx% H 1 -0.01 0.025 A 113 LEU HDy% H 1 -0.57 0.025 A 113 LEU HG H 1 0.71 0.025 A 113 LEU CA C 13 53.74 0.400 A 113 LEU CB C 13 41.55 0.400 A 113 LEU CDx C 13 23.93 0.400 A 113 LEU CDy C 13 23.98 0.400 A 113 LEU CG C 13 26.6 0.400 A 113 LEU N N 15 122.22 0.400 A 114 VAL H H 1 9.26 0.025 A 114 VAL HA H 1 4.44 0.025 A 114 VAL HB H 1 1.93 0.025 A 114 VAL HGx% H 1 0.88 0.025 A 114 VAL HGy% H 1 0.74 0.025 A 114 VAL CA C 13 61.63 0.400 A 114 VAL CB C 13 32.88 0.400 A 114 VAL CGy C 13 21.01 0.400 A 114 VAL CGx C 13 20.43 0.400 A 114 VAL N N 15 126.87 0.400 A 115 GLN H H 1 9.33 0.025 A 115 GLN HA H 1 5.71 0.025 A 115 GLN HB2 H 1 1.91 0.025 A 115 GLN HB3 H 1 1.6 0.025 A 115 GLN HE21 H 1 6.76 0.025 A 115 GLN HE22 H 1 7.57 0.025 A 115 GLN HG2 H 1 2.18 0.025 A 115 GLN HG3 H 1 1.57 0.025 A 115 GLN CA C 13 52.88 0.400 A 115 GLN CB C 13 29.35 0.400 A 115 GLN CG C 13 33.51 0.400 A 115 GLN N N 15 128.73 0.400 A 115 GLN NE2 N 15 107.02 0.400 A 116 THR H H 1 8.73 0.025 A 116 THR HA H 1 4.86 0.025 A 116 THR HB H 1 3.83 0.025 A 116 THR HG2% H 1 1.09 0.025 A 116 THR CA C 13 60.64 0.400 A 116 THR CB C 13 69.9 0.400 A 116 THR CG2 C 13 21.47 0.400 A 116 THR N N 15 119.28 0.400 A 117 TYR H H 1 9.34 0.025 A 117 TYR HA H 1 5.13 0.025 A 117 TYR HB2 H 1 2.45 0.025 A 117 TYR HB3 H 1 1.77 0.025 A 117 TYR HD1 H 1 6.32 0.025 A 117 TYR HD2 H 1 6.32 0.025 A 117 TYR HE1 H 1 6.31 0.025 A 117 TYR HE2 H 1 6.31 0.025 A 117 TYR CA C 13 54.28 0.400 A 117 TYR CB C 13 42.42 0.400 A 117 TYR CD1 C 13 131.93 0.400 A 117 TYR CD2 C 13 131.93 0.400 A 117 TYR CE1 C 13 117.4 0.400 A 117 TYR CE2 C 13 117.42 0.400 A 117 TYR N N 15 125.08 0.400 A 118 VAL H H 1 9.11 0.025 A 118 VAL HA H 1 5.27 0.025 A 118 VAL HB H 1 1.98 0.025 A 118 VAL HGx% H 1 0.85 0.025 A 118 VAL HGy% H 1 0.79 0.025 A 118 VAL CA C 13 61.6 0.400 A 118 VAL CB C 13 34.52 0.400 A 118 VAL CGy C 13 20.88 0.400 A 118 VAL CGx C 13 20.4 0.400 A 118 VAL N N 15 118.87 0.400 A 119 TYR H H 1 9 0.025 A 119 TYR HA H 1 4.82 0.025 A 119 TYR HB2 H 1 2.98 0.025 A 119 TYR HB3 H 1 2.49 0.025 A 119 TYR HD1 H 1 6.84 0.025 A 119 TYR HD2 H 1 6.84 0.025 A 119 TYR HE1 H 1 6.46 0.025 A 119 TYR HE2 H 1 6.46 0.025 A 119 TYR CA C 13 57.64 0.400 A 119 TYR CB C 13 43.29 0.400 A 119 TYR CD1 C 13 133.31 0.400 A 119 TYR CD2 C 13 133.31 0.400 A 119 TYR CE1 C 13 117.92 0.400 A 119 TYR CE2 C 13 117.92 0.400 A 119 TYR N N 15 126.23 0.400 A 120 GLU H H 1 9.49 0.025 A 120 GLU HA H 1 3.33 0.025 A 120 GLU HB3 H 1 1.83 0.025 A 120 GLU HG2 H 1 1.35 0.025 A 120 GLU HG3 H 1 0.72 0.025 A 120 GLU CA C 13 55.59 0.400 A 120 GLU CB C 13 28.43 0.400 A 120 GLU CG C 13 34.88 0.400 A 120 GLU N N 15 124.3 0.400 A 121 GLY H H 1 8.32 0.025 A 121 GLY HA2 H 1 4.01 0.025 A 121 GLY HA3 H 1 3.47 0.025 A 121 GLY CA C 13 45.06 0.400 A 121 GLY N N 15 100.55 0.400 A 122 VAL H H 1 8.28 0.025 A 122 VAL HA H 1 4.13 0.025 A 122 VAL HB H 1 2.3 0.025 A 122 VAL HGx% H 1 0.91 0.025 A 122 VAL HGy% H 1 0.91 0.025 A 122 VAL CA C 13 62.2 0.400 A 122 VAL CB C 13 32.49 0.400 A 122 VAL CGx C 13 21.47 0.400 A 122 VAL CGy C 13 21.47 0.400 A 122 VAL N N 15 122.02 0.400 A 123 GLU H H 1 8.58 0.025 A 123 GLU HA H 1 5.67 0.025 A 123 GLU HB2 H 1 1.95 0.025 A 123 GLU HB3 H 1 1.89 0.025 A 123 GLU HG2 H 1 2.15 0.025 A 123 GLU HG3 H 1 1.99 0.025 A 123 GLU CA C 13 53.57 0.400 A 123 GLU CB C 13 32.6 0.400 A 123 GLU CG C 13 36.76 0.400 A 123 GLU N N 15 125.55 0.400 A 124 ALA H H 1 9.17 0.025 A 124 ALA HA H 1 5.03 0.025 A 124 ALA HB% H 1 1.29 0.025 A 124 ALA CA C 13 50.15 0.400 A 124 ALA CB C 13 23.57 0.400 A 124 ALA N N 15 124.61 0.400 A 125 LYS H H 1 8.55 0.025 A 125 LYS HA H 1 5.4 0.025 A 125 LYS HB2 H 1 1.37 0.025 A 125 LYS HB3 H 1 1.45 0.025 A 125 LYS HG2 H 1 1.34 0.025 A 125 LYS HG3 H 1 1.2 0.025 A 125 LYS CA C 13 54.35 0.400 A 125 LYS CB C 13 37.64 0.400 A 125 LYS CG C 13 24.79 0.400 A 125 LYS N N 15 114.18 0.400 A 126 ARG H H 1 9.05 0.025 A 126 ARG HA H 1 4.68 0.025 A 126 ARG HB2 H 1 1.33 0.025 A 126 ARG HB3 H 1 1.44 0.025 A 126 ARG HD2 H 1 2.37 0.025 A 126 ARG HE H 1 6.05 0.025 A 126 ARG HG2 H 1 1.41 0.025 A 126 ARG HG3 H 1 1.33 0.025 A 126 ARG CA C 13 56.6 0.400 A 126 ARG CB C 13 33.4 0.400 A 126 ARG CD C 13 43.26 0.400 A 126 ARG CG C 13 26.38 0.400 A 126 ARG N N 15 117.91 0.400 A 126 ARG NE N 15 81.34 0.400 A 127 ILE H H 1 8.65 0.025 A 127 ILE HA H 1 4.92 0.025 A 127 ILE HB H 1 1.54 0.025 A 127 ILE HD1% H 1 0.69 0.025 A 127 ILE HG12 H 1 1.07 0.025 A 127 ILE HG13 H 1 1.28 0.025 A 127 ILE HG2% H 1 0.83 0.025 A 127 ILE CA C 13 60.96 0.400 A 127 ILE CB C 13 39.8 0.400 A 127 ILE CD1 C 13 14.14 0.400 A 127 ILE CG1 C 13 29.49 0.400 A 127 ILE CG2 C 13 19.09 0.400 A 127 ILE N N 15 121.4 0.400 A 128 PHE H H 1 10.01 0.025 A 128 PHE HA H 1 5.17 0.025 A 128 PHE HB2 H 1 3.2 0.025 A 128 PHE HB3 H 1 3.05 0.025 A 128 PHE HD1 H 1 7.07 0.025 A 128 PHE HD2 H 1 7.07 0.025 A 128 PHE CA C 13 55.61 0.400 A 128 PHE CB C 13 42.68 0.400 A 128 PHE CD1 C 13 132.1 0.400 A 128 PHE CD2 C 13 132.1 0.400 A 128 PHE N N 15 125.03 0.400 A 129 LYS H H 1 8.81 0.025 A 129 LYS HA H 1 5.25 0.025 A 129 LYS HB2 H 1 2.01 0.025 A 129 LYS HB3 H 1 1.85 0.025 A 129 LYS HD2 H 1 1.7 0.025 A 129 LYS HD3 H 1 1.7 0.025 A 129 LYS HE2 H 1 2.89 0.025 A 129 LYS HE3 H 1 2.95 0.025 A 129 LYS HG2 H 1 1.41 0.025 A 129 LYS HG3 H 1 1.65 0.025 A 129 LYS CA C 13 54.17 0.400 A 129 LYS CB C 13 36.4 0.400 A 129 LYS CD C 13 29.34 0.400 A 129 LYS CE C 13 41.89 0.400 A 129 LYS CG C 13 25.88 0.400 A 129 LYS N N 15 117.03 0.400 A 130 LYS H H 1 9.03 0.025 A 130 LYS HA H 1 4.11 0.025 A 130 LYS HB2 H 1 1.37 0.025 A 130 LYS HB3 H 1 1.44 0.025 A 130 LYS HD2 H 1 1.22 0.025 A 130 LYS HD3 H 1 1.32 0.025 A 130 LYS HE2 H 1 2.62 0.025 A 130 LYS HE3 H 1 2.74 0.025 A 130 LYS HG2 H 1 1 0.025 A 130 LYS HG3 H 1 0.56 0.025 A 130 LYS CA C 13 56.87 0.400 A 130 LYS CB C 13 32.66 0.400 A 130 LYS CD C 13 29.25 0.400 A 130 LYS CE C 13 42.25 0.400 A 130 LYS CG C 13 25.16 0.400 A 130 LYS N N 15 121.62 0.400 A 131 ASP H H 1 8.11 0.025 A 131 ASP HA H 1 4.43 0.025 A 131 ASP HB2 H 1 2.17 0.025 A 131 ASP HB3 H 1 2.31 0.025 A 131 ASP CA C 13 55.06 0.400 A 131 ASP CB C 13 44.26 0.400 A 131 ASP N N 15 128.11 0.400 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A -4 HIS HA A -4 HIS HB3 1.0 1.6 2.99 2 2 A -4 HIS HA A -3 VAL HGx% 1.0 1.6 4.91 3 2 A -4 HIS HA A -3 VAL HGy% 1.0 1.6 4.91 4 3 A -4 HIS HB2 A -3 VAL HB 1.0 1.6 4.73 5 4 A -4 HIS HB3 A -3 VAL HB 1.0 1.6 4.87 6 5 A -3 VAL HA A -3 VAL HGx% 1.0 1.6 3.38 7 5 A -3 VAL HGy% A -3 VAL HA 1.0 1.6 3.38 8 6 A -3 VAL HB A -3 VAL H 1.0 1.6 3.33 9 7 A -3 VAL H A -3 VAL HGx% 1.0 1.6 3.38 10 7 A -3 VAL HGy% A -3 VAL H 1.0 1.6 3.38 11 8 A -3 VAL HA A -2 GLY H 1.0 1.6 2.61 12 9 A -3 VAL HB A -2 GLY H 1.0 1.6 4.03 13 10 A -2 GLY H A -3 VAL HGx% 1.0 1.6 3.75 14 10 A -3 VAL HGy% A -2 GLY H 1.0 1.6 3.75 15 11 A -2 GLY HA3 A -3 VAL HGx% 1.0 1.6 5.50 16 11 A -3 VAL HGy% A -2 GLY HA3 1.0 1.6 5.50 17 12 A -1 THR H A -3 VAL HGx% 1.0 1.6 4.60 18 12 A -3 VAL HGy% A -1 THR H 1.0 1.6 4.60 19 13 A -1 THR HB A -3 VAL HGx% 1.0 1.6 4.65 20 13 A -3 VAL HGy% A -1 THR HB 1.0 1.6 4.65 21 14 A 0 GLN H A -3 VAL HGx% 1.0 1.6 5.41 22 14 A -3 VAL HGy% A 0 GLN H 1.0 1.6 5.41 23 15 A 0 GLN HE21 A -3 VAL HGx% 1.0 1.6 5.50 24 15 A -3 VAL HGy% A 0 GLN HE21 1.0 1.6 5.50 25 16 A -2 GLY H A -1 THR HA 1.0 1.6 5.40 26 17 A -2 GLY H A -1 THR H 1.0 1.6 3.91 27 18 A 0 GLN H A -1 THR HA 1.0 1.6 2.92 28 19 A -1 THR HA A 0 GLN HB2 1.0 1.6 5.50 29 20 A -1 THR HB A 0 GLN H 1.0 1.6 4.50 30 21 A -1 THR H A 0 GLN H 1.0 1.6 3.24 31 22 A -1 THR HA A 3 ASP HB3 1.0 1.6 4.88 32 23 A 0 GLN HE21 A 0 GLN HA 1.0 1.6 4.75 33 24 A 0 GLN HE21 A 0 GLN HB2 1.0 1.6 4.11 34 25 A 0 GLN HB2 A 0 GLN HE22 1.0 1.6 4.55 35 26 A 0 GLN HE21 A 0 GLN HB3 1.0 1.6 4.10 36 27 A 0 GLN HE22 A 0 GLN HB3 1.0 1.6 4.68 37 28 A 0 GLN H A 0 GLN HE22 1.0 1.6 5.50 38 29 A 0 GLN H A 0 GLN HE21 1.0 1.6 5.41 39 30 A 0 GLN H A 0 GLN HB2 1.0 1.6 3.29 40 31 A 0 GLN H A 0 GLN HB3 1.0 1.6 3.83 41 32 A 0 GLN HA A 1 ALA H 1.0 1.6 2.97 42 33 A 0 GLN HB2 A 1 ALA H 1.0 1.6 4.04 43 34 A 0 GLN HB3 A 1 ALA H 1.0 1.6 3.69 44 35 A 0 GLN HB3 A 1 ALA HA 1.0 1.6 5.50 45 36 A 0 GLN HE21 A 1 ALA H 1.0 1.6 5.50 46 37 A 0 GLN HA A 2 PHE H 1.0 1.6 4.56 47 38 A 0 GLN HB2 A 2 PHE H 1.0 1.6 5.26 48 39 A 0 GLN HB3 A 2 PHE H 1.0 1.6 5.08 49 40 A 0 GLN HA A 3 ASP H 1.0 1.6 5.28 50 41 A 0 GLN HB2 A 3 ASP H 1.0 1.6 5.41 51 42 A 0 GLN HB2 A 3 ASP HA 1.0 1.6 5.24 52 43 A 0 GLN HB3 A 3 ASP H 1.0 1.6 5.11 53 44 A 0 GLN HE21 A 3 ASP H 1.0 1.6 4.38 54 45 A 0 GLN HE21 A 3 ASP HA 1.0 1.6 5.50 55 46 A 0 GLN HE22 A 3 ASP H 1.0 1.6 5.23 56 47 A 0 GLN H A 3 ASP HB3 1.0 1.6 5.46 57 48 A 0 GLN HE21 A 42 GLN HB2 1.0 1.6 5.06 58 49 A 0 GLN HE22 A 42 GLN H 1.0 1.6 5.50 59 50 A 0 GLN HE22 A 42 GLN HG2 1.0 1.6 5.50 60 51 A 0 GLN HE22 A 42 GLN HB2 1.0 1.6 4.78 61 52 A 0 GLN HE22 A 42 GLN HB3 1.0 1.6 4.97 62 53 A 1 ALA HA A 2 PHE HA 1.0 1.6 5.10 63 54 A 1 ALA H A 2 PHE HA 1.0 1.6 5.50 64 55 A 1 ALA HA A 3 ASP H 1.0 1.6 4.27 65 56 A 1 ALA H A 3 ASP H 1.0 1.6 4.88 66 57 A 2 PHE H A 3 ASP H 1.0 1.6 3.14 67 58 A 3 ASP HB3 A 2 PHE H 1.0 1.6 5.50 68 59 A 2 PHE HA A 6 TRP HE1 1.0 1.6 4.39 69 60 A 2 PHE HA A 108 ILE HB 1.0 1.6 5.50 70 61 A 3 ASP HB3 A 3 ASP H 1.0 1.6 3.25 71 62 A 3 ASP H A 3 ASP HB2 1.0 1.6 3.48 72 63 A 3 ASP HA A 4 SER H 1.0 1.6 3.00 73 64 A 3 ASP HA A 4 SER HA 1.0 1.6 5.50 74 65 A 3 ASP HB2 A 4 SER H 1.0 1.6 4.43 75 66 A 3 ASP HB3 A 4 SER H 1.0 1.6 4.81 76 67 A 3 ASP HB3 A 4 SER HA 1.0 1.6 5.50 77 68 A 3 ASP H A 4 SER H 1.0 1.6 4.42 78 69 A 3 ASP HA A 6 TRP HE1 1.0 1.6 5.16 79 70 A 3 ASP H A 6 TRP HZ2 1.0 1.6 4.87 80 71 A 3 ASP HA A 40 ILE HB 1.0 1.6 3.83 81 72 A 3 ASP HA A 40 ILE HG13 1.0 1.6 5.50 82 73 A 3 ASP HA A 40 ILE H 1.0 1.6 4.87 83 74 A 3 ASP HB2 A 41 THR HA 1.0 1.6 5.50 84 75 A 3 ASP HB3 A 41 THR HA 1.0 1.6 4.84 85 76 A 42 GLN H A 3 ASP HB2 1.0 1.6 5.50 86 77 A 3 ASP HB3 A 42 GLN H 1.0 1.6 5.50 87 78 A 4 SER H A 4 SER HB3 1.0 1.6 3.94 88 79 A 4 SER HA A 5 THR H 1.0 1.6 2.98 89 80 A 4 SER HA A 5 THR HB 1.0 1.6 5.13 90 81 A 5 THR H A 4 SER HB2 1.0 1.6 3.62 91 82 A 4 SER HB3 A 5 THR H 1.0 1.6 3.61 92 83 A 4 SER H A 5 THR H 1.0 1.6 4.70 93 84 A 6 TRP HE1 A 4 SER HA 1.0 1.6 5.44 94 85 A 6 TRP HE1 A 4 SER HB2 1.0 1.6 4.29 95 86 A 6 TRP HZ2 A 4 SER HB2 1.0 1.6 4.12 96 87 A 4 SER HB3 A 6 TRP HD1 1.0 1.6 5.45 97 88 A 6 TRP HE1 A 4 SER HB3 1.0 1.6 4.06 98 89 A 6 TRP HZ2 A 4 SER HB3 1.0 1.6 4.36 99 90 A 4 SER HB3 A 6 TRP HA 1.0 1.6 5.50 100 91 A 6 TRP HE1 A 4 SER H 1.0 1.6 3.93 101 92 A 4 SER H A 6 TRP HD1 1.0 1.6 4.41 102 93 A 4 SER H A 39 THR HA 1.0 1.6 4.71 103 94 A 4 SER HA A 40 ILE H 1.0 1.6 5.50 104 95 A 4 SER H A 40 ILE HG12 1.0 1.6 5.15 105 96 A 4 SER H A 40 ILE H 1.0 1.6 3.78 106 97 A 40 ILE HB A 4 SER H 1.0 1.6 3.42 107 98 A 4 SER H A 40 ILE HA 1.0 1.6 4.65 108 99 A 4 SER H A 41 THR HA 1.0 1.6 5.11 109 100 A 4 SER HB2 A 130 LYS HE2 1.0 1.6 5.50 110 101 A 4 SER HB2 A 130 LYS HD2 1.0 1.6 5.50 111 102 A 4 SER HB2 A 130 LYS HD3 1.0 1.6 5.50 112 103 A 4 SER HB2 A 130 LYS HG2 1.0 1.6 5.50 113 104 A 4 SER HB2 A 130 LYS HG3 1.0 1.6 5.04 114 105 A 4 SER HB3 A 130 LYS HD3 1.0 1.6 5.50 115 106 A 4 SER HB3 A 130 LYS HD2 1.0 1.6 5.50 116 107 A 4 SER HB3 A 130 LYS HG3 1.0 1.6 4.98 117 108 A 4 SER HB3 A 130 LYS HE2 1.0 1.6 4.52 118 109 A 4 SER HB3 A 130 LYS HG2 1.0 1.6 5.50 119 110 A 5 THR H A 5 THR HB 1.0 1.6 3.22 120 111 A 5 THR HA A 6 TRP H 1.0 1.6 3.25 121 112 A 6 TRP HA A 5 THR HA 1.0 1.6 4.48 122 113 A 6 TRP HD1 A 5 THR HA 1.0 1.6 4.10 123 114 A 5 THR HB A 6 TRP H 1.0 1.6 4.83 124 115 A 5 THR H A 6 TRP HD1 1.0 1.6 5.50 125 116 A 5 THR H A 6 TRP H 1.0 1.6 4.65 126 117 A 5 THR H A 6 TRP HA 1.0 1.6 5.24 127 118 A 39 THR HA A 5 THR HA 1.0 1.6 3.40 128 119 A 5 THR HB A 39 THR HA 1.0 1.6 5.16 129 120 A 40 ILE H A 5 THR HA 1.0 1.6 4.29 130 121 A 5 THR H A 130 LYS HG3 1.0 1.6 5.47 131 122 A 5 THR H A 130 LYS HD2 1.0 1.6 5.50 132 123 A 5 THR HA A 131 ASP H 1.0 1.6 5.50 133 124 A 5 THR HB A 131 ASP H 1.0 1.6 4.29 134 125 A 5 THR HB A 131 ASP HB3 1.0 1.6 4.14 135 126 A 6 TRP HD1 A 6 TRP HA 1.0 1.6 5.50 136 127 A 6 TRP HA A 6 TRP HE3 1.0 1.6 4.08 137 128 A 6 TRP HD1 A 6 TRP HB2 1.0 1.6 3.88 138 129 A 6 TRP HE3 A 6 TRP HB2 1.0 1.6 3.44 139 130 A 6 TRP HD1 A 6 TRP HB3 1.0 1.6 3.35 140 131 A 6 TRP HE3 A 6 TRP HB3 1.0 1.6 4.16 141 132 A 6 TRP H A 6 TRP HE3 1.0 1.6 5.37 142 133 A 6 TRP H A 6 TRP HB3 1.0 1.6 3.93 143 134 A 6 TRP HD1 A 6 TRP H 1.0 1.6 3.54 144 135 A 6 TRP HA A 7 LYS H 1.0 1.6 3.10 145 136 A 7 LYS H A 6 TRP HB2 1.0 1.6 4.11 146 137 A 7 LYS H A 6 TRP HB3 1.0 1.6 4.62 147 138 A 6 TRP HB3 A 7 LYS HA 1.0 1.6 5.50 148 139 A 6 TRP H A 7 LYS H 1.0 1.6 4.96 149 140 A 6 TRP HB2 A 38 LEU H 1.0 1.6 5.35 150 141 A 6 TRP HB3 A 38 LEU H 1.0 1.6 4.20 151 142 A 6 TRP HB3 A 38 LEU HBy 1.0 1.6 4.44 152 143 A 6 TRP HB3 A 38 LEU HBx 1.0 1.6 4.91 153 144 A 6 TRP HD1 A 38 LEU H 1.0 1.6 5.50 154 145 A 6 TRP HD1 A 38 LEU HBx 1.0 1.6 5.43 155 146 A 6 TRP HD1 A 38 LEU HBy 1.0 1.6 3.69 156 147 A 6 TRP H A 38 LEU HA 1.0 1.6 5.02 157 148 A 6 TRP H A 38 LEU HBy 1.0 1.6 5.04 158 149 A 6 TRP H A 38 LEU H 1.0 1.6 4.28 159 150 A 6 TRP HD1 A 39 THR HA 1.0 1.6 5.28 160 151 A 39 THR HA A 6 TRP H 1.0 1.6 4.33 161 152 A 40 ILE HB A 6 TRP HD1 1.0 1.6 5.50 162 153 A 40 ILE H A 6 TRP HD1 1.0 1.6 3.82 163 154 A 6 TRP HD1 A 40 ILE HG12 1.0 1.6 3.44 164 155 A 6 TRP HE1 A 40 ILE H 1.0 1.6 5.34 165 156 A 6 TRP HE1 A 40 ILE HB 1.0 1.6 4.02 166 157 A 40 ILE H A 6 TRP H 1.0 1.6 4.91 167 158 A 6 TRP HE3 A 112 GLU HA 1.0 1.6 5.39 168 159 A 6 TRP HZ3 A 112 GLU H 1.0 1.6 5.31 169 160 A 112 GLU HA A 6 TRP HZ3 1.0 1.6 3.95 170 161 A 6 TRP HB2 A 113 LEU H 1.0 1.6 4.66 171 162 A 6 TRP HB2 A 113 LEU HBy 1.0 1.6 4.43 172 163 A 6 TRP HB2 A 113 LEU HBx 1.0 1.6 4.63 173 164 A 6 TRP HE3 A 113 LEU H 1.0 1.6 4.29 174 165 A 6 TRP HE3 A 113 LEU HBx 1.0 1.6 5.18 175 166 A 6 TRP HE3 A 113 LEU HA 1.0 1.6 5.50 176 167 A 6 TRP HZ3 A 113 LEU H 1.0 1.6 4.15 177 168 A 6 TRP HZ3 A 113 LEU HBx 1.0 1.6 5.50 178 169 A 6 TRP HA A 129 LYS H 1.0 1.6 4.65 179 170 A 6 TRP HE3 A 129 LYS HA 1.0 1.6 4.34 180 171 A 6 TRP HZ3 A 129 LYS HA 1.0 1.6 4.25 181 172 A 6 TRP HA A 130 LYS H 1.0 1.6 5.41 182 173 A 6 TRP HA A 130 LYS HA 1.0 1.6 3.61 183 174 A 6 TRP HE3 A 130 LYS HB3 1.0 1.6 5.45 184 175 A 6 TRP HE3 A 130 LYS HB2 1.0 1.6 5.47 185 176 A 130 LYS HG2 A 6 TRP HE3 1.0 1.6 5.07 186 177 A 130 LYS HA A 6 TRP HE3 1.0 1.6 4.36 187 178 A 6 TRP HE3 A 130 LYS H 1.0 1.6 3.69 188 179 A 130 LYS HE2 A 6 TRP HH2 1.0 1.6 4.50 189 180 A 130 LYS HD2 A 6 TRP HH2 1.0 1.6 5.50 190 181 A 6 TRP HH2 A 130 LYS HE3 1.0 1.6 4.24 191 182 A 6 TRP H A 130 LYS HA 1.0 1.6 5.50 192 183 A 6 TRP HZ3 A 130 LYS H 1.0 1.6 4.41 193 184 A 6 TRP HZ3 A 130 LYS HB2 1.0 1.6 5.45 194 185 A 130 LYS HD2 A 6 TRP HZ3 1.0 1.6 5.50 195 186 A 130 LYS HA A 6 TRP HZ3 1.0 1.6 5.43 196 187 A 130 LYS HG2 A 6 TRP HZ3 1.0 1.6 4.20 197 188 A 6 TRP HA A 131 ASP H 1.0 1.6 3.69 198 189 A 6 TRP HA A 131 ASP HB3 1.0 1.6 5.50 199 190 A 6 TRP HA A 131 ASP HB2 1.0 1.6 5.50 200 191 A 131 ASP H A 6 TRP HB2 1.0 1.6 5.50 201 192 A 6 TRP H A 131 ASP H 1.0 1.6 5.46 202 193 A 7 LYS H A 7 LYS HB3 1.0 1.6 3.63 203 194 A 7 LYS H A 7 LYS HB2 1.0 1.6 3.68 204 195 A 7 LYS HA A 8 VAL HB 1.0 1.6 4.56 205 196 A 7 LYS HA A 8 VAL H 1.0 1.6 3.06 206 197 A 7 LYS HA A 8 VAL HA 1.0 1.6 5.38 207 198 A 7 LYS HB2 A 8 VAL H 1.0 1.6 4.26 208 199 A 7 LYS HB3 A 8 VAL H 1.0 1.6 4.12 209 200 A 7 LYS H A 8 VAL H 1.0 1.6 5.06 210 201 A 7 LYS HA A 37 LYS H 1.0 1.6 5.50 211 202 A 7 LYS HA A 37 LYS HG3 1.0 1.6 4.81 212 203 A 7 LYS HA A 37 LYS HA 1.0 1.6 3.42 213 204 A 7 LYS HB2 A 37 LYS HA 1.0 1.6 3.53 214 205 A 7 LYS HA A 38 LEU H 1.0 1.6 4.22 215 206 A 7 LYS H A 128 PHE HB2 1.0 1.6 5.50 216 207 A 7 LYS H A 129 LYS H 1.0 1.6 3.88 217 208 A 7 LYS H A 130 LYS H 1.0 1.6 5.27 218 209 A 7 LYS H A 130 LYS HA 1.0 1.6 4.15 219 210 A 131 ASP HB2 A 7 LYS HB2 1.0 1.6 3.98 220 211 A 131 ASP HB3 A 7 LYS HB2 1.0 1.6 4.76 221 212 A 131 ASP HA A 7 LYS HB2 1.0 1.6 5.16 222 213 A 7 LYS H A 131 ASP H 1.0 1.6 4.27 223 214 A 7 LYS H A 131 ASP HA 1.0 1.6 5.50 224 215 A 7 LYS H A 131 ASP HB3 1.0 1.6 4.82 225 216 A 7 LYS H A 131 ASP HB2 1.0 1.6 4.71 226 217 A 8 VAL HB A 8 VAL H 1.0 1.6 3.16 227 218 A 8 VAL HA A 9 ASP HB3 1.0 1.6 5.47 228 219 A 8 VAL HA A 9 ASP HA 1.0 1.6 5.50 229 220 A 8 VAL HA A 9 ASP H 1.0 1.6 3.15 230 221 A 8 VAL HA A 9 ASP HB2 1.0 1.6 4.83 231 222 A 8 VAL HB A 9 ASP H 1.0 1.6 5.28 232 223 A 8 VAL H A 9 ASP H 1.0 1.6 5.13 233 224 A 8 VAL HA A 10 ARG H 1.0 1.6 3.90 234 225 A 8 VAL H A 36 LEU H 1.0 1.6 4.97 235 226 A 8 VAL H A 37 LYS HA 1.0 1.6 4.07 236 227 A 8 VAL HB A 126 ARG HDy 1.0 1.6 5.42 237 228 A 8 VAL HA A 127 ILE H 1.0 1.6 5.50 238 229 A 8 VAL HA A 128 PHE HB3 1.0 1.6 4.71 239 230 A 8 VAL HA A 128 PHE HA 1.0 1.6 3.34 240 231 A 8 VAL H A 128 PHE HB3 1.0 1.6 5.50 241 232 A 8 VAL H A 128 PHE HA 1.0 1.6 5.34 242 233 A 129 LYS H A 8 VAL HA 1.0 1.6 3.85 243 234 A 9 ASP HB2 A 9 ASP H 1.0 1.6 3.79 244 235 A 9 ASP HB3 A 9 ASP H 1.0 1.6 3.84 245 236 A 9 ASP HA A 10 ARG HD2 1.0 1.6 5.50 246 237 A 9 ASP HB2 A 10 ARG H 1.0 1.6 3.75 247 238 A 9 ASP HB2 A 10 ARG HD2 1.0 1.6 5.50 248 239 A 9 ASP HB3 A 10 ARG H 1.0 1.6 3.52 249 240 A 9 ASP HB3 A 10 ARG HG3 1.0 1.6 5.50 250 241 A 9 ASP H A 10 ARG H 1.0 1.6 3.20 251 242 A 9 ASP HB3 A 127 ILE HB 1.0 1.6 5.27 252 243 A 9 ASP H A 127 ILE HB 1.0 1.6 5.50 253 244 A 9 ASP HB2 A 128 PHE HA 1.0 1.6 5.01 254 245 A 9 ASP HB3 A 128 PHE HA 1.0 1.6 4.89 255 246 A 9 ASP H A 128 PHE HB3 1.0 1.6 5.24 256 247 A 9 ASP H A 128 PHE HA 1.0 1.6 3.65 257 248 A 9 ASP HB2 A 129 LYS HE3 1.0 1.6 5.50 258 249 A 9 ASP HB2 A 129 LYS HE2 1.0 1.6 5.50 259 250 A 9 ASP HB2 A 129 LYS HB3 1.0 1.6 4.80 260 251 A 129 LYS H A 9 ASP HB2 1.0 1.6 4.42 261 252 A 129 LYS H A 9 ASP HB3 1.0 1.6 4.63 262 253 A 129 LYS H A 9 ASP H 1.0 1.6 4.23 263 254 A 10 ARG HA A 10 ARG HE 1.0 1.6 5.50 264 255 A 10 ARG HA A 10 ARG HG2 1.0 1.6 3.86 265 256 A 10 ARG H A 10 ARG HG3 1.0 1.6 4.54 266 257 A 10 ARG H A 10 ARG HG2 1.0 1.6 4.36 267 258 A 10 ARG HA A 11 SER H 1.0 1.6 2.96 268 259 A 11 SER H A 10 ARG HG2 1.0 1.6 4.61 269 260 A 10 ARG HG2 A 11 SER HA 1.0 1.6 4.64 270 261 A 11 SER H A 10 ARG HG3 1.0 1.6 4.54 271 262 A 10 ARG H A 11 SER H 1.0 1.6 4.60 272 263 A 10 ARG HD2 A 127 ILE HB 1.0 1.6 5.50 273 264 A 127 ILE HB A 10 ARG HE 1.0 1.6 5.50 274 265 A 10 ARG H A 127 ILE H 1.0 1.6 4.26 275 266 A 10 ARG H A 127 ILE HB 1.0 1.6 4.34 276 267 A 10 ARG H A 128 PHE HA 1.0 1.6 4.34 277 268 A 10 ARG HD2 A 129 LYS HB2 1.0 1.6 5.50 278 269 A 10 ARG HD2 A 129 LYS HG3 1.0 1.6 5.40 279 270 A 129 LYS HB3 A 10 ARG HD3 1.0 1.6 5.50 280 271 A 129 LYS H A 10 ARG HG2 1.0 1.6 5.13 281 272 A 11 SER H A 11 SER HB2 1.0 1.6 3.89 282 273 A 11 SER H A 11 SER HB3 1.0 1.6 4.14 283 274 A 11 SER HA A 12 GLU H 1.0 1.6 3.24 284 275 A 11 SER HA A 12 GLU HG2 1.0 1.6 5.44 285 276 A 11 SER HA A 12 GLU HG3 1.0 1.6 5.00 286 277 A 11 SER HA A 12 GLU HB2 1.0 1.6 5.15 287 278 A 11 SER HB2 A 12 GLU H 1.0 1.6 3.93 288 279 A 11 SER HB3 A 12 GLU H 1.0 1.6 3.72 289 280 A 11 SER H A 12 GLU H 1.0 1.6 4.73 290 281 A 11 SER HA A 14 TYR H 1.0 1.6 5.50 291 282 A 11 SER HA A 14 TYR HB3 1.0 1.6 5.20 292 283 A 11 SER HB2 A 14 TYR HB2 1.0 1.6 4.77 293 284 A 11 SER HB2 A 14 TYR HB3 1.0 1.6 4.27 294 285 A 11 SER HB2 A 14 TYR H 1.0 1.6 5.17 295 286 A 11 SER HB3 A 14 TYR H 1.0 1.6 4.52 296 287 A 11 SER HB3 A 14 TYR HB2 1.0 1.6 4.43 297 288 A 11 SER HB3 A 14 TYR HB3 1.0 1.6 4.39 298 289 A 11 SER HA A 126 ARG H 1.0 1.6 5.50 299 290 A 126 ARG HA A 11 SER HA 1.0 1.6 3.49 300 291 A 11 SER HB2 A 126 ARG HG2 1.0 1.6 5.38 301 292 A 11 SER HB2 A 126 ARG HG3 1.0 1.6 5.05 302 293 A 126 ARG HE A 11 SER HB2 1.0 1.6 5.50 303 294 A 126 ARG HA A 11 SER HB2 1.0 1.6 3.68 304 295 A 126 ARG HDy A 11 SER HB2 1.0 1.6 5.50 305 296 A 11 SER HB3 A 126 ARG HG3 1.0 1.6 5.29 306 297 A 127 ILE H A 11 SER HA 1.0 1.6 4.13 307 298 A 12 GLU HG3 A 12 GLU HA 1.0 1.6 3.91 308 299 A 12 GLU HG2 A 12 GLU HA 1.0 1.6 4.22 309 300 A 12 GLU HG3 A 12 GLU HB3 1.0 1.6 2.96 310 301 A 12 GLU H A 12 GLU HB2 1.0 1.6 3.72 311 302 A 12 GLU H A 12 GLU HG3 1.0 1.6 4.32 312 303 A 12 GLU H A 12 GLU HG2 1.0 1.6 4.50 313 304 A 12 GLU H A 12 GLU HB3 1.0 1.6 4.16 314 305 A 12 GLU HA A 13 ASN H 1.0 1.6 2.71 315 306 A 12 GLU HB2 A 13 ASN HB3 1.0 1.6 5.50 316 307 A 12 GLU HB2 A 13 ASN H 1.0 1.6 4.98 317 308 A 12 GLU HB3 A 13 ASN H 1.0 1.6 3.98 318 309 A 12 GLU HB3 A 13 ASN HB3 1.0 1.6 5.03 319 310 A 12 GLU HB3 A 13 ASN HB2 1.0 1.6 4.99 320 311 A 12 GLU HG2 A 13 ASN H 1.0 1.6 4.57 321 312 A 12 GLU HG3 A 13 ASN H 1.0 1.6 4.77 322 313 A 12 GLU H A 13 ASN H 1.0 1.6 4.12 323 314 A 14 TYR HB3 A 12 GLU HA 1.0 1.6 4.95 324 315 A 12 GLU HB2 A 14 TYR H 1.0 1.6 5.50 325 316 A 12 GLU H A 14 TYR HB3 1.0 1.6 5.17 326 317 A 12 GLU H A 14 TYR H 1.0 1.6 4.72 327 318 A 12 GLU HB2 A 124 ALA HA 1.0 1.6 4.75 328 319 A 12 GLU HB3 A 124 ALA HA 1.0 1.6 5.25 329 320 A 12 GLU HA A 125 LYS H 1.0 1.6 5.07 330 321 A 12 GLU HB2 A 125 LYS HB3 1.0 1.6 4.68 331 322 A 12 GLU HB2 A 125 LYS HB2 1.0 1.6 4.22 332 323 A 12 GLU HB2 A 125 LYS H 1.0 1.6 3.86 333 324 A 12 GLU HB3 A 125 LYS H 1.0 1.6 4.31 334 325 A 12 GLU HB3 A 125 LYS HB3 1.0 1.6 4.60 335 326 A 12 GLU HB3 A 125 LYS HB2 1.0 1.6 4.70 336 327 A 12 GLU H A 125 LYS HA 1.0 1.6 5.50 337 328 A 12 GLU H A 125 LYS H 1.0 1.6 3.57 338 329 A 12 GLU H A 125 LYS HB2 1.0 1.6 5.50 339 330 A 127 ILE HB A 12 GLU HG3 1.0 1.6 5.37 340 331 A 13 ASN HB2 A 13 ASN HD22 1.0 1.6 4.00 341 332 A 13 ASN HB3 A 13 ASN HD22 1.0 1.6 3.69 342 333 A 13 ASN HB3 A 13 ASN HD21 1.0 1.6 3.79 343 334 A 13 ASN H A 13 ASN HB3 1.0 1.6 3.96 344 335 A 14 TYR H A 13 ASN HA 1.0 1.6 3.54 345 336 A 13 ASN HD22 A 14 TYR HA 1.0 1.6 5.50 346 337 A 14 TYR HB2 A 13 ASN H 1.0 1.6 5.50 347 338 A 14 TYR H A 13 ASN H 1.0 1.6 3.68 348 339 A 13 ASN HA A 15 ASP H 1.0 1.6 4.18 349 340 A 13 ASN H A 15 ASP H 1.0 1.6 4.84 350 341 A 13 ASN HA A 16 LYS H 1.0 1.6 4.55 351 342 A 13 ASN HD21 A 16 LYS H 1.0 1.6 5.38 352 343 A 13 ASN HD21 A 16 LYS HB3 1.0 1.6 5.07 353 344 A 13 ASN HD21 A 16 LYS HB2 1.0 1.6 4.23 354 345 A 13 ASN HD21 A 16 LYS HG3 1.0 1.6 5.49 355 346 A 13 ASN HD21 A 16 LYS HG2 1.0 1.6 5.50 356 347 A 13 ASN HD22 A 16 LYS HB3 1.0 1.6 5.38 357 348 A 13 ASN HD22 A 16 LYS HB2 1.0 1.6 5.50 358 349 A 13 ASN HD22 A 16 LYS HG2 1.0 1.6 5.50 359 350 A 13 ASN HD22 A 16 LYS HG3 1.0 1.6 5.50 360 351 A 13 ASN HA A 17 PHE H 1.0 1.6 5.37 361 352 A 13 ASN HB2 A 122 VAL HGx% 1.0 1.6 5.50 362 352 A 13 ASN HB2 A 122 VAL HGy% 1.0 1.6 5.50 363 353 A 13 ASN HD21 A 122 VAL HA 1.0 1.6 5.21 364 354 A 13 ASN HD21 A 122 VAL HGx% 1.0 1.6 3.48 365 354 A 13 ASN HD21 A 122 VAL HGy% 1.0 1.6 3.48 366 355 A 13 ASN HD22 A 122 VAL HGx% 1.0 1.6 4.57 367 355 A 13 ASN HD22 A 122 VAL HGy% 1.0 1.6 4.57 368 356 A 13 ASN HD22 A 122 VAL HA 1.0 1.6 5.50 369 357 A 13 ASN HD22 A 123 GLU H 1.0 1.6 5.12 370 358 A 13 ASN HB2 A 124 ALA HA 1.0 1.6 3.39 371 359 A 13 ASN HB3 A 124 ALA HA 1.0 1.6 3.53 372 360 A 124 ALA HA A 13 ASN HD22 1.0 1.6 4.77 373 361 A 13 ASN HB2 A 125 LYS H 1.0 1.6 4.38 374 362 A 13 ASN HB3 A 125 LYS H 1.0 1.6 4.57 375 363 A 14 TYR H A 14 TYR HB2 1.0 1.6 3.34 376 364 A 14 TYR H A 14 TYR HB3 1.0 1.6 3.36 377 365 A 14 TYR HB2 A 15 ASP H 1.0 1.6 3.90 378 366 A 14 TYR HB2 A 15 ASP HA 1.0 1.6 5.23 379 367 A 14 TYR HB3 A 15 ASP H 1.0 1.6 4.08 380 368 A 14 TYR H A 15 ASP H 1.0 1.6 3.35 381 369 A 14 TYR H A 16 LYS H 1.0 1.6 5.41 382 370 A 14 TYR HA A 17 PHE H 1.0 1.6 4.10 383 371 A 14 TYR HA A 17 PHE HB3 1.0 1.6 5.12 384 372 A 14 TYR HA A 17 PHE HB2 1.0 1.6 3.65 385 373 A 14 TYR HA A 18 MET H 1.0 1.6 4.81 386 374 A 15 ASP H A 16 LYS H 1.0 1.6 3.48 387 375 A 15 ASP HA A 18 MET H 1.0 1.6 4.17 388 376 A 15 ASP HA A 18 MET HB3 1.0 1.6 4.18 389 377 A 16 LYS HG3 A 16 LYS HA 1.0 1.6 4.13 390 378 A 16 LYS HG2 A 16 LYS HA 1.0 1.6 3.85 391 379 A 16 LYS HB3 A 16 LYS HG2 1.0 1.6 2.81 392 380 A 16 LYS H A 16 LYS HB2 1.0 1.6 3.13 393 381 A 16 LYS H A 16 LYS HB3 1.0 1.6 3.33 394 382 A 16 LYS H A 16 LYS HG3 1.0 1.6 4.10 395 383 A 16 LYS HB2 A 17 PHE H 1.0 1.6 3.81 396 384 A 16 LYS HB3 A 17 PHE H 1.0 1.6 3.87 397 385 A 16 LYS H A 17 PHE H 1.0 1.6 3.28 398 386 A 16 LYS HA A 19 GLU H 1.0 1.6 3.72 399 387 A 16 LYS HA A 19 GLU HG2 1.0 1.6 4.64 400 388 A 16 LYS HA A 19 GLU HG3 1.0 1.6 4.51 401 389 A 16 LYS HA A 19 GLU HB2 1.0 1.6 3.30 402 390 A 16 LYS HA A 19 GLU HB3 1.0 1.6 3.13 403 391 A 16 LYS HG2 A 19 GLU HB2 1.0 1.6 5.50 404 392 A 16 LYS HG3 A 19 GLU H 1.0 1.6 5.50 405 393 A 16 LYS HB3 A 20 LYS HE2 1.0 1.6 5.20 406 394 A 16 LYS HG2 A 20 LYS HE2 1.0 1.6 4.31 407 395 A 16 LYS HA A 122 VAL HGx% 1.0 1.6 5.50 408 395 A 122 VAL HGy% A 16 LYS HA 1.0 1.6 5.50 409 396 A 16 LYS HB2 A 122 VAL HGx% 1.0 1.6 4.85 410 396 A 16 LYS HB2 A 122 VAL HGy% 1.0 1.6 4.85 411 397 A 16 LYS HG3 A 122 VAL HGx% 1.0 1.6 4.69 412 397 A 16 LYS HG3 A 122 VAL HGy% 1.0 1.6 4.69 413 398 A 16 LYS H A 122 VAL HGx% 1.0 1.6 5.26 414 398 A 16 LYS H A 122 VAL HGy% 1.0 1.6 5.26 415 399 A 17 PHE H A 17 PHE HB2 1.0 1.6 3.30 416 400 A 17 PHE H A 17 PHE HB3 1.0 1.6 3.35 417 401 A 17 PHE HB2 A 18 MET H 1.0 1.6 4.46 418 402 A 17 PHE HB3 A 18 MET H 1.0 1.6 3.95 419 403 A 17 PHE HB3 A 18 MET HG3 1.0 1.6 5.50 420 404 A 17 PHE H A 18 MET H 1.0 1.6 3.53 421 405 A 17 PHE H A 19 GLU H 1.0 1.6 4.70 422 406 A 17 PHE HA A 20 LYS H 1.0 1.6 4.38 423 407 A 17 PHE HA A 20 LYS HB2 1.0 1.6 4.99 424 408 A 17 PHE HA A 21 MET H 1.0 1.6 5.50 425 409 A 17 PHE HA A 122 VAL HB 1.0 1.6 4.39 426 410 A 17 PHE HA A 122 VAL HGx% 1.0 1.6 3.30 427 410 A 122 VAL HGy% A 17 PHE HA 1.0 1.6 3.30 428 411 A 17 PHE HB2 A 122 VAL HGx% 1.0 1.6 5.50 429 411 A 122 VAL HGy% A 17 PHE HB2 1.0 1.6 5.50 430 412 A 17 PHE HB3 A 122 VAL HGx% 1.0 1.6 4.89 431 412 A 122 VAL HGy% A 17 PHE HB3 1.0 1.6 4.89 432 413 A 17 PHE H A 122 VAL HGx% 1.0 1.6 4.09 433 413 A 17 PHE H A 122 VAL HGy% 1.0 1.6 4.09 434 414 A 18 MET HG3 A 18 MET HA 1.0 1.6 4.02 435 415 A 18 MET HG2 A 18 MET HA 1.0 1.6 3.73 436 416 A 18 MET H A 18 MET HB3 1.0 1.6 3.50 437 417 A 18 MET H A 18 MET HG2 1.0 1.6 4.01 438 418 A 18 MET H A 18 MET HB2 1.0 1.6 3.73 439 419 A 18 MET H A 18 MET HG3 1.0 1.6 4.30 440 420 A 19 GLU H A 18 MET HB2 1.0 1.6 4.28 441 421 A 18 MET HB3 A 19 GLU H 1.0 1.6 3.05 442 422 A 18 MET HB3 A 19 GLU HB3 1.0 1.6 4.82 443 423 A 18 MET HG3 A 19 GLU H 1.0 1.6 5.50 444 424 A 18 MET H A 19 GLU H 1.0 1.6 3.75 445 425 A 18 MET H A 19 GLU HA 1.0 1.6 5.21 446 426 A 18 MET H A 19 GLU HB3 1.0 1.6 4.48 447 427 A 18 MET HA A 20 LYS H 1.0 1.6 4.95 448 428 A 18 MET HA A 21 MET H 1.0 1.6 4.04 449 429 A 18 MET HA A 21 MET HG2 1.0 1.6 5.44 450 430 A 18 MET HA A 21 MET HB3 1.0 1.6 4.84 451 431 A 18 MET HA A 21 MET HB2 1.0 1.6 3.75 452 432 A 18 MET HA A 21 MET HG3 1.0 1.6 5.03 453 433 A 18 MET HA A 22 GLY H 1.0 1.6 4.66 454 434 A 18 MET HA A 23 VAL H 1.0 1.6 4.78 455 435 A 18 MET HA A 23 VAL HB 1.0 1.6 5.50 456 436 A 18 MET HB2 A 23 VAL H 1.0 1.6 5.50 457 437 A 18 MET HB3 A 23 VAL H 1.0 1.6 5.50 458 438 A 18 MET HB3 A 23 VAL HB 1.0 1.6 4.37 459 439 A 18 MET HB2 A 28 ARG HE 1.0 1.6 5.50 460 440 A 18 MET HB2 A 28 ARG HD2 1.0 1.6 5.26 461 441 A 18 MET HB3 A 28 ARG HD2 1.0 1.6 4.19 462 442 A 18 MET HB3 A 28 ARG HD3 1.0 1.6 4.77 463 443 A 18 MET HB3 A 28 ARG HB3 1.0 1.6 4.68 464 444 A 18 MET HB3 A 28 ARG HG2 1.0 1.6 5.50 465 445 A 18 MET HB3 A 28 ARG HA 1.0 1.6 4.68 466 446 A 18 MET H A 122 VAL HGx% 1.0 1.6 5.47 467 446 A 122 VAL HGy% A 18 MET H 1.0 1.6 5.47 468 447 A 19 GLU HG2 A 19 GLU HA 1.0 1.6 3.82 469 448 A 19 GLU HG3 A 19 GLU HA 1.0 1.6 3.67 470 449 A 19 GLU H A 19 GLU HB3 1.0 1.6 3.24 471 450 A 19 GLU H A 19 GLU HG2 1.0 1.6 4.05 472 451 A 19 GLU H A 19 GLU HG3 1.0 1.6 4.29 473 452 A 19 GLU H A 19 GLU HB2 1.0 1.6 3.58 474 453 A 19 GLU HB2 A 20 LYS H 1.0 1.6 3.87 475 454 A 19 GLU HB3 A 20 LYS H 1.0 1.6 4.18 476 455 A 19 GLU H A 20 LYS H 1.0 1.6 3.68 477 456 A 21 MET H A 19 GLU HA 1.0 1.6 4.98 478 457 A 19 GLU H A 21 MET H 1.0 1.6 5.11 479 458 A 19 GLU HA A 22 GLY H 1.0 1.6 4.07 480 459 A 19 GLU H A 22 GLY H 1.0 1.6 5.50 481 460 A 19 GLU HA A 23 VAL H 1.0 1.6 4.18 482 461 A 19 GLU HA A 28 ARG HE 1.0 1.6 5.50 483 462 A 19 GLU HA A 28 ARG HD2 1.0 1.6 4.67 484 463 A 19 GLU HA A 28 ARG HD3 1.0 1.6 4.19 485 464 A 19 GLU HA A 28 ARG HG2 1.0 1.6 4.92 486 465 A 19 GLU HB2 A 28 ARG HD3 1.0 1.6 5.50 487 466 A 19 GLU HB3 A 28 ARG HD2 1.0 1.6 4.03 488 467 A 19 GLU HG2 A 28 ARG HG2 1.0 1.6 5.50 489 468 A 19 GLU HG2 A 28 ARG HD3 1.0 1.6 5.50 490 469 A 19 GLU H A 28 ARG HD2 1.0 1.6 4.30 491 470 A 19 GLU H A 28 ARG HD3 1.0 1.6 4.50 492 471 A 19 GLU H A 122 VAL HGx% 1.0 1.6 5.48 493 471 A 122 VAL HGy% A 19 GLU H 1.0 1.6 5.48 494 472 A 20 LYS HA A 20 LYS HE3 1.0 1.6 5.22 495 473 A 20 LYS HA A 20 LYS HD2 1.0 1.6 3.41 496 474 A 20 LYS HA A 20 LYS HB3 1.0 1.6 2.95 497 475 A 20 LYS HA A 20 LYS HG2 1.0 1.6 3.26 498 476 A 20 LYS H A 20 LYS HB3 1.0 1.6 3.67 499 477 A 20 LYS H A 20 LYS HD3 1.0 1.6 4.24 500 478 A 20 LYS H A 20 LYS HB2 1.0 1.6 3.33 501 479 A 20 LYS H A 20 LYS HG2 1.0 1.6 4.99 502 480 A 20 LYS H A 20 LYS HD2 1.0 1.6 5.20 503 481 A 20 LYS H A 20 LYS HG3 1.0 1.6 5.50 504 482 A 20 LYS HB2 A 21 MET H 1.0 1.6 3.97 505 483 A 21 MET H A 20 LYS HB3 1.0 1.6 5.35 506 484 A 21 MET H A 20 LYS HG3 1.0 1.6 5.49 507 485 A 20 LYS H A 21 MET HA 1.0 1.6 5.50 508 486 A 20 LYS H A 21 MET H 1.0 1.6 3.57 509 487 A 20 LYS H A 22 GLY H 1.0 1.6 4.75 510 488 A 20 LYS HE2 A 120 GLU HBx 1.0 1.6 3.73 511 489 A 20 LYS HE2 A 120 GLU HG2 1.0 1.6 4.96 512 490 A 20 LYS HE3 A 120 GLU HBx 1.0 1.6 3.92 513 491 A 20 LYS HE3 A 120 GLU HG2 1.0 1.6 4.07 514 492 A 20 LYS HE3 A 120 GLU H 1.0 1.6 5.50 515 493 A 20 LYS HE2 A 121 GLY H 1.0 1.6 5.50 516 494 A 20 LYS HB3 A 122 VAL HGx% 1.0 1.6 4.45 517 494 A 122 VAL HGy% A 20 LYS HB3 1.0 1.6 4.45 518 495 A 20 LYS HD2 A 122 VAL HGx% 1.0 1.6 4.72 519 495 A 122 VAL HGy% A 20 LYS HD2 1.0 1.6 4.72 520 496 A 20 LYS HD3 A 122 VAL HGx% 1.0 1.6 3.55 521 496 A 122 VAL HGy% A 20 LYS HD3 1.0 1.6 3.55 522 497 A 20 LYS HE2 A 122 VAL H 1.0 1.6 5.48 523 498 A 20 LYS HE2 A 122 VAL HGx% 1.0 1.6 3.95 524 498 A 122 VAL HGy% A 20 LYS HE2 1.0 1.6 3.95 525 499 A 20 LYS HE3 A 122 VAL HGx% 1.0 1.6 4.21 526 499 A 122 VAL HGy% A 20 LYS HE3 1.0 1.6 4.21 527 500 A 20 LYS HG2 A 122 VAL HGx% 1.0 1.6 5.29 528 500 A 122 VAL HGy% A 20 LYS HG2 1.0 1.6 5.29 529 501 A 20 LYS HG3 A 122 VAL HGx% 1.0 1.6 4.75 530 501 A 122 VAL HGy% A 20 LYS HG3 1.0 1.6 4.75 531 502 A 20 LYS H A 122 VAL HGx% 1.0 1.6 4.85 532 502 A 122 VAL HGy% A 20 LYS H 1.0 1.6 4.85 533 503 A 21 MET HG3 A 21 MET HA 1.0 1.6 3.98 534 504 A 21 MET H A 21 MET HB2 1.0 1.6 3.55 535 505 A 21 MET H A 21 MET HG3 1.0 1.6 4.07 536 506 A 21 MET H A 21 MET HB3 1.0 1.6 3.75 537 507 A 21 MET H A 21 MET HG2 1.0 1.6 4.19 538 508 A 21 MET HB2 A 22 GLY H 1.0 1.6 4.39 539 509 A 21 MET HB3 A 22 GLY H 1.0 1.6 4.78 540 510 A 21 MET H A 22 GLY H 1.0 1.6 3.59 541 511 A 21 MET HB2 A 23 VAL H 1.0 1.6 4.93 542 512 A 21 MET HG3 A 119 TYR HB3 1.0 1.6 5.50 543 513 A 23 VAL HB A 22 GLY HA3 1.0 1.6 5.28 544 514 A 22 GLY H A 23 VAL H 1.0 1.6 3.15 545 515 A 22 GLY H A 23 VAL HB 1.0 1.6 4.44 546 516 A 22 GLY H A 23 VAL HA 1.0 1.6 5.50 547 517 A 23 VAL H A 23 VAL HB 1.0 1.6 3.20 548 518 A 23 VAL HA A 24 ASN H 1.0 1.6 2.80 549 519 A 23 VAL HA A 24 ASN HB2 1.0 1.6 4.49 550 520 A 23 VAL HA A 24 ASN HB3 1.0 1.6 4.70 551 521 A 23 VAL HA A 24 ASN HA 1.0 1.6 4.38 552 522 A 23 VAL HB A 24 ASN H 1.0 1.6 4.77 553 523 A 23 VAL H A 24 ASN H 1.0 1.6 4.56 554 524 A 23 VAL HA A 27 LYS HB3 1.0 1.6 5.50 555 525 A 23 VAL HA A 27 LYS HG2 1.0 1.6 5.31 556 526 A 23 VAL HA A 27 LYS HB2 1.0 1.6 5.22 557 527 A 23 VAL HB A 28 ARG HD3 1.0 1.6 5.11 558 528 A 23 VAL HB A 28 ARG HG3 1.0 1.6 4.70 559 529 A 23 VAL HB A 28 ARG H 1.0 1.6 5.50 560 530 A 23 VAL HB A 28 ARG HD2 1.0 1.6 5.49 561 531 A 23 VAL H A 28 ARG HD2 1.0 1.6 5.50 562 532 A 24 ASN HA A 24 ASN HD21 1.0 1.6 5.27 563 533 A 24 ASN HA A 24 ASN HD22 1.0 1.6 4.50 564 534 A 24 ASN HB2 A 24 ASN HD22 1.0 1.6 4.06 565 535 A 24 ASN HB3 A 24 ASN HD22 1.0 1.6 4.05 566 536 A 24 ASN H A 24 ASN HD22 1.0 1.6 5.50 567 537 A 24 ASN H A 24 ASN HB2 1.0 1.6 3.28 568 538 A 24 ASN H A 24 ASN HB3 1.0 1.6 3.30 569 539 A 24 ASN HA A 25 ILE HA 1.0 1.6 4.69 570 540 A 24 ASN HA A 25 ILE H 1.0 1.6 2.84 571 541 A 24 ASN HB2 A 25 ILE H 1.0 1.6 4.00 572 542 A 24 ASN HB3 A 25 ILE H 1.0 1.6 3.94 573 543 A 24 ASN HD21 A 25 ILE H 1.0 1.6 5.43 574 544 A 24 ASN HD22 A 25 ILE H 1.0 1.6 5.06 575 545 A 24 ASN H A 25 ILE H 1.0 1.6 4.66 576 546 A 24 ASN HA A 26 VAL H 1.0 1.6 4.46 577 547 A 24 ASN HB2 A 26 VAL H 1.0 1.6 4.54 578 548 A 24 ASN HB3 A 26 VAL H 1.0 1.6 4.66 579 549 A 24 ASN HD21 A 26 VAL H 1.0 1.6 5.23 580 550 A 24 ASN HD21 A 26 VAL HA 1.0 1.6 5.50 581 551 A 24 ASN HD21 A 26 VAL HB 1.0 1.6 5.50 582 552 A 24 ASN HA A 27 LYS H 1.0 1.6 5.50 583 553 A 24 ASN HB2 A 27 LYS H 1.0 1.6 4.92 584 554 A 24 ASN HB2 A 27 LYS HB2 1.0 1.6 4.59 585 555 A 24 ASN HB2 A 27 LYS HG2 1.0 1.6 5.06 586 556 A 24 ASN HB3 A 27 LYS H 1.0 1.6 4.35 587 557 A 24 ASN HB3 A 27 LYS HB2 1.0 1.6 4.28 588 558 A 24 ASN HB3 A 27 LYS HG2 1.0 1.6 4.31 589 559 A 24 ASN HB3 A 27 LYS HA 1.0 1.6 4.98 590 560 A 27 LYS H A 24 ASN HD21 1.0 1.6 4.70 591 561 A 27 LYS HG2 A 24 ASN HD21 1.0 1.6 5.23 592 562 A 27 LYS HB2 A 24 ASN HD22 1.0 1.6 5.50 593 563 A 27 LYS HG3 A 24 ASN HD22 1.0 1.6 5.50 594 564 A 27 LYS HG2 A 24 ASN HD22 1.0 1.6 5.43 595 565 A 24 ASN H A 27 LYS HB2 1.0 1.6 4.52 596 566 A 24 ASN H A 27 LYS HG2 1.0 1.6 5.04 597 567 A 24 ASN H A 27 LYS HB3 1.0 1.6 5.23 598 568 A 24 ASN H A 28 ARG H 1.0 1.6 5.50 599 569 A 25 ILE HA A 25 ILE HG13 1.0 1.6 3.61 600 570 A 25 ILE HA A 25 ILE HG12 1.0 1.6 3.84 601 571 A 25 ILE HA A 25 ILE HB 1.0 1.6 2.89 602 572 A 25 ILE H A 25 ILE HG13 1.0 1.6 4.33 603 573 A 25 ILE H A 25 ILE HB 1.0 1.6 3.02 604 574 A 26 VAL H A 25 ILE HB 1.0 1.6 3.83 605 575 A 26 VAL H A 25 ILE HG12 1.0 1.6 5.50 606 576 A 26 VAL H A 25 ILE HG13 1.0 1.6 5.05 607 577 A 25 ILE H A 26 VAL HB 1.0 1.6 5.50 608 578 A 25 ILE H A 26 VAL H 1.0 1.6 3.58 609 579 A 28 ARG H A 25 ILE HA 1.0 1.6 3.69 610 580 A 28 ARG HE A 25 ILE HA 1.0 1.6 5.07 611 581 A 28 ARG HB3 A 25 ILE HA 1.0 1.6 3.90 612 582 A 28 ARG HB2 A 25 ILE HA 1.0 1.6 3.89 613 583 A 28 ARG HG2 A 25 ILE HA 1.0 1.6 4.81 614 584 A 28 ARG HD2 A 25 ILE HA 1.0 1.6 5.43 615 585 A 28 ARG HD3 A 25 ILE HA 1.0 1.6 4.56 616 586 A 28 ARG HD3 A 25 ILE HB 1.0 1.6 5.50 617 587 A 25 ILE HG12 A 29 LYS H 1.0 1.6 5.50 618 588 A 25 ILE HG13 A 29 LYS H 1.0 1.6 5.30 619 589 A 26 VAL H A 26 VAL HB 1.0 1.6 2.91 620 590 A 27 LYS HA A 26 VAL HA 1.0 1.6 5.50 621 591 A 27 LYS H A 26 VAL HB 1.0 1.6 3.29 622 592 A 27 LYS HG3 A 26 VAL HB 1.0 1.6 5.37 623 593 A 26 VAL HA A 29 LYS H 1.0 1.6 3.87 624 594 A 26 VAL HA A 29 LYS HG2 1.0 1.6 5.23 625 595 A 26 VAL HA A 30 LEU H 1.0 1.6 4.75 626 596 A 27 LYS HG2 A 27 LYS HA 1.0 1.6 3.92 627 597 A 27 LYS HG3 A 27 LYS HA 1.0 1.6 3.80 628 598 A 27 LYS HB2 A 27 LYS H 1.0 1.6 3.22 629 599 A 27 LYS HG2 A 27 LYS H 1.0 1.6 3.40 630 600 A 27 LYS HG3 A 27 LYS H 1.0 1.6 3.89 631 601 A 27 LYS HB3 A 27 LYS H 1.0 1.6 3.67 632 602 A 27 LYS HB3 A 28 ARG H 1.0 1.6 4.29 633 603 A 27 LYS HG3 A 28 ARG H 1.0 1.6 5.50 634 604 A 27 LYS H A 28 ARG H 1.0 1.6 3.14 635 605 A 28 ARG HA A 27 LYS H 1.0 1.6 5.17 636 606 A 27 LYS HA A 30 LEU H 1.0 1.6 3.91 637 607 A 27 LYS HA A 30 LEU HBx 1.0 1.6 3.07 638 608 A 27 LYS HB3 A 30 LEU H 1.0 1.6 5.50 639 609 A 27 LYS H A 30 LEU H 1.0 1.6 5.35 640 610 A 28 ARG HG2 A 28 ARG HA 1.0 1.6 3.70 641 611 A 28 ARG HA A 28 ARG HG3 1.0 1.6 3.32 642 612 A 28 ARG HD3 A 28 ARG HA 1.0 1.6 5.04 643 613 A 28 ARG HD2 A 28 ARG HA 1.0 1.6 5.47 644 614 A 28 ARG HE A 28 ARG HB2 1.0 1.6 4.29 645 615 A 28 ARG HE A 28 ARG HB3 1.0 1.6 4.59 646 616 A 28 ARG HB3 A 28 ARG H 1.0 1.6 3.63 647 617 A 28 ARG HB2 A 28 ARG H 1.0 1.6 3.35 648 618 A 28 ARG HD3 A 28 ARG H 1.0 1.6 5.50 649 619 A 28 ARG HG2 A 28 ARG H 1.0 1.6 4.17 650 620 A 28 ARG HB2 A 29 LYS HA 1.0 1.6 4.80 651 621 A 28 ARG HB2 A 29 LYS H 1.0 1.6 4.42 652 622 A 28 ARG HG3 A 29 LYS H 1.0 1.6 5.02 653 623 A 28 ARG H A 29 LYS H 1.0 1.6 3.36 654 624 A 28 ARG HA A 30 LEU H 1.0 1.6 4.69 655 625 A 28 ARG H A 30 LEU H 1.0 1.6 4.86 656 626 A 28 ARG HA A 31 ALA H 1.0 1.6 4.17 657 627 A 32 ALA H A 28 ARG HA 1.0 1.6 5.02 658 628 A 29 LYS HG2 A 29 LYS HA 1.0 1.6 3.47 659 629 A 29 LYS HA A 29 LYS HG3 1.0 1.6 3.30 660 630 A 29 LYS H A 29 LYS HG2 1.0 1.6 3.34 661 631 A 29 LYS H A 29 LYS HG3 1.0 1.6 3.81 662 632 A 29 LYS HG2 A 30 LEU H 1.0 1.6 5.50 663 633 A 29 LYS H A 30 LEU H 1.0 1.6 3.19 664 634 A 29 LYS H A 30 LEU HBx 1.0 1.6 5.13 665 635 A 29 LYS H A 30 LEU HG 1.0 1.6 5.50 666 636 A 29 LYS HA A 31 ALA H 1.0 1.6 4.79 667 637 A 29 LYS H A 31 ALA H 1.0 1.6 5.41 668 638 A 32 ALA H A 29 LYS HA 1.0 1.6 4.05 669 639 A 29 LYS HA A 33 HIS HD2 1.0 1.6 3.57 670 640 A 29 LYS H A 33 HIS HD2 1.0 1.6 5.50 671 641 A 30 LEU H A 30 LEU HBy 1.0 1.6 3.46 672 642 A 30 LEU H A 30 LEU HBx 1.0 1.6 3.36 673 643 A 30 LEU H A 30 LEU HG 1.0 1.6 3.73 674 644 A 31 ALA H A 30 LEU HBy 1.0 1.6 3.81 675 645 A 30 LEU HBx A 31 ALA H 1.0 1.6 3.96 676 646 A 31 ALA H A 30 LEU HG 1.0 1.6 5.18 677 647 A 30 LEU H A 31 ALA H 1.0 1.6 3.13 678 648 A 32 ALA H A 30 LEU HBy 1.0 1.6 4.74 679 649 A 32 ALA H A 30 LEU HBx 1.0 1.6 4.82 680 650 A 32 ALA H A 30 LEU H 1.0 1.6 3.99 681 651 A 33 HIS HB2 A 30 LEU HA 1.0 1.6 5.37 682 652 A 33 HIS HB3 A 30 LEU HA 1.0 1.6 4.72 683 653 A 30 LEU HA A 33 HIS H 1.0 1.6 4.97 684 654 A 30 LEU HBx A 33 HIS H 1.0 1.6 5.38 685 655 A 32 ALA H A 31 ALA H 1.0 1.6 3.51 686 656 A 32 ALA HA A 31 ALA H 1.0 1.6 5.36 687 657 A 33 HIS H A 31 ALA HA 1.0 1.6 5.50 688 658 A 31 ALA H A 33 HIS H 1.0 1.6 5.49 689 659 A 34 ASP HB2 A 31 ALA HA 1.0 1.6 3.46 690 660 A 31 ALA HA A 55 PHE HZ 1.0 1.6 4.01 691 661 A 32 ALA HA A 33 HIS HA 1.0 1.6 5.16 692 662 A 32 ALA H A 33 HIS H 1.0 1.6 3.22 693 663 A 32 ALA H A 33 HIS HA 1.0 1.6 5.21 694 664 A 33 HIS HD2 A 33 HIS HB3 1.0 1.6 3.25 695 665 A 33 HIS HB3 A 33 HIS H 1.0 1.6 3.50 696 666 A 33 HIS HB2 A 33 HIS H 1.0 1.6 3.86 697 667 A 33 HIS HD2 A 33 HIS H 1.0 1.6 4.01 698 668 A 34 ASP H A 33 HIS HA 1.0 1.6 3.13 699 669 A 33 HIS HA A 34 ASP HA 1.0 1.6 5.30 700 670 A 34 ASP H A 33 HIS HB2 1.0 1.6 4.43 701 671 A 34 ASP H A 33 HIS HB3 1.0 1.6 5.50 702 672 A 34 ASP H A 33 HIS H 1.0 1.6 3.33 703 673 A 33 HIS HA A 35 ASN HD22 1.0 1.6 5.50 704 674 A 35 ASN H A 33 HIS HA 1.0 1.6 3.80 705 675 A 33 HIS HB2 A 35 ASN HD22 1.0 1.6 5.50 706 676 A 33 HIS HB2 A 35 ASN HD21 1.0 1.6 5.50 707 677 A 35 ASN H A 33 HIS HB2 1.0 1.6 5.50 708 678 A 35 ASN H A 33 HIS H 1.0 1.6 4.96 709 679 A 34 ASP H A 34 ASP HB2 1.0 1.6 3.34 710 680 A 34 ASP H A 34 ASP HB3 1.0 1.6 3.91 711 681 A 34 ASP H A 35 ASN H 1.0 1.6 3.16 712 682 A 34 ASP H A 35 ASN HD21 1.0 1.6 4.82 713 683 A 35 ASN HA A 34 ASP H 1.0 1.6 4.91 714 684 A 36 LEU H A 34 ASP HA 1.0 1.6 5.23 715 685 A 36 LEU H A 34 ASP HB3 1.0 1.6 5.21 716 686 A 34 ASP H A 36 LEU H 1.0 1.6 4.84 717 687 A 34 ASP H A 36 LEU HBy 1.0 1.6 5.50 718 688 A 34 ASP HB3 A 53 SER HB2 1.0 1.6 4.49 719 689 A 34 ASP HB3 A 53 SER HB3 1.0 1.6 3.88 720 690 A 34 ASP HB3 A 53 SER HA 1.0 1.6 4.88 721 691 A 34 ASP HA A 54 ALA H 1.0 1.6 3.87 722 692 A 34 ASP HB2 A 54 ALA H 1.0 1.6 4.39 723 693 A 34 ASP HB3 A 54 ALA H 1.0 1.6 4.43 724 694 A 34 ASP H A 54 ALA H 1.0 1.6 5.27 725 695 A 35 ASN HA A 35 ASN HD22 1.0 1.6 5.29 726 696 A 35 ASN HD22 A 35 ASN HB2 1.0 1.6 4.09 727 697 A 35 ASN HD22 A 35 ASN HB3 1.0 1.6 3.55 728 698 A 35 ASN HD21 A 35 ASN HB3 1.0 1.6 4.04 729 699 A 35 ASN HA A 35 ASN H 1.0 1.6 2.85 730 700 A 35 ASN H A 35 ASN HB2 1.0 1.6 4.12 731 701 A 35 ASN H A 35 ASN HD21 1.0 1.6 5.44 732 702 A 35 ASN H A 35 ASN HB3 1.0 1.6 3.87 733 703 A 35 ASN HA A 36 LEU H 1.0 1.6 3.49 734 704 A 36 LEU H A 35 ASN HB2 1.0 1.6 4.43 735 705 A 36 LEU H A 35 ASN HB3 1.0 1.6 4.74 736 706 A 35 ASN H A 36 LEU H 1.0 1.6 3.50 737 707 A 53 SER HA A 35 ASN HB2 1.0 1.6 5.41 738 708 A 53 SER HA A 35 ASN HB3 1.0 1.6 4.87 739 709 A 54 ALA H A 35 ASN HB3 1.0 1.6 4.40 740 710 A 36 LEU HA A 36 LEU HG 1.0 1.6 3.98 741 711 A 36 LEU H A 36 LEU HBx 1.0 1.6 3.24 742 712 A 36 LEU H A 36 LEU HBy 1.0 1.6 3.39 743 713 A 36 LEU HA A 37 LYS HB2 1.0 1.6 5.48 744 714 A 37 LYS H A 36 LEU HA 1.0 1.6 3.12 745 715 A 37 LYS H A 36 LEU HBx 1.0 1.6 5.02 746 716 A 37 LYS H A 36 LEU HG 1.0 1.6 5.02 747 717 A 37 LYS H A 36 LEU H 1.0 1.6 4.50 748 718 A 36 LEU HG A 51 GLU HB3 1.0 1.6 5.50 749 719 A 36 LEU HG A 51 GLU HG2 1.0 1.6 4.09 750 720 A 36 LEU HA A 53 SER HB3 1.0 1.6 4.13 751 721 A 36 LEU HA A 53 SER HA 1.0 1.6 4.04 752 722 A 36 LEU H A 53 SER HA 1.0 1.6 4.87 753 723 A 37 LYS HG3 A 37 LYS HA 1.0 1.6 3.84 754 724 A 37 LYS H A 37 LYS HB3 1.0 1.6 3.86 755 725 A 37 LYS H A 37 LYS HB2 1.0 1.6 3.80 756 726 A 38 LEU H A 37 LYS HA 1.0 1.6 2.98 757 727 A 38 LEU H A 37 LYS HB3 1.0 1.6 4.82 758 728 A 38 LEU H A 37 LYS HG2 1.0 1.6 4.24 759 729 A 38 LEU H A 37 LYS HG3 1.0 1.6 4.63 760 730 A 37 LYS HB2 A 52 SER H 1.0 1.6 4.79 761 731 A 37 LYS HB2 A 52 SER HB2 1.0 1.6 4.10 762 732 A 37 LYS HB2 A 52 SER HB3 1.0 1.6 3.79 763 733 A 52 SER H A 37 LYS HB3 1.0 1.6 5.27 764 734 A 37 LYS H A 52 SER H 1.0 1.6 4.50 765 735 A 37 LYS H A 52 SER HB2 1.0 1.6 4.77 766 736 A 37 LYS H A 52 SER HB3 1.0 1.6 4.90 767 737 A 37 LYS H A 53 SER HB3 1.0 1.6 5.50 768 738 A 37 LYS H A 53 SER HA 1.0 1.6 4.27 769 739 A 38 LEU H A 38 LEU HBy 1.0 1.6 4.07 770 740 A 38 LEU H A 38 LEU HBx 1.0 1.6 3.90 771 741 A 38 LEU H A 38 LEU HG 1.0 1.6 4.32 772 742 A 38 LEU HA A 39 THR H 1.0 1.6 3.23 773 743 A 38 LEU HA A 39 THR HB 1.0 1.6 5.42 774 744 A 38 LEU HBx A 39 THR H 1.0 1.6 4.17 775 745 A 38 LEU HBy A 39 THR H 1.0 1.6 4.82 776 746 A 38 LEU HG A 39 THR H 1.0 1.6 5.50 777 747 A 38 LEU H A 39 THR H 1.0 1.6 4.63 778 748 A 39 THR HA A 38 LEU H 1.0 1.6 5.50 779 749 A 38 LEU HA A 51 GLU HA 1.0 1.6 4.54 780 750 A 38 LEU HBx A 51 GLU HA 1.0 1.6 5.50 781 751 A 51 GLU HG3 A 38 LEU HG 1.0 1.6 5.50 782 752 A 39 THR H A 39 THR HB 1.0 1.6 4.18 783 753 A 40 ILE HB A 39 THR HA 1.0 1.6 4.75 784 754 A 40 ILE H A 39 THR HA 1.0 1.6 3.18 785 755 A 40 ILE H A 39 THR HB 1.0 1.6 5.35 786 756 A 40 ILE H A 39 THR H 1.0 1.6 4.94 787 757 A 39 THR HB A 49 VAL HA 1.0 1.6 4.02 788 758 A 39 THR HB A 50 LYS HB2 1.0 1.6 3.28 789 759 A 39 THR HB A 50 LYS HB3 1.0 1.6 3.54 790 760 A 39 THR HB A 50 LYS H 1.0 1.6 3.70 791 761 A 39 THR HB A 50 LYS HG3 1.0 1.6 5.43 792 762 A 39 THR HB A 50 LYS HA 1.0 1.6 5.05 793 763 A 40 ILE HG13 A 40 ILE H 1.0 1.6 4.55 794 764 A 40 ILE HB A 40 ILE H 1.0 1.6 3.70 795 765 A 40 ILE H A 40 ILE HG12 1.0 1.6 3.54 796 766 A 40 ILE HA A 41 THR H 1.0 1.6 3.10 797 767 A 40 ILE HB A 41 THR H 1.0 1.6 4.83 798 768 A 40 ILE HA A 49 VAL H 1.0 1.6 5.50 799 769 A 40 ILE HA A 50 LYS H 1.0 1.6 4.35 800 770 A 41 THR H A 41 THR HB 1.0 1.6 3.72 801 771 A 42 GLN HB2 A 41 THR HA 1.0 1.6 5.50 802 772 A 42 GLN HB3 A 41 THR HA 1.0 1.6 4.84 803 773 A 42 GLN H A 41 THR HA 1.0 1.6 3.12 804 774 A 42 GLN H A 41 THR HB 1.0 1.6 4.10 805 775 A 42 GLN H A 41 THR H 1.0 1.6 4.42 806 776 A 42 GLN HB2 A 41 THR H 1.0 1.6 4.64 807 777 A 48 THR H A 41 THR HB 1.0 1.6 4.63 808 778 A 41 THR H A 48 THR H 1.0 1.6 4.01 809 779 A 41 THR H A 49 VAL H 1.0 1.6 5.50 810 780 A 49 VAL HA A 41 THR H 1.0 1.6 4.45 811 781 A 50 LYS H A 41 THR H 1.0 1.6 5.50 812 782 A 42 GLN HG2 A 42 GLN HA 1.0 1.6 3.96 813 783 A 42 GLN HB2 A 42 GLN HE21 1.0 1.6 5.50 814 784 A 42 GLN HB3 A 42 GLN HE21 1.0 1.6 5.50 815 785 A 42 GLN HG2 A 42 GLN HE21 1.0 1.6 4.07 816 786 A 42 GLN HE21 A 42 GLN HG3 1.0 1.6 4.09 817 787 A 42 GLN HB2 A 42 GLN H 1.0 1.6 3.76 818 788 A 42 GLN H A 42 GLN HG3 1.0 1.6 5.08 819 789 A 42 GLN H A 42 GLN HB3 1.0 1.6 3.96 820 790 A 42 GLN HA A 43 GLU H 1.0 1.6 3.18 821 791 A 42 GLN HB2 A 43 GLU H 1.0 1.6 4.57 822 792 A 42 GLN HB3 A 43 GLU H 1.0 1.6 4.67 823 793 A 42 GLN HE21 A 43 GLU H 1.0 1.6 5.30 824 794 A 42 GLN HG2 A 43 GLU H 1.0 1.6 5.00 825 795 A 42 GLN HG3 A 43 GLU H 1.0 1.6 3.95 826 796 A 42 GLN H A 43 GLU H 1.0 1.6 5.50 827 797 A 42 GLN HE21 A 44 GLY H 1.0 1.6 5.20 828 798 A 42 GLN HG2 A 44 GLY H 1.0 1.6 4.12 829 799 A 42 GLN HG2 A 44 GLY HA3 1.0 1.6 5.50 830 800 A 42 GLN HG3 A 44 GLY H 1.0 1.6 4.89 831 801 A 42 GLN HE21 A 45 ASN HA 1.0 1.6 5.50 832 802 A 42 GLN HE22 A 45 ASN HA 1.0 1.6 5.50 833 803 A 42 GLN HG2 A 45 ASN H 1.0 1.6 4.76 834 804 A 42 GLN HG3 A 45 ASN H 1.0 1.6 5.50 835 805 A 42 GLN HA A 46 LYS H 1.0 1.6 5.09 836 806 A 42 GLN HA A 46 LYS HG2 1.0 1.6 5.50 837 807 A 42 GLN HG2 A 46 LYS H 1.0 1.6 3.31 838 808 A 42 GLN HG3 A 46 LYS H 1.0 1.6 5.50 839 809 A 42 GLN HA A 47 PHE H 1.0 1.6 5.50 840 810 A 42 GLN HA A 47 PHE HB3 1.0 1.6 5.50 841 811 A 47 PHE HA A 42 GLN HA 1.0 1.6 4.08 842 812 A 42 GLN HB2 A 47 PHE HA 1.0 1.6 3.93 843 813 A 47 PHE HA A 42 GLN HG3 1.0 1.6 5.19 844 814 A 48 THR H A 42 GLN HA 1.0 1.6 4.28 845 815 A 42 GLN HE21 A 64 LEU HG 1.0 1.6 5.50 846 816 A 42 GLN HE22 A 64 LEU HG 1.0 1.6 5.43 847 817 A 43 GLU HA A 43 GLU HG3 1.0 1.6 3.55 848 818 A 43 GLU HG3 A 43 GLU HB3 1.0 1.6 2.90 849 819 A 43 GLU H A 43 GLU HB2 1.0 1.6 3.38 850 820 A 44 GLY H A 43 GLU HA 1.0 1.6 3.10 851 821 A 44 GLY HA3 A 43 GLU HA 1.0 1.6 4.71 852 822 A 44 GLY H A 43 GLU HB2 1.0 1.6 4.27 853 823 A 44 GLY H A 43 GLU HB3 1.0 1.6 5.04 854 824 A 44 GLY H A 43 GLU HG2 1.0 1.6 5.50 855 825 A 43 GLU H A 44 GLY H 1.0 1.6 4.54 856 826 A 46 LYS H A 43 GLU HA 1.0 1.6 5.50 857 827 A 43 GLU H A 46 LYS H 1.0 1.6 4.32 858 828 A 47 PHE HA A 43 GLU H 1.0 1.6 4.41 859 829 A 44 GLY HA3 A 45 ASN H 1.0 1.6 3.11 860 830 A 44 GLY HA3 A 45 ASN HA 1.0 1.6 4.65 861 831 A 44 GLY HA3 A 45 ASN HB2 1.0 1.6 5.50 862 832 A 44 GLY H A 45 ASN H 1.0 1.6 4.37 863 833 A 44 GLY HA3 A 46 LYS H 1.0 1.6 4.05 864 834 A 44 GLY H A 46 LYS H 1.0 1.6 5.12 865 835 A 45 ASN HA A 45 ASN HD22 1.0 1.6 5.50 866 836 A 45 ASN HA A 45 ASN HD21 1.0 1.6 5.50 867 837 A 45 ASN HA A 45 ASN HB3 1.0 1.6 2.92 868 838 A 45 ASN HB2 A 45 ASN HD22 1.0 1.6 4.01 869 839 A 45 ASN HD22 A 45 ASN HB3 1.0 1.6 3.78 870 840 A 45 ASN H A 45 ASN HB2 1.0 1.6 3.73 871 841 A 45 ASN H A 45 ASN HB3 1.0 1.6 3.66 872 842 A 46 LYS H A 45 ASN HB2 1.0 1.6 4.57 873 843 A 45 ASN HB2 A 46 LYS HG3 1.0 1.6 4.38 874 844 A 45 ASN H A 46 LYS HB2 1.0 1.6 4.77 875 845 A 45 ASN H A 46 LYS H 1.0 1.6 3.10 876 846 A 45 ASN HA A 64 LEU HG 1.0 1.6 3.47 877 847 A 45 ASN HB2 A 64 LEU H 1.0 1.6 4.16 878 848 A 45 ASN HB2 A 64 LEU HBx 1.0 1.6 5.17 879 849 A 45 ASN HB2 A 64 LEU HBy 1.0 1.6 4.05 880 850 A 64 LEU HG A 45 ASN HB2 1.0 1.6 4.04 881 851 A 45 ASN HB3 A 64 LEU H 1.0 1.6 4.45 882 852 A 45 ASN HB3 A 64 LEU HBy 1.0 1.6 3.95 883 853 A 45 ASN HB3 A 64 LEU HBx 1.0 1.6 5.50 884 854 A 64 LEU HG A 45 ASN HB3 1.0 1.6 4.08 885 855 A 64 LEU HG A 45 ASN HD22 1.0 1.6 5.50 886 856 A 46 LYS HG3 A 46 LYS HA 1.0 1.6 3.91 887 857 A 46 LYS H A 46 LYS HG2 1.0 1.6 4.59 888 858 A 46 LYS H A 46 LYS HG3 1.0 1.6 4.63 889 859 A 46 LYS H A 46 LYS HB2 1.0 1.6 3.55 890 860 A 46 LYS HA A 47 PHE HB2 1.0 1.6 4.86 891 861 A 47 PHE H A 46 LYS HA 1.0 1.6 3.12 892 862 A 47 PHE H A 46 LYS HB2 1.0 1.6 4.49 893 863 A 47 PHE H A 46 LYS HB3 1.0 1.6 4.52 894 864 A 46 LYS HG2 A 47 PHE H 1.0 1.6 4.38 895 865 A 47 PHE HA A 46 LYS HG2 1.0 1.6 4.81 896 866 A 47 PHE H A 46 LYS HG3 1.0 1.6 4.95 897 867 A 46 LYS H A 47 PHE H 1.0 1.6 4.54 898 868 A 46 LYS H A 47 PHE HB2 1.0 1.6 5.02 899 869 A 46 LYS HA A 63 GLU HA 1.0 1.6 3.33 900 870 A 46 LYS HB2 A 63 GLU HA 1.0 1.6 3.67 901 871 A 46 LYS HB3 A 63 GLU HA 1.0 1.6 4.99 902 872 A 46 LYS H A 63 GLU HA 1.0 1.6 5.41 903 873 A 64 LEU H A 46 LYS HA 1.0 1.6 4.14 904 874 A 47 PHE H A 47 PHE HB3 1.0 1.6 3.74 905 875 A 47 PHE H A 47 PHE HB2 1.0 1.6 4.07 906 876 A 47 PHE HA A 48 THR H 1.0 1.6 3.19 907 877 A 48 THR H A 47 PHE HB2 1.0 1.6 4.13 908 878 A 48 THR H A 47 PHE H 1.0 1.6 4.75 909 879 A 47 PHE H A 62 PHE H 1.0 1.6 4.25 910 880 A 48 THR H A 48 THR HB 1.0 1.6 3.62 911 881 A 49 VAL H A 48 THR HB 1.0 1.6 4.99 912 882 A 48 THR H A 49 VAL H 1.0 1.6 4.73 913 883 A 49 VAL H A 49 VAL HB 1.0 1.6 3.72 914 884 A 49 VAL HA A 50 LYS H 1.0 1.6 3.28 915 885 A 50 LYS H A 49 VAL H 1.0 1.6 4.94 916 886 A 60 VAL H A 49 VAL HB 1.0 1.6 5.29 917 887 A 49 VAL H A 60 VAL HB 1.0 1.6 4.77 918 888 A 49 VAL H A 61 VAL H 1.0 1.6 5.50 919 889 A 49 VAL H A 61 VAL HA 1.0 1.6 4.04 920 890 A 49 VAL H A 62 PHE H 1.0 1.6 5.44 921 891 A 50 LYS H A 50 LYS HG2 1.0 1.6 4.80 922 892 A 50 LYS HB2 A 50 LYS H 1.0 1.6 3.63 923 893 A 50 LYS HB3 A 50 LYS H 1.0 1.6 3.60 924 894 A 50 LYS H A 50 LYS HG3 1.0 1.6 4.62 925 895 A 51 GLU H A 50 LYS HA 1.0 1.6 3.50 926 896 A 51 GLU H A 50 LYS HB3 1.0 1.6 5.50 927 897 A 50 LYS HA A 59 GLU HG3 1.0 1.6 5.40 928 898 A 50 LYS HA A 59 GLU HA 1.0 1.6 3.38 929 899 A 59 GLU HA A 50 LYS HG2 1.0 1.6 5.50 930 900 A 50 LYS HG3 A 59 GLU HG2 1.0 1.6 5.42 931 901 A 50 LYS H A 59 GLU HA 1.0 1.6 4.99 932 902 A 50 LYS HA A 60 VAL H 1.0 1.6 4.89 933 903 A 50 LYS HB2 A 60 VAL H 1.0 1.6 5.45 934 904 A 51 GLU HG2 A 51 GLU HA 1.0 1.6 4.15 935 905 A 51 GLU HA A 52 SER H 1.0 1.6 3.25 936 906 A 51 GLU HA A 52 SER HB3 1.0 1.6 4.97 937 907 A 51 GLU HA A 52 SER HA 1.0 1.6 5.50 938 908 A 51 GLU HG3 A 52 SER H 1.0 1.6 4.94 939 909 A 51 GLU HB2 A 57 ASN HA 1.0 1.6 5.49 940 910 A 51 GLU H A 59 GLU HA 1.0 1.6 5.19 941 911 A 52 SER HB2 A 52 SER H 1.0 1.6 3.57 942 912 A 52 SER H A 52 SER HB3 1.0 1.6 3.45 943 913 A 52 SER HA A 53 SER H 1.0 1.6 3.07 944 914 A 53 SER HA A 52 SER HB2 1.0 1.6 4.90 945 915 A 52 SER HB2 A 53 SER H 1.0 1.6 4.08 946 916 A 52 SER HB3 A 53 SER H 1.0 1.6 4.38 947 917 A 52 SER HA A 56 ARG H 1.0 1.6 5.49 948 918 A 52 SER HA A 57 ASN HA 1.0 1.6 3.40 949 919 A 52 SER HB2 A 57 ASN HA 1.0 1.6 4.77 950 920 A 52 SER HB3 A 57 ASN HA 1.0 1.6 4.75 951 921 A 53 SER HA A 54 ALA H 1.0 1.6 3.27 952 922 A 53 SER HA A 54 ALA HA 1.0 1.6 4.84 953 923 A 53 SER HB2 A 54 ALA H 1.0 1.6 3.73 954 924 A 53 SER HB3 A 54 ALA H 1.0 1.6 4.19 955 925 A 55 PHE H A 53 SER HA 1.0 1.6 4.89 956 926 A 55 PHE H A 53 SER HB2 1.0 1.6 4.69 957 927 A 55 PHE H A 53 SER H 1.0 1.6 4.74 958 928 A 53 SER HA A 56 ARG H 1.0 1.6 4.96 959 929 A 53 SER HB3 A 56 ARG H 1.0 1.6 5.50 960 930 A 53 SER H A 56 ARG H 1.0 1.6 3.88 961 931 A 57 ASN HA A 53 SER H 1.0 1.6 4.16 962 932 A 55 PHE H A 54 ALA H 1.0 1.6 3.93 963 933 A 56 ARG H A 54 ALA HA 1.0 1.6 5.50 964 934 A 55 PHE H A 55 PHE HB2 1.0 1.6 4.16 965 935 A 55 PHE H A 55 PHE HB3 1.0 1.6 3.81 966 936 A 55 PHE HB2 A 56 ARG H 1.0 1.6 4.27 967 937 A 55 PHE HB2 A 56 ARG HG2 1.0 1.6 5.28 968 938 A 55 PHE HB3 A 56 ARG HG2 1.0 1.6 5.50 969 939 A 55 PHE HB3 A 56 ARG H 1.0 1.6 4.46 970 940 A 55 PHE H A 56 ARG H 1.0 1.6 3.33 971 941 A 55 PHE H A 56 ARG HG2 1.0 1.6 5.20 972 942 A 56 ARG H A 56 ARG HG2 1.0 1.6 4.18 973 943 A 56 ARG H A 56 ARG HG3 1.0 1.6 4.55 974 944 A 56 ARG HA A 57 ASN H 1.0 1.6 3.28 975 945 A 57 ASN HA A 56 ARG HA 1.0 1.6 4.71 976 946 A 56 ARG HB2 A 57 ASN H 1.0 1.6 4.54 977 947 A 57 ASN H A 56 ARG HB3 1.0 1.6 4.61 978 948 A 57 ASN HA A 56 ARG HG2 1.0 1.6 5.50 979 949 A 56 ARG H A 57 ASN H 1.0 1.6 4.94 980 950 A 57 ASN HA A 58 ILE H 1.0 1.6 3.10 981 951 A 57 ASN HA A 58 ILE HA 1.0 1.6 5.13 982 952 A 57 ASN H A 58 ILE H 1.0 1.6 5.50 983 953 A 58 ILE HA A 59 GLU H 1.0 1.6 3.47 984 954 A 58 ILE HB A 59 GLU H 1.0 1.6 3.48 985 955 A 59 GLU HA A 59 GLU HG2 1.0 1.6 3.80 986 956 A 59 GLU HG2 A 59 GLU H 1.0 1.6 5.03 987 957 A 59 GLU HA A 60 VAL HA 1.0 1.6 5.20 988 958 A 59 GLU HA A 60 VAL H 1.0 1.6 3.45 989 959 A 59 GLU HG2 A 60 VAL H 1.0 1.6 4.79 990 960 A 59 GLU HG3 A 60 VAL H 1.0 1.6 4.91 991 961 A 59 GLU HG3 A 60 VAL HA 1.0 1.6 5.50 992 962 A 60 VAL H A 60 VAL HB 1.0 1.6 4.17 993 963 A 61 VAL H A 60 VAL HA 1.0 1.6 3.19 994 964 A 60 VAL HB A 61 VAL H 1.0 1.6 4.75 995 965 A 60 VAL H A 61 VAL H 1.0 1.6 5.35 996 966 A 61 VAL H A 61 VAL HB 1.0 1.6 3.49 997 967 A 61 VAL HA A 62 PHE HB3 1.0 1.6 5.50 998 968 A 62 PHE H A 61 VAL HA 1.0 1.6 3.08 999 969 A 62 PHE H A 61 VAL HB 1.0 1.6 4.58 1000 970 A 62 PHE H A 61 VAL H 1.0 1.6 4.82 1001 971 A 62 PHE HA A 63 GLU HB3 1.0 1.6 5.50 1002 972 A 62 PHE HA A 63 GLU H 1.0 1.6 3.22 1003 973 A 62 PHE HB2 A 63 GLU H 1.0 1.6 4.10 1004 974 A 62 PHE HB3 A 63 GLU H 1.0 1.6 4.18 1005 975 A 62 PHE H A 63 GLU H 1.0 1.6 4.81 1006 976 A 63 GLU H A 63 GLU HB2 1.0 1.6 3.83 1007 977 A 63 GLU HB3 A 63 GLU H 1.0 1.6 3.83 1008 978 A 64 LEU HG A 63 GLU HA 1.0 1.6 4.69 1009 979 A 64 LEU H A 63 GLU HA 1.0 1.6 3.18 1010 980 A 64 LEU H A 63 GLU HB2 1.0 1.6 4.54 1011 981 A 64 LEU H A 63 GLU HB3 1.0 1.6 4.84 1012 982 A 63 GLU HA A 65 GLY H 1.0 1.6 5.50 1013 983 A 63 GLU H A 65 GLY H 1.0 1.6 5.24 1014 984 A 63 GLU HB2 A 66 VAL HB 1.0 1.6 3.56 1015 985 A 63 GLU HB3 A 66 VAL H 1.0 1.6 5.31 1016 986 A 63 GLU HB3 A 66 VAL HB 1.0 1.6 3.61 1017 987 A 63 GLU H A 66 VAL HB 1.0 1.6 4.30 1018 988 A 64 LEU HA A 64 LEU HDx% 1.0 1.6 3.43 1019 988 A 64 LEU HDy% A 64 LEU HA 1.0 1.6 3.43 1020 989 A 64 LEU HBy A 64 LEU HDx% 1.0 1.6 3.86 1021 989 A 64 LEU HBy A 64 LEU HDy% 1.0 1.6 3.86 1022 990 A 64 LEU HBx A 64 LEU HDx% 1.0 1.6 3.80 1023 990 A 64 LEU HBx A 64 LEU HDy% 1.0 1.6 3.80 1024 991 A 64 LEU H A 64 LEU HBy 1.0 1.6 3.85 1025 992 A 64 LEU H A 64 LEU HDx% 1.0 1.6 4.35 1026 992 A 64 LEU H A 64 LEU HDy% 1.0 1.6 4.35 1027 993 A 64 LEU HG A 64 LEU H 1.0 1.6 3.40 1028 994 A 65 GLY H A 64 LEU HA 1.0 1.6 3.25 1029 995 A 64 LEU HA A 65 GLY HA3 1.0 1.6 4.34 1030 996 A 64 LEU HBy A 65 GLY H 1.0 1.6 4.76 1031 997 A 64 LEU HBx A 65 GLY H 1.0 1.6 4.57 1032 998 A 64 LEU HG A 65 GLY H 1.0 1.6 5.04 1033 999 A 64 LEU H A 65 GLY H 1.0 1.6 5.50 1034 1000 A 65 GLY H A 64 LEU HDx% 1.0 1.6 4.10 1035 1000 A 64 LEU HDy% A 65 GLY H 1.0 1.6 4.10 1036 1001 A 66 VAL H A 64 LEU HDx% 1.0 1.6 5.50 1037 1001 A 64 LEU HDy% A 66 VAL H 1.0 1.6 5.50 1038 1002 A 82 TRP H A 64 LEU HDx% 1.0 1.6 5.42 1039 1002 A 64 LEU HDy% A 82 TRP H 1.0 1.6 5.42 1040 1003 A 64 LEU HBy A 83 SER HA 1.0 1.6 4.92 1041 1004 A 83 SER H A 64 LEU HDx% 1.0 1.6 5.50 1042 1004 A 64 LEU HDy% A 83 SER H 1.0 1.6 5.50 1043 1005 A 83 SER HB3 A 64 LEU HDx% 1.0 1.6 5.50 1044 1005 A 64 LEU HDy% A 83 SER HB3 1.0 1.6 5.50 1045 1006 A 83 SER HA A 64 LEU HDx% 1.0 1.6 3.95 1046 1006 A 64 LEU HDy% A 83 SER HA 1.0 1.6 3.95 1047 1007 A 84 LEU H A 64 LEU HDx% 1.0 1.6 4.27 1048 1007 A 64 LEU HDy% A 84 LEU H 1.0 1.6 4.27 1049 1008 A 84 LEU HBy A 64 LEU HDx% 1.0 1.6 5.12 1050 1008 A 64 LEU HDy% A 84 LEU HBy 1.0 1.6 5.12 1051 1009 A 84 LEU HBx A 64 LEU HDx% 1.0 1.6 4.33 1052 1009 A 64 LEU HDy% A 84 LEU HBx 1.0 1.6 4.33 1053 1010 A 65 GLY H A 66 VAL H 1.0 1.6 3.89 1054 1011 A 65 GLY H A 81 THR HB 1.0 1.6 4.19 1055 1012 A 65 GLY H A 82 TRP H 1.0 1.6 4.74 1056 1013 A 65 GLY H A 83 SER HA 1.0 1.6 4.25 1057 1014 A 65 GLY H A 83 SER HB2 1.0 1.6 5.03 1058 1015 A 66 VAL HB A 66 VAL H 1.0 1.6 3.56 1059 1016 A 66 VAL HA A 67 THR H 1.0 1.6 2.69 1060 1017 A 66 VAL HB A 67 THR H 1.0 1.6 5.31 1061 1018 A 66 VAL H A 67 THR H 1.0 1.6 4.42 1062 1019 A 67 THR H A 67 THR HB 1.0 1.6 3.10 1063 1020 A 67 THR HA A 68 PHE H 1.0 1.6 3.09 1064 1021 A 67 THR HA A 68 PHE HA 1.0 1.6 4.64 1065 1022 A 67 THR HB A 68 PHE H 1.0 1.6 4.77 1066 1023 A 67 THR H A 68 PHE H 1.0 1.6 4.64 1067 1024 A 67 THR HA A 80 GLY H 1.0 1.6 5.04 1068 1025 A 81 THR HB A 67 THR H 1.0 1.6 5.50 1069 1026 A 68 PHE HA A 69 ASN H 1.0 1.6 3.28 1070 1027 A 68 PHE HA A 69 ASN HA 1.0 1.6 5.50 1071 1028 A 69 ASN H A 68 PHE HB2 1.0 1.6 3.81 1072 1029 A 69 ASN H A 68 PHE HB3 1.0 1.6 3.95 1073 1030 A 68 PHE H A 69 ASN H 1.0 1.6 5.25 1074 1031 A 68 PHE H A 79 ARG HA 1.0 1.6 5.50 1075 1032 A 68 PHE H A 80 GLY H 1.0 1.6 3.94 1076 1033 A 68 PHE H A 80 GLY HA3 1.0 1.6 5.30 1077 1034 A 68 PHE H A 81 THR HA 1.0 1.6 5.50 1078 1035 A 69 ASN HA A 70 TYR H 1.0 1.6 3.27 1079 1036 A 69 ASN HA A 70 TYR HB3 1.0 1.6 5.36 1080 1037 A 70 TYR HA A 69 ASN HD22 1.0 1.6 4.47 1081 1038 A 69 ASN H A 70 TYR H 1.0 1.6 5.50 1082 1039 A 79 ARG HA A 69 ASN HA 1.0 1.6 3.62 1083 1040 A 79 ARG HG3 A 69 ASN HA 1.0 1.6 5.50 1084 1041 A 79 ARG HG2 A 69 ASN HA 1.0 1.6 4.60 1085 1042 A 79 ARG HG2 A 69 ASN H 1.0 1.6 5.50 1086 1043 A 80 GLY H A 69 ASN HA 1.0 1.6 4.95 1087 1044 A 80 GLY H A 69 ASN H 1.0 1.6 5.50 1088 1045 A 71 ASN H A 70 TYR HA 1.0 1.6 3.42 1089 1046 A 71 ASN H A 70 TYR HB2 1.0 1.6 5.50 1090 1047 A 70 TYR HB2 A 78 LEU HBy 1.0 1.6 5.40 1091 1048 A 70 TYR HB3 A 78 LEU H 1.0 1.6 3.92 1092 1049 A 70 TYR HB3 A 78 LEU HBy 1.0 1.6 5.50 1093 1050 A 70 TYR H A 78 LEU H 1.0 1.6 5.47 1094 1051 A 70 TYR H A 78 LEU HBy 1.0 1.6 5.50 1095 1052 A 79 ARG HA A 70 TYR HB3 1.0 1.6 5.15 1096 1053 A 79 ARG HA A 70 TYR H 1.0 1.6 5.50 1097 1054 A 71 ASN HA A 71 ASN HD22 1.0 1.6 5.27 1098 1055 A 71 ASN H A 71 ASN HD22 1.0 1.6 5.50 1099 1056 A 71 ASN H A 71 ASN HB3 1.0 1.6 4.12 1100 1057 A 71 ASN H A 71 ASN HB2 1.0 1.6 4.16 1101 1058 A 71 ASN HA A 72 LEU HBy 1.0 1.6 5.50 1102 1059 A 72 LEU HG A 71 ASN HA 1.0 1.6 5.21 1103 1060 A 71 ASN HA A 72 LEU H 1.0 1.6 3.44 1104 1061 A 71 ASN HB2 A 72 LEU H 1.0 1.6 4.66 1105 1062 A 71 ASN HB3 A 72 LEU H 1.0 1.6 4.64 1106 1063 A 71 ASN H A 72 LEU H 1.0 1.6 5.42 1107 1064 A 71 ASN HB3 A 75 GLY H 1.0 1.6 5.50 1108 1065 A 71 ASN HA A 76 THR H 1.0 1.6 5.50 1109 1066 A 71 ASN HA A 77 GLU H 1.0 1.6 5.43 1110 1067 A 71 ASN HA A 77 GLU HA 1.0 1.6 3.78 1111 1068 A 71 ASN HB2 A 77 GLU HA 1.0 1.6 4.90 1112 1069 A 71 ASN HB3 A 77 GLU HA 1.0 1.6 5.41 1113 1070 A 77 GLU HB2 A 71 ASN HD21 1.0 1.6 5.50 1114 1071 A 77 GLU HB2 A 71 ASN HD22 1.0 1.6 5.50 1115 1072 A 71 ASN HD22 A 77 GLU HA 1.0 1.6 5.50 1116 1073 A 71 ASN HD22 A 77 GLU HB3 1.0 1.6 5.50 1117 1074 A 71 ASN HA A 78 LEU HBx 1.0 1.6 5.50 1118 1075 A 78 LEU H A 71 ASN HA 1.0 1.6 4.30 1119 1076 A 72 LEU HBy A 72 LEU H 1.0 1.6 4.08 1120 1077 A 72 LEU HG A 72 LEU H 1.0 1.6 3.82 1121 1078 A 72 LEU HA A 73 ALA H 1.0 1.6 3.49 1122 1079 A 73 ALA HA A 72 LEU HA 1.0 1.6 5.50 1123 1080 A 72 LEU HBx A 73 ALA H 1.0 1.6 4.08 1124 1081 A 72 LEU HA A 74 ASP H 1.0 1.6 4.70 1125 1082 A 72 LEU HBx A 74 ASP H 1.0 1.6 4.19 1126 1083 A 72 LEU HBx A 74 ASP HB2 1.0 1.6 4.73 1127 1084 A 72 LEU HBy A 74 ASP H 1.0 1.6 4.60 1128 1085 A 75 GLY H A 72 LEU HBx 1.0 1.6 5.27 1129 1086 A 72 LEU HBy A 75 GLY H 1.0 1.6 4.90 1130 1087 A 72 LEU H A 75 GLY H 1.0 1.6 4.85 1131 1088 A 76 THR H A 72 LEU HBx 1.0 1.6 4.28 1132 1089 A 72 LEU HBx A 76 THR HB 1.0 1.6 4.44 1133 1090 A 72 LEU HBy A 76 THR H 1.0 1.6 3.93 1134 1091 A 72 LEU HBy A 76 THR HB 1.0 1.6 4.26 1135 1092 A 72 LEU HBy A 76 THR HA 1.0 1.6 4.49 1136 1093 A 72 LEU HG A 76 THR HB 1.0 1.6 4.45 1137 1094 A 72 LEU H A 76 THR H 1.0 1.6 4.47 1138 1095 A 72 LEU H A 76 THR HB 1.0 1.6 5.14 1139 1096 A 72 LEU H A 77 GLU HA 1.0 1.6 4.92 1140 1097 A 73 ALA H A 74 ASP HB2 1.0 1.6 5.50 1141 1098 A 73 ALA H A 74 ASP H 1.0 1.6 4.08 1142 1099 A 73 ALA HA A 75 GLY H 1.0 1.6 4.44 1143 1100 A 74 ASP H A 74 ASP HB2 1.0 1.6 4.12 1144 1101 A 74 ASP H A 74 ASP HB3 1.0 1.6 3.81 1145 1102 A 75 GLY H A 74 ASP HB2 1.0 1.6 5.16 1146 1103 A 75 GLY H A 74 ASP H 1.0 1.6 3.38 1147 1104 A 76 THR H A 74 ASP HB2 1.0 1.6 5.18 1148 1105 A 76 THR H A 74 ASP H 1.0 1.6 4.18 1149 1106 A 74 ASP H A 76 THR HB 1.0 1.6 5.50 1150 1107 A 75 GLY H A 76 THR H 1.0 1.6 3.48 1151 1108 A 75 GLY H A 76 THR HB 1.0 1.6 5.50 1152 1109 A 76 THR H A 76 THR HB 1.0 1.6 3.58 1153 1110 A 77 GLU H A 76 THR HB 1.0 1.6 4.97 1154 1111 A 76 THR H A 77 GLU H 1.0 1.6 4.70 1155 1112 A 77 GLU HA A 77 GLU HG2 1.0 1.6 4.13 1156 1113 A 77 GLU H A 77 GLU HB3 1.0 1.6 3.48 1157 1114 A 77 GLU HG3 A 77 GLU H 1.0 1.6 4.70 1158 1115 A 78 LEU H A 77 GLU HA 1.0 1.6 3.42 1159 1116 A 78 LEU HG A 77 GLU HA 1.0 1.6 5.50 1160 1117 A 77 GLU HA A 78 LEU HA 1.0 1.6 5.42 1161 1118 A 77 GLU HB2 A 78 LEU H 1.0 1.6 4.82 1162 1119 A 77 GLU HB2 A 78 LEU HA 1.0 1.6 5.50 1163 1120 A 78 LEU H A 77 GLU HB3 1.0 1.6 4.94 1164 1121 A 77 GLU HG3 A 78 LEU H 1.0 1.6 4.51 1165 1122 A 77 GLU HG3 A 78 LEU HA 1.0 1.6 5.50 1166 1123 A 78 LEU H A 77 GLU H 1.0 1.6 4.88 1167 1124 A 77 GLU HB3 A 96 THR HB 1.0 1.6 4.94 1168 1125 A 77 GLU HG3 A 96 THR H 1.0 1.6 5.50 1169 1126 A 77 GLU HG3 A 96 THR HB 1.0 1.6 4.66 1170 1127 A 77 GLU HG3 A 96 THR HA 1.0 1.6 5.37 1171 1128 A 77 GLU H A 96 THR HB 1.0 1.6 5.50 1172 1129 A 78 LEU H A 78 LEU HG 1.0 1.6 4.34 1173 1130 A 79 ARG H A 78 LEU HA 1.0 1.6 3.26 1174 1131 A 79 ARG H A 78 LEU HBy 1.0 1.6 4.68 1175 1132 A 79 ARG H A 78 LEU HBx 1.0 1.6 4.21 1176 1133 A 79 ARG H A 78 LEU HG 1.0 1.6 5.50 1177 1134 A 79 ARG H A 78 LEU H 1.0 1.6 5.50 1178 1135 A 78 LEU HBy A 93 PHE HB3 1.0 1.6 5.27 1179 1136 A 78 LEU HBy A 93 PHE HB2 1.0 1.6 5.38 1180 1137 A 78 LEU HBx A 93 PHE HB2 1.0 1.6 4.98 1181 1138 A 78 LEU HBx A 93 PHE HB3 1.0 1.6 4.42 1182 1139 A 78 LEU HA A 94 LYS H 1.0 1.6 4.57 1183 1140 A 95 ARG HG3 A 78 LEU HA 1.0 1.6 5.16 1184 1141 A 78 LEU HA A 95 ARG H 1.0 1.6 5.50 1185 1142 A 95 ARG HA A 78 LEU HA 1.0 1.6 3.61 1186 1143 A 96 THR H A 78 LEU HA 1.0 1.6 4.13 1187 1144 A 79 ARG HD2 A 79 ARG HA 1.0 1.6 5.50 1188 1145 A 79 ARG H A 79 ARG HG3 1.0 1.6 5.49 1189 1146 A 79 ARG H A 79 ARG HG2 1.0 1.6 5.30 1190 1147 A 79 ARG HA A 80 GLY H 1.0 1.6 3.17 1191 1148 A 79 ARG HG2 A 80 GLY H 1.0 1.6 4.46 1192 1149 A 79 ARG HG2 A 80 GLY HA3 1.0 1.6 5.50 1193 1150 A 79 ARG HG3 A 80 GLY H 1.0 1.6 4.88 1194 1151 A 79 ARG H A 80 GLY HA3 1.0 1.6 5.23 1195 1152 A 79 ARG H A 93 PHE HB3 1.0 1.6 5.33 1196 1153 A 79 ARG H A 94 LYS H 1.0 1.6 3.70 1197 1154 A 79 ARG H A 94 LYS HG3 1.0 1.6 5.12 1198 1155 A 79 ARG H A 95 ARG HA 1.0 1.6 5.50 1199 1156 A 80 GLY HA3 A 81 THR H 1.0 1.6 3.35 1200 1157 A 80 GLY H A 81 THR H 1.0 1.6 5.50 1201 1158 A 80 GLY HA3 A 92 LYS H 1.0 1.6 5.50 1202 1159 A 80 GLY HA3 A 93 PHE H 1.0 1.6 5.50 1203 1160 A 80 GLY HA3 A 93 PHE HB3 1.0 1.6 5.50 1204 1161 A 80 GLY HA3 A 93 PHE HA 1.0 1.6 3.69 1205 1162 A 80 GLY HA3 A 94 LYS H 1.0 1.6 4.22 1206 1163 A 81 THR HB A 81 THR H 1.0 1.6 4.07 1207 1164 A 82 TRP H A 81 THR HA 1.0 1.6 3.29 1208 1165 A 82 TRP H A 81 THR HB 1.0 1.6 3.42 1209 1166 A 81 THR HB A 82 TRP HA 1.0 1.6 4.95 1210 1167 A 82 TRP H A 81 THR H 1.0 1.6 4.81 1211 1168 A 81 THR HB A 92 LYS H 1.0 1.6 5.50 1212 1169 A 81 THR H A 92 LYS HA 1.0 1.6 5.47 1213 1170 A 81 THR H A 92 LYS H 1.0 1.6 3.84 1214 1171 A 81 THR H A 92 LYS HB2 1.0 1.6 4.45 1215 1172 A 81 THR H A 92 LYS HB3 1.0 1.6 5.36 1216 1173 A 81 THR H A 93 PHE HA 1.0 1.6 3.84 1217 1174 A 81 THR H A 93 PHE HB3 1.0 1.6 5.46 1218 1175 A 82 TRP HA A 82 TRP HE3 1.0 1.6 4.01 1219 1176 A 83 SER H A 82 TRP HA 1.0 1.6 3.16 1220 1177 A 83 SER H A 82 TRP HE3 1.0 1.6 4.22 1221 1178 A 82 TRP HA A 89 LEU HBx 1.0 1.6 5.50 1222 1179 A 82 TRP HE3 A 89 LEU HBx 1.0 1.6 5.07 1223 1180 A 82 TRP HE3 A 89 LEU HBy 1.0 1.6 4.32 1224 1181 A 82 TRP HE3 A 89 LEU HG 1.0 1.6 4.38 1225 1182 A 82 TRP HZ3 A 89 LEU HBx 1.0 1.6 4.13 1226 1183 A 82 TRP HE3 A 90 ILE H 1.0 1.6 4.80 1227 1184 A 82 TRP HE3 A 90 ILE HB 1.0 1.6 5.50 1228 1185 A 82 TRP HA A 91 GLY H 1.0 1.6 4.91 1229 1186 A 82 TRP HE3 A 91 GLY H 1.0 1.6 5.50 1230 1187 A 82 TRP HZ3 A 91 GLY H 1.0 1.6 4.60 1231 1188 A 92 LYS H A 82 TRP HA 1.0 1.6 4.19 1232 1189 A 82 TRP HA A 92 LYS HB2 1.0 1.6 5.50 1233 1190 A 82 TRP HZ3 A 105 VAL HA 1.0 1.6 4.59 1234 1191 A 82 TRP HE3 A 106 ARG HD2 1.0 1.6 5.50 1235 1192 A 82 TRP HH2 A 106 ARG H 1.0 1.6 5.50 1236 1193 A 82 TRP HH2 A 106 ARG HD2 1.0 1.6 5.50 1237 1194 A 82 TRP HH2 A 106 ARG HG3 1.0 1.6 4.16 1238 1195 A 82 TRP HZ3 A 106 ARG H 1.0 1.6 4.48 1239 1196 A 82 TRP HZ3 A 106 ARG HG2 1.0 1.6 5.50 1240 1197 A 83 SER H A 83 SER HB2 1.0 1.6 4.20 1241 1198 A 83 SER H A 83 SER HB3 1.0 1.6 3.73 1242 1199 A 83 SER HB3 A 85 GLU HA 1.0 1.6 5.50 1243 1200 A 83 SER H A 89 LEU HA 1.0 1.6 4.66 1244 1201 A 83 SER H A 89 LEU HBx 1.0 1.6 5.50 1245 1202 A 83 SER HA A 90 ILE HB 1.0 1.6 4.72 1246 1203 A 83 SER HB2 A 90 ILE H 1.0 1.6 5.26 1247 1204 A 83 SER HB2 A 90 ILE HB 1.0 1.6 3.99 1248 1205 A 83 SER HB3 A 90 ILE H 1.0 1.6 5.05 1249 1206 A 83 SER HB3 A 90 ILE HB 1.0 1.6 3.86 1250 1207 A 83 SER HB3 A 90 ILE HG13 1.0 1.6 5.50 1251 1208 A 83 SER HB3 A 90 ILE HG12 1.0 1.6 5.37 1252 1209 A 83 SER H A 90 ILE H 1.0 1.6 3.68 1253 1210 A 83 SER H A 90 ILE HB 1.0 1.6 4.35 1254 1211 A 83 SER H A 92 LYS H 1.0 1.6 5.13 1255 1212 A 84 LEU H A 84 LEU HBy 1.0 1.6 3.33 1256 1213 A 84 LEU H A 84 LEU HBx 1.0 1.6 3.49 1257 1214 A 84 LEU HA A 85 GLU HB3 1.0 1.6 4.77 1258 1215 A 84 LEU HA A 85 GLU H 1.0 1.6 2.91 1259 1216 A 84 LEU HBx A 85 GLU H 1.0 1.6 3.97 1260 1217 A 84 LEU HA A 88 LYS H 1.0 1.6 5.42 1261 1218 A 84 LEU HA A 89 LEU H 1.0 1.6 5.48 1262 1219 A 89 LEU HA A 84 LEU HA 1.0 1.6 3.75 1263 1220 A 90 ILE H A 84 LEU HA 1.0 1.6 4.32 1264 1221 A 90 ILE HG13 A 84 LEU HA 1.0 1.6 5.50 1265 1222 A 84 LEU H A 90 ILE H 1.0 1.6 5.50 1266 1223 A 85 GLU HB3 A 85 GLU H 1.0 1.6 3.51 1267 1224 A 85 GLU H A 85 GLU HB2 1.0 1.6 3.70 1268 1225 A 85 GLU HA A 86 GLY H 1.0 1.6 2.87 1269 1226 A 85 GLU HA A 86 GLY HA3 1.0 1.6 5.23 1270 1227 A 86 GLY H A 85 GLU HB2 1.0 1.6 4.08 1271 1228 A 85 GLU HB3 A 86 GLY H 1.0 1.6 4.70 1272 1229 A 85 GLU H A 88 LYS H 1.0 1.6 3.84 1273 1230 A 85 GLU H A 88 LYS HB3 1.0 1.6 5.50 1274 1231 A 89 LEU HA A 85 GLU H 1.0 1.6 4.10 1275 1232 A 85 GLU H A 89 LEU H 1.0 1.6 5.50 1276 1233 A 90 ILE HG13 A 85 GLU HB3 1.0 1.6 4.15 1277 1234 A 90 ILE HG12 A 85 GLU HB3 1.0 1.6 4.41 1278 1235 A 90 ILE H A 85 GLU H 1.0 1.6 4.61 1279 1236 A 90 ILE HG13 A 85 GLU H 1.0 1.6 4.51 1280 1237 A 90 ILE HG12 A 85 GLU H 1.0 1.6 4.98 1281 1238 A 87 ASN H A 86 GLY HA3 1.0 1.6 3.12 1282 1239 A 86 GLY HA3 A 87 ASN HB3 1.0 1.6 5.08 1283 1240 A 86 GLY H A 87 ASN H 1.0 1.6 4.11 1284 1241 A 88 LYS H A 86 GLY HA3 1.0 2.1 4.61 1285 1242 A 86 GLY H A 88 LYS H 1.0 1.6 4.94 1286 1243 A 87 ASN HA A 87 ASN HD22 1.0 1.6 5.50 1287 1244 A 87 ASN HD21 A 87 ASN HA 1.0 1.6 4.17 1288 1245 A 87 ASN HB2 A 87 ASN HD22 1.0 1.6 3.80 1289 1246 A 87 ASN HB3 A 87 ASN HD22 1.0 1.6 3.82 1290 1247 A 87 ASN H A 87 ASN HB3 1.0 1.6 3.75 1291 1248 A 87 ASN H A 87 ASN HD22 1.0 1.6 5.50 1292 1249 A 87 ASN HB2 A 87 ASN H 1.0 1.6 3.68 1293 1250 A 87 ASN HB2 A 88 LYS H 1.0 1.6 4.10 1294 1251 A 88 LYS H A 87 ASN HB3 1.0 1.6 4.84 1295 1252 A 87 ASN H A 88 LYS HB3 1.0 1.6 5.02 1296 1253 A 87 ASN H A 88 LYS H 1.0 1.6 3.12 1297 1254 A 88 LYS H A 88 LYS HB3 1.0 1.6 3.30 1298 1255 A 88 LYS H A 88 LYS HB2 1.0 1.6 3.64 1299 1256 A 89 LEU H A 88 LYS HA 1.0 1.6 3.07 1300 1257 A 89 LEU H A 88 LYS HB2 1.0 1.6 4.23 1301 1258 A 89 LEU H A 88 LYS HB3 1.0 1.6 4.36 1302 1259 A 88 LYS H A 89 LEU H 1.0 1.6 4.71 1303 1260 A 89 LEU HG A 89 LEU HA 1.0 1.6 4.25 1304 1261 A 89 LEU HBx A 89 LEU H 1.0 1.6 3.95 1305 1262 A 89 LEU HBy A 89 LEU H 1.0 1.6 4.02 1306 1263 A 90 ILE HB A 89 LEU HA 1.0 1.6 4.99 1307 1264 A 89 LEU HA A 90 ILE HG13 1.0 1.6 5.23 1308 1265 A 90 ILE H A 89 LEU HA 1.0 1.6 3.07 1309 1266 A 89 LEU HBy A 90 ILE H 1.0 1.6 5.00 1310 1267 A 89 LEU HBx A 90 ILE H 1.0 1.6 5.08 1311 1268 A 89 LEU HG A 90 ILE H 1.0 1.6 4.75 1312 1269 A 90 ILE H A 89 LEU H 1.0 1.6 5.13 1313 1270 A 105 VAL HA A 89 LEU H 1.0 1.6 5.50 1314 1271 A 89 LEU HBy A 106 ARG H 1.0 1.6 4.72 1315 1272 A 106 ARG HD3 A 89 LEU HBy 1.0 1.6 5.50 1316 1273 A 89 LEU HBx A 106 ARG H 1.0 1.6 3.96 1317 1274 A 106 ARG HD3 A 89 LEU HBx 1.0 1.6 5.50 1318 1275 A 89 LEU HG A 106 ARG H 1.0 1.6 5.50 1319 1276 A 106 ARG H A 89 LEU H 1.0 1.6 4.01 1320 1277 A 90 ILE H A 90 ILE HG12 1.0 1.6 3.96 1321 1278 A 90 ILE H A 90 ILE HB 1.0 1.6 3.33 1322 1279 A 90 ILE H A 90 ILE HG13 1.0 1.6 3.93 1323 1280 A 91 GLY H A 90 ILE HA 1.0 1.6 3.21 1324 1281 A 90 ILE HB A 91 GLY H 1.0 1.6 4.62 1325 1282 A 91 GLY H A 90 ILE HG12 1.0 1.6 5.50 1326 1283 A 105 VAL HA A 90 ILE HA 1.0 1.6 3.86 1327 1284 A 106 ARG H A 90 ILE HA 1.0 1.6 4.82 1328 1285 A 92 LYS H A 91 GLY HA3 1.0 1.6 3.25 1329 1286 A 92 LYS H A 91 GLY H 1.0 1.6 4.84 1330 1287 A 91 GLY H A 104 THR HA 1.0 1.6 5.50 1331 1288 A 91 GLY H A 104 THR HB 1.0 1.6 5.50 1332 1289 A 91 GLY H A 104 THR H 1.0 1.6 4.14 1333 1290 A 91 GLY H A 105 VAL HA 1.0 1.6 4.20 1334 1291 A 92 LYS H A 92 LYS HB2 1.0 1.6 3.74 1335 1292 A 92 LYS H A 92 LYS HB3 1.0 1.6 3.69 1336 1293 A 92 LYS H A 92 LYS HG3 1.0 1.6 4.79 1337 1294 A 92 LYS H A 92 LYS HG2 1.0 1.6 4.82 1338 1295 A 93 PHE H A 92 LYS HA 1.0 1.6 3.19 1339 1296 A 93 PHE H A 92 LYS HB2 1.0 1.6 4.45 1340 1297 A 93 PHE H A 92 LYS HB3 1.0 1.6 4.51 1341 1298 A 92 LYS HG2 A 93 PHE HA 1.0 1.6 5.50 1342 1299 A 92 LYS HG2 A 93 PHE H 1.0 1.6 4.86 1343 1300 A 93 PHE H A 92 LYS HG3 1.0 1.6 4.89 1344 1301 A 92 LYS H A 93 PHE H 1.0 1.6 4.49 1345 1302 A 92 LYS HA A 103 ASN H 1.0 1.6 5.50 1346 1303 A 92 LYS HG2 A 103 ASN HD21 1.0 1.6 5.50 1347 1304 A 92 LYS HA A 104 THR H 1.0 1.6 4.18 1348 1305 A 93 PHE HB2 A 93 PHE H 1.0 1.6 3.99 1349 1306 A 94 LYS H A 93 PHE HA 1.0 1.6 3.14 1350 1307 A 94 LYS HG3 A 93 PHE HA 1.0 1.6 5.50 1351 1308 A 93 PHE HA A 94 LYS HG2 1.0 1.6 5.50 1352 1309 A 93 PHE HB2 A 94 LYS H 1.0 1.6 4.10 1353 1310 A 93 PHE HB3 A 94 LYS H 1.0 1.6 3.85 1354 1311 A 94 LYS H A 93 PHE H 1.0 1.6 5.36 1355 1312 A 93 PHE HB2 A 102 LEU H 1.0 1.6 4.99 1356 1313 A 93 PHE HB2 A 102 LEU HBy 1.0 1.6 4.82 1357 1314 A 93 PHE HB2 A 102 LEU HBx 1.0 1.6 4.74 1358 1315 A 93 PHE HB3 A 102 LEU HBx 1.0 1.6 4.86 1359 1316 A 93 PHE HB3 A 102 LEU HBy 1.0 1.6 4.82 1360 1317 A 93 PHE H A 102 LEU H 1.0 1.6 4.39 1361 1318 A 93 PHE H A 102 LEU HBx 1.0 1.6 4.89 1362 1319 A 93 PHE H A 102 LEU HBy 1.0 1.6 5.33 1363 1320 A 93 PHE H A 103 ASN HA 1.0 1.6 4.33 1364 1321 A 93 PHE H A 104 THR H 1.0 1.6 5.17 1365 1322 A 94 LYS HG2 A 94 LYS HA 1.0 1.6 3.80 1366 1323 A 94 LYS H A 94 LYS HG2 1.0 1.6 4.21 1367 1324 A 95 ARG H A 94 LYS HA 1.0 1.6 3.07 1368 1325 A 95 ARG HG3 A 94 LYS HA 1.0 1.6 5.22 1369 1326 A 95 ARG H A 94 LYS HG2 1.0 1.6 4.94 1370 1327 A 94 LYS HA A 100 ASN H 1.0 1.6 5.13 1371 1328 A 94 LYS HA A 101 GLU HG2 1.0 1.6 5.44 1372 1329 A 94 LYS HA A 101 GLU HA 1.0 1.6 3.20 1373 1330 A 94 LYS HG2 A 101 GLU H 1.0 1.6 5.26 1374 1331 A 94 LYS HG2 A 101 GLU HG2 1.0 1.6 4.69 1375 1332 A 94 LYS HG2 A 101 GLU HA 1.0 1.6 4.00 1376 1333 A 102 LEU H A 94 LYS HA 1.0 1.6 3.28 1377 1334 A 94 LYS HG2 A 102 LEU H 1.0 1.6 5.50 1378 1335 A 95 ARG HA A 95 ARG HD2 1.0 1.6 4.92 1379 1336 A 95 ARG HG2 A 95 ARG HA 1.0 1.6 4.00 1380 1337 A 95 ARG HE A 95 ARG HB3 1.0 1.6 3.77 1381 1338 A 95 ARG H A 95 ARG HD2 1.0 1.6 5.38 1382 1339 A 95 ARG H A 95 ARG HB2 1.0 1.6 3.77 1383 1340 A 95 ARG HG3 A 95 ARG H 1.0 1.6 4.13 1384 1341 A 95 ARG HB3 A 95 ARG H 1.0 1.6 4.10 1385 1342 A 95 ARG HG2 A 95 ARG H 1.0 1.6 5.04 1386 1343 A 95 ARG HA A 96 THR H 1.0 1.6 3.36 1387 1344 A 96 THR H A 95 ARG HB2 1.0 1.6 4.99 1388 1345 A 95 ARG HB3 A 96 THR H 1.0 1.6 4.51 1389 1346 A 95 ARG HG2 A 96 THR H 1.0 1.6 5.50 1390 1347 A 95 ARG HA A 97 ASP H 1.0 1.6 4.32 1391 1348 A 97 ASP H A 95 ARG HB2 1.0 1.6 3.85 1392 1349 A 95 ARG HB3 A 97 ASP H 1.0 1.6 3.91 1393 1350 A 95 ARG HG2 A 97 ASP HB2 1.0 1.6 5.50 1394 1351 A 95 ARG HB2 A 98 ASN H 1.0 1.6 4.22 1395 1352 A 95 ARG HD2 A 98 ASN HD21 1.0 1.6 5.37 1396 1353 A 95 ARG HD2 A 98 ASN HD22 1.0 1.6 5.45 1397 1354 A 95 ARG HG2 A 98 ASN H 1.0 1.6 5.46 1398 1355 A 95 ARG HB2 A 99 GLY H 1.0 1.6 4.44 1399 1356 A 95 ARG HB3 A 99 GLY H 1.0 1.6 5.02 1400 1357 A 95 ARG H A 99 GLY HA3 1.0 1.6 5.50 1401 1358 A 95 ARG HB2 A 100 ASN H 1.0 1.6 3.76 1402 1359 A 95 ARG HB3 A 100 ASN H 1.0 1.6 4.47 1403 1360 A 100 ASN H A 95 ARG HD2 1.0 1.6 5.15 1404 1361 A 95 ARG HD2 A 100 ASN HB2 1.0 1.6 4.81 1405 1362 A 95 ARG HD2 A 100 ASN HB3 1.0 1.6 4.93 1406 1363 A 95 ARG HG2 A 100 ASN H 1.0 1.6 4.84 1407 1364 A 95 ARG HG3 A 100 ASN H 1.0 1.6 5.30 1408 1365 A 95 ARG H A 100 ASN H 1.0 1.6 5.05 1409 1366 A 96 THR HB A 96 THR HA 1.0 1.6 3.00 1410 1367 A 96 THR H A 96 THR HB 1.0 1.6 3.97 1411 1368 A 97 ASP H A 96 THR HB 1.0 1.6 4.48 1412 1369 A 96 THR H A 97 ASP H 1.0 1.6 3.44 1413 1370 A 96 THR H A 97 ASP HB2 1.0 1.6 5.50 1414 1371 A 96 THR H A 97 ASP HB3 1.0 1.6 5.50 1415 1372 A 96 THR HA A 99 GLY H 1.0 1.6 4.78 1416 1373 A 97 ASP H A 97 ASP HB2 1.0 1.6 3.70 1417 1374 A 97 ASP H A 97 ASP HB3 1.0 1.6 3.87 1418 1375 A 97 ASP HB2 A 98 ASN H 1.0 1.6 4.62 1419 1376 A 98 ASN H A 97 ASP HB3 1.0 1.6 4.63 1420 1377 A 97 ASP H A 98 ASN H 1.0 1.6 3.64 1421 1378 A 97 ASP H A 98 ASN HD22 1.0 1.6 5.50 1422 1379 A 99 GLY H A 97 ASP HA 1.0 1.6 5.50 1423 1380 A 97 ASP H A 99 GLY H 1.0 1.6 4.45 1424 1381 A 98 ASN HD22 A 98 ASN HA 1.0 1.6 5.29 1425 1382 A 98 ASN HD21 A 98 ASN HA 1.0 1.6 5.34 1426 1383 A 98 ASN H A 98 ASN HD22 1.0 1.6 5.13 1427 1384 A 98 ASN H A 98 ASN HB3 1.0 1.6 4.15 1428 1385 A 98 ASN H A 98 ASN HD21 1.0 1.6 5.50 1429 1386 A 99 GLY H A 98 ASN HB2 1.0 1.6 5.16 1430 1387 A 99 GLY H A 98 ASN HB3 1.0 1.6 4.66 1431 1388 A 99 GLY H A 98 ASN H 1.0 1.6 3.27 1432 1389 A 99 GLY HA3 A 98 ASN H 1.0 1.6 4.70 1433 1390 A 100 ASN H A 98 ASN HD21 1.0 1.6 5.16 1434 1391 A 98 ASN HD21 A 100 ASN HD21 1.0 1.6 5.50 1435 1392 A 98 ASN HD21 A 100 ASN HD22 1.0 1.6 5.46 1436 1393 A 98 ASN HD21 A 100 ASN HB2 1.0 1.6 5.50 1437 1394 A 98 ASN HD21 A 100 ASN HA 1.0 1.6 4.57 1438 1395 A 100 ASN H A 98 ASN HD22 1.0 1.6 5.33 1439 1396 A 98 ASN HD22 A 100 ASN HD21 1.0 1.6 5.50 1440 1397 A 98 ASN HD22 A 100 ASN HD22 1.0 1.6 5.50 1441 1398 A 99 GLY H A 100 ASN H 1.0 1.6 3.45 1442 1399 A 100 ASN HD21 A 100 ASN HA 1.0 1.6 5.50 1443 1400 A 100 ASN H A 100 ASN HD21 1.0 1.6 4.84 1444 1401 A 100 ASN H A 100 ASN HB2 1.0 1.6 3.32 1445 1402 A 100 ASN H A 100 ASN HB3 1.0 1.6 3.47 1446 1403 A 100 ASN H A 100 ASN HD22 1.0 1.6 5.50 1447 1404 A 101 GLU H A 100 ASN HA 1.0 1.6 3.17 1448 1405 A 101 GLU H A 100 ASN HB2 1.0 1.6 4.20 1449 1406 A 101 GLU H A 100 ASN HB3 1.0 1.6 3.80 1450 1407 A 100 ASN H A 101 GLU H 1.0 1.6 5.22 1451 1408 A 102 LEU H A 100 ASN HB2 1.0 1.6 5.33 1452 1409 A 100 ASN HB3 A 120 GLU HG3 1.0 1.6 5.26 1453 1410 A 120 GLU HG2 A 100 ASN HB3 1.0 1.6 5.50 1454 1411 A 120 GLU HG2 A 100 ASN HD21 1.0 1.6 5.50 1455 1412 A 100 ASN HD22 A 120 GLU HG3 1.0 1.6 5.50 1456 1413 A 101 GLU HA A 101 GLU HG3 1.0 1.6 4.03 1457 1414 A 101 GLU HG2 A 101 GLU HA 1.0 1.6 4.18 1458 1415 A 101 GLU HG2 A 101 GLU H 1.0 1.6 3.59 1459 1416 A 102 LEU H A 101 GLU HA 1.0 1.6 3.01 1460 1417 A 102 LEU H A 101 GLU HG2 1.0 1.6 4.61 1461 1418 A 102 LEU H A 101 GLU HG3 1.0 1.6 4.77 1462 1419 A 102 LEU H A 101 GLU H 1.0 1.6 4.79 1463 1420 A 101 GLU H A 102 LEU HA 1.0 1.6 5.26 1464 1421 A 101 GLU HA A 103 ASN HD22 1.0 1.6 5.50 1465 1422 A 103 ASN HD21 A 101 GLU HA 1.0 1.6 5.50 1466 1423 A 103 ASN HD21 A 101 GLU HG2 1.0 1.6 5.37 1467 1424 A 101 GLU HG2 A 103 ASN HD22 1.0 1.6 5.50 1468 1425 A 101 GLU HG3 A 103 ASN HD22 1.0 1.6 5.50 1469 1426 A 103 ASN HD21 A 101 GLU HG3 1.0 1.6 5.25 1470 1427 A 102 LEU HA A 102 LEU HG 1.0 1.6 3.95 1471 1428 A 102 LEU H A 102 LEU HBy 1.0 1.6 4.09 1472 1429 A 102 LEU H A 102 LEU HG 1.0 1.6 5.23 1473 1430 A 103 ASN H A 102 LEU HA 1.0 1.6 3.09 1474 1431 A 102 LEU HA A 103 ASN HD22 1.0 1.6 5.50 1475 1432 A 103 ASN H A 102 LEU HBx 1.0 1.6 4.61 1476 1433 A 102 LEU HBx A 103 ASN HA 1.0 1.6 5.44 1477 1434 A 103 ASN H A 102 LEU HBy 1.0 1.6 4.82 1478 1435 A 103 ASN H A 102 LEU HG 1.0 1.6 4.84 1479 1436 A 103 ASN H A 102 LEU H 1.0 1.6 5.08 1480 1437 A 102 LEU HA A 119 TYR HB2 1.0 1.6 4.92 1481 1438 A 102 LEU HG A 119 TYR HB2 1.0 1.6 4.73 1482 1439 A 103 ASN HA A 103 ASN HD22 1.0 1.6 5.22 1483 1440 A 103 ASN HD21 A 103 ASN HA 1.0 1.6 5.50 1484 1441 A 103 ASN HD22 A 103 ASN HB3 1.0 1.6 3.95 1485 1442 A 103 ASN H A 103 ASN HD21 1.0 1.6 5.41 1486 1443 A 103 ASN H A 103 ASN HD22 1.0 1.6 4.81 1487 1444 A 103 ASN H A 103 ASN HB3 1.0 1.6 3.76 1488 1445 A 103 ASN H A 103 ASN HB2 1.0 1.6 3.87 1489 1446 A 104 THR H A 103 ASN HA 1.0 1.6 2.97 1490 1447 A 104 THR H A 103 ASN HB2 1.0 1.6 3.95 1491 1448 A 104 THR H A 103 ASN HB3 1.0 1.6 4.25 1492 1449 A 104 THR H A 103 ASN H 1.0 1.6 4.74 1493 1450 A 103 ASN HA A 118 VAL HB 1.0 1.6 5.15 1494 1451 A 118 VAL H A 103 ASN HB2 1.0 1.6 5.00 1495 1452 A 118 VAL HB A 103 ASN HB2 1.0 1.6 4.11 1496 1453 A 103 ASN HB3 A 118 VAL H 1.0 1.6 4.95 1497 1454 A 103 ASN HB3 A 118 VAL HB 1.0 1.6 3.53 1498 1455 A 103 ASN HD22 A 118 VAL HB 1.0 1.6 5.04 1499 1456 A 103 ASN H A 118 VAL HB 1.0 1.6 4.04 1500 1457 A 103 ASN H A 118 VAL H 1.0 1.6 3.93 1501 1458 A 105 VAL HA A 104 THR HA 1.0 1.6 5.50 1502 1459 A 104 THR HA A 105 VAL HB 1.0 1.6 5.10 1503 1460 A 104 THR HA A 105 VAL H 1.0 1.6 3.27 1504 1461 A 104 THR HB A 105 VAL H 1.0 1.6 4.09 1505 1462 A 104 THR H A 105 VAL H 1.0 1.6 5.14 1506 1463 A 104 THR HA A 116 THR H 1.0 1.6 5.16 1507 1464 A 104 THR HA A 117 TYR HA 1.0 1.6 3.85 1508 1465 A 104 THR HA A 117 TYR HE% 1.0 1.6 5.28 1509 1465 A 104 THR HA A 117 TYR HD% 1.0 1.6 5.28 1510 1466 A 104 THR HB A 117 TYR HE% 1.0 1.6 5.46 1511 1466 A 104 THR HB A 117 TYR HD% 1.0 1.6 5.46 1512 1467 A 104 THR HB A 117 TYR HA 1.0 1.6 5.04 1513 1468 A 104 THR H A 117 TYR HA 1.0 1.6 5.42 1514 1469 A 104 THR HA A 118 VAL H 1.0 1.6 4.36 1515 1470 A 105 VAL HB A 105 VAL H 1.0 1.6 3.67 1516 1471 A 105 VAL HA A 106 ARG H 1.0 1.6 3.17 1517 1472 A 106 ARG H A 105 VAL HB 1.0 1.6 4.35 1518 1473 A 106 ARG H A 105 VAL H 1.0 1.6 5.18 1519 1474 A 105 VAL HA A 115 GLN HG3 1.0 1.6 5.50 1520 1475 A 105 VAL H A 115 GLN HA 1.0 1.6 4.90 1521 1476 A 105 VAL H A 115 GLN HG2 1.0 1.6 5.13 1522 1477 A 105 VAL H A 115 GLN HG3 1.0 1.6 5.20 1523 1478 A 105 VAL HB A 116 THR H 1.0 1.6 4.11 1524 1479 A 105 VAL HB A 116 THR HB 1.0 1.6 3.60 1525 1480 A 105 VAL H A 116 THR H 1.0 1.6 3.90 1526 1481 A 105 VAL H A 116 THR HB 1.0 1.6 4.17 1527 1482 A 105 VAL H A 117 TYR HE% 1.0 1.6 5.36 1528 1482 A 117 TYR HD% A 105 VAL H 1.0 1.6 5.36 1529 1483 A 105 VAL H A 117 TYR HA 1.0 1.6 4.75 1530 1484 A 118 VAL H A 105 VAL H 1.0 1.6 5.07 1531 1485 A 106 ARG H A 106 ARG HG2 1.0 1.6 5.50 1532 1486 A 107 GLU H A 106 ARG HA 1.0 1.6 3.13 1533 1487 A 107 GLU H A 106 ARG HG2 1.0 1.6 5.36 1534 1488 A 107 GLU H A 106 ARG HG3 1.0 1.6 5.50 1535 1489 A 107 GLU H A 106 ARG H 1.0 1.6 4.85 1536 1490 A 106 ARG HA A 115 GLN HG3 1.0 1.6 5.50 1537 1491 A 106 ARG HA A 115 GLN HA 1.0 1.6 3.92 1538 1492 A 106 ARG HA A 115 GLN HB2 1.0 1.6 4.32 1539 1493 A 106 ARG HG2 A 115 GLN HB2 1.0 1.6 5.50 1540 1494 A 106 ARG HG3 A 115 GLN HB2 1.0 1.6 5.12 1541 1495 A 106 ARG HG3 A 115 GLN HE22 1.0 1.6 5.50 1542 1496 A 106 ARG H A 115 GLN HA 1.0 1.6 5.10 1543 1497 A 116 THR H A 106 ARG HA 1.0 1.6 4.59 1544 1498 A 107 GLU HA A 107 GLU HG2 1.0 1.6 3.59 1545 1499 A 107 GLU HA A 108 ILE H 1.0 1.6 3.09 1546 1500 A 108 ILE H A 107 GLU HB3 1.0 1.6 4.16 1547 1501 A 108 ILE H A 107 GLU HG2 1.0 1.6 3.70 1548 1502 A 107 GLU H A 108 ILE H 1.0 1.6 5.50 1549 1503 A 107 GLU HG2 A 109 ILE HG13 1.0 1.6 4.63 1550 1504 A 107 GLU HG2 A 109 ILE HA 1.0 1.6 5.36 1551 1505 A 107 GLU H A 114 VAL HA 1.0 1.6 5.50 1552 1506 A 107 GLU H A 114 VAL H 1.0 1.6 4.01 1553 1507 A 107 GLU H A 114 VAL HB 1.0 1.6 4.19 1554 1508 A 107 GLU H A 115 GLN HA 1.0 1.6 4.40 1555 1509 A 108 ILE HA A 108 ILE HG13 1.0 1.6 4.08 1556 1510 A 108 ILE HB A 108 ILE H 1.0 1.6 3.26 1557 1511 A 108 ILE HA A 109 ILE H 1.0 1.6 3.21 1558 1512 A 108 ILE HG12 A 109 ILE H 1.0 1.6 3.42 1559 1513 A 108 ILE HG12 A 109 ILE HA 1.0 1.6 4.61 1560 1514 A 108 ILE HG13 A 109 ILE H 1.0 1.6 3.83 1561 1515 A 109 ILE HA A 108 ILE HG13 1.0 1.6 5.50 1562 1516 A 108 ILE HG13 A 111 ASP H 1.0 1.6 5.50 1563 1517 A 108 ILE HG12 A 112 GLU H 1.0 1.6 3.91 1564 1518 A 112 GLU H A 108 ILE HG13 1.0 1.6 4.44 1565 1519 A 113 LEU HA A 108 ILE HA 1.0 1.6 3.79 1566 1520 A 108 ILE HB A 113 LEU HA 1.0 1.6 5.05 1567 1521 A 108 ILE HG12 A 113 LEU HA 1.0 1.6 3.95 1568 1522 A 108 ILE H A 113 LEU HA 1.0 1.6 5.50 1569 1523 A 114 VAL H A 108 ILE HA 1.0 1.6 4.39 1570 1524 A 108 ILE HB A 114 VAL H 1.0 1.6 5.50 1571 1525 A 109 ILE HA A 109 ILE HG12 1.0 1.6 3.92 1572 1526 A 109 ILE HG13 A 109 ILE HA 1.0 1.6 3.94 1573 1527 A 109 ILE H A 109 ILE HB 1.0 1.6 3.58 1574 1528 A 109 ILE H A 109 ILE HG12 1.0 1.6 4.45 1575 1529 A 109 ILE HG13 A 109 ILE H 1.0 1.6 4.14 1576 1530 A 109 ILE HA A 110 GLY H 1.0 1.6 2.89 1577 1531 A 109 ILE HA A 110 GLY HA3 1.0 1.6 5.02 1578 1532 A 110 GLY H A 109 ILE HB 1.0 1.6 4.49 1579 1533 A 110 GLY H A 109 ILE HG12 1.0 1.6 4.71 1580 1534 A 109 ILE HG13 A 110 GLY H 1.0 1.6 5.50 1581 1535 A 109 ILE H A 110 GLY H 1.0 1.6 4.79 1582 1536 A 109 ILE HA A 111 ASP H 1.0 1.6 5.44 1583 1537 A 111 ASP H A 109 ILE HB 1.0 1.6 5.50 1584 1538 A 112 GLU H A 109 ILE HB 1.0 1.6 5.48 1585 1539 A 109 ILE HB A 112 GLU HB2 1.0 1.6 5.26 1586 1540 A 112 GLU H A 109 ILE HG13 1.0 1.6 5.50 1587 1541 A 109 ILE H A 112 GLU HB2 1.0 1.6 4.71 1588 1542 A 112 GLU H A 109 ILE H 1.0 1.6 3.98 1589 1543 A 113 LEU HA A 109 ILE H 1.0 1.6 3.93 1590 1544 A 114 VAL H A 109 ILE H 1.0 1.6 4.70 1591 1545 A 111 ASP H A 110 GLY HA3 1.0 1.6 3.19 1592 1546 A 110 GLY HA3 A 111 ASP HB2 1.0 1.6 4.37 1593 1547 A 110 GLY H A 111 ASP H 1.0 1.6 4.64 1594 1548 A 112 GLU H A 110 GLY HA3 1.0 1.6 4.75 1595 1549 A 112 GLU H A 110 GLY H 1.0 1.6 4.91 1596 1550 A 111 ASP H A 111 ASP HB3 1.0 1.6 3.86 1597 1551 A 111 ASP H A 111 ASP HB2 1.0 1.6 3.75 1598 1552 A 112 GLU H A 111 ASP HB2 1.0 1.6 4.62 1599 1553 A 112 GLU H A 111 ASP HB3 1.0 1.6 4.49 1600 1554 A 112 GLU HA A 111 ASP HB3 1.0 1.6 5.29 1601 1555 A 111 ASP H A 112 GLU HB2 1.0 1.6 5.00 1602 1556 A 111 ASP H A 112 GLU HG2 1.0 1.6 5.13 1603 1557 A 112 GLU HA A 111 ASP H 1.0 1.6 5.50 1604 1558 A 112 GLU H A 111 ASP H 1.0 1.6 3.18 1605 1559 A 112 GLU HA A 112 GLU HG2 1.0 1.6 4.09 1606 1560 A 112 GLU HA A 112 GLU HG3 1.0 1.6 4.08 1607 1561 A 112 GLU H A 112 GLU HG2 1.0 1.6 3.84 1608 1562 A 112 GLU H A 112 GLU HB2 1.0 1.6 3.27 1609 1563 A 112 GLU H A 112 GLU HG3 1.0 1.6 4.30 1610 1564 A 112 GLU H A 112 GLU HB3 1.0 1.6 3.90 1611 1565 A 112 GLU HA A 113 LEU HBy 1.0 1.6 4.91 1612 1566 A 112 GLU HA A 113 LEU H 1.0 1.6 3.24 1613 1567 A 113 LEU H A 112 GLU HG2 1.0 1.6 5.50 1614 1568 A 113 LEU H A 112 GLU HG3 1.0 1.6 4.75 1615 1569 A 112 GLU HA A 129 LYS HG3 1.0 1.6 5.50 1616 1570 A 129 LYS HA A 112 GLU HB3 1.0 1.6 4.28 1617 1571 A 112 GLU HG2 A 129 LYS HG2 1.0 1.6 5.50 1618 1572 A 129 LYS HG3 A 112 GLU HG2 1.0 1.6 4.73 1619 1573 A 129 LYS HA A 112 GLU HG2 1.0 1.6 4.89 1620 1574 A 129 LYS HE3 A 112 GLU HG3 1.0 1.6 5.47 1621 1575 A 129 LYS HB3 A 112 GLU HG3 1.0 1.6 4.00 1622 1576 A 129 LYS HG3 A 112 GLU HG3 1.0 1.6 4.46 1623 1577 A 112 GLU HG3 A 129 LYS HG2 1.0 1.6 4.74 1624 1578 A 129 LYS HA A 112 GLU HG3 1.0 1.6 4.53 1625 1579 A 112 GLU HA A 130 LYS H 1.0 1.6 4.99 1626 1580 A 130 LYS H A 112 GLU HG3 1.0 1.6 5.29 1627 1581 A 113 LEU HG A 113 LEU HA 1.0 1.6 4.14 1628 1582 A 113 LEU H A 113 LEU HBy 1.0 1.6 3.74 1629 1583 A 113 LEU H A 113 LEU HBx 1.0 1.6 3.94 1630 1584 A 113 LEU HG A 113 LEU H 1.0 1.6 4.71 1631 1585 A 113 LEU HA A 114 VAL H 1.0 1.6 3.23 1632 1586 A 113 LEU HA A 114 VAL HB 1.0 1.6 5.33 1633 1587 A 113 LEU HBy A 114 VAL H 1.0 1.6 5.50 1634 1588 A 113 LEU HBx A 114 VAL H 1.0 1.6 4.77 1635 1589 A 113 LEU HG A 114 VAL H 1.0 1.6 4.19 1636 1590 A 113 LEU H A 114 VAL H 1.0 1.6 4.96 1637 1591 A 113 LEU H A 127 ILE HA 1.0 1.6 5.29 1638 1592 A 113 LEU HA A 128 PHE HB2 1.0 1.6 5.50 1639 1593 A 113 LEU HBy A 128 PHE HB3 1.0 1.6 4.16 1640 1594 A 113 LEU HBy A 128 PHE H 1.0 1.6 5.23 1641 1595 A 113 LEU HBy A 128 PHE HB2 1.0 1.6 4.25 1642 1596 A 113 LEU HBx A 128 PHE HB3 1.0 1.6 5.12 1643 1597 A 113 LEU HBx A 128 PHE H 1.0 1.6 4.95 1644 1598 A 113 LEU HBx A 128 PHE HB2 1.0 1.6 4.32 1645 1599 A 113 LEU HG A 128 PHE HB2 1.0 1.6 4.68 1646 1600 A 113 LEU H A 128 PHE H 1.0 1.6 4.20 1647 1601 A 113 LEU H A 128 PHE HB2 1.0 1.6 4.31 1648 1602 A 113 LEU H A 129 LYS H 1.0 1.6 5.41 1649 1603 A 113 LEU H A 129 LYS HA 1.0 1.6 4.97 1650 1604 A 114 VAL H A 114 VAL HB 1.0 1.6 3.52 1651 1605 A 115 GLN HB2 A 114 VAL HA 1.0 1.6 4.38 1652 1606 A 114 VAL HA A 115 GLN H 1.0 1.6 3.24 1653 1607 A 114 VAL HA A 127 ILE HG12 1.0 1.6 4.53 1654 1608 A 114 VAL HA A 127 ILE HG13 1.0 1.6 4.90 1655 1609 A 114 VAL HA A 127 ILE HA 1.0 1.6 3.71 1656 1610 A 114 VAL HB A 127 ILE HG12 1.0 1.6 5.50 1657 1611 A 114 VAL HA A 128 PHE H 1.0 1.6 4.46 1658 1612 A 115 GLN HG3 A 115 GLN HA 1.0 1.6 3.90 1659 1613 A 115 GLN HB2 A 115 GLN HE22 1.0 1.6 5.50 1660 1614 A 115 GLN HB2 A 115 GLN H 1.0 1.6 4.20 1661 1615 A 116 THR H A 115 GLN HA 1.0 1.6 3.38 1662 1616 A 115 GLN HA A 116 THR HB 1.0 1.6 5.29 1663 1617 A 116 THR H A 115 GLN HB2 1.0 1.6 5.25 1664 1618 A 116 THR H A 115 GLN HG2 1.0 1.6 4.62 1665 1619 A 116 THR H A 115 GLN HG3 1.0 1.6 4.55 1666 1620 A 116 THR H A 115 GLN H 1.0 1.6 4.68 1667 1621 A 115 GLN HG3 A 117 TYR HE% 1.0 1.6 5.39 1668 1621 A 117 TYR HD% A 115 GLN HG3 1.0 1.6 5.39 1669 1622 A 125 LYS HA A 115 GLN HB3 1.0 1.6 5.50 1670 1623 A 125 LYS HA A 115 GLN H 1.0 1.6 5.39 1671 1624 A 126 ARG H A 115 GLN H 1.0 1.6 4.09 1672 1625 A 115 GLN H A 127 ILE HG13 1.0 1.6 5.36 1673 1626 A 115 GLN H A 127 ILE HA 1.0 1.6 4.37 1674 1627 A 115 GLN H A 128 PHE H 1.0 1.6 5.15 1675 1628 A 116 THR H A 116 THR HB 1.0 1.6 4.02 1676 1629 A 116 THR HA A 117 TYR H 1.0 1.6 3.26 1677 1630 A 116 THR HB A 117 TYR H 1.0 1.6 4.43 1678 1631 A 116 THR H A 117 TYR H 1.0 1.6 5.50 1679 1632 A 116 THR H A 117 TYR HE% 1.0 1.6 5.50 1680 1632 A 117 TYR HD% A 116 THR H 1.0 1.6 5.50 1681 1633 A 116 THR HA A 124 ALA H 1.0 1.6 5.23 1682 1634 A 125 LYS HB3 A 116 THR HA 1.0 1.6 5.27 1683 1635 A 125 LYS HG2 A 116 THR HA 1.0 1.6 4.22 1684 1636 A 125 LYS HA A 116 THR HA 1.0 1.6 3.68 1685 1637 A 126 ARG H A 116 THR HA 1.0 1.6 4.71 1686 1638 A 117 TYR HA A 117 TYR HE% 1.0 1.6 4.87 1687 1638 A 117 TYR HD% A 117 TYR HA 1.0 1.6 4.87 1688 1639 A 117 TYR H A 117 TYR HE% 1.0 1.6 4.34 1689 1639 A 117 TYR HD% A 117 TYR H 1.0 1.6 4.34 1690 1640 A 117 TYR HB3 A 117 TYR H 1.0 1.6 4.09 1691 1641 A 118 VAL H A 117 TYR HA 1.0 1.6 3.17 1692 1642 A 118 VAL HA A 117 TYR HA 1.0 1.6 4.78 1693 1643 A 118 VAL HB A 117 TYR HA 1.0 1.6 5.50 1694 1644 A 117 TYR HB2 A 118 VAL H 1.0 1.6 3.83 1695 1645 A 117 TYR HB3 A 118 VAL H 1.0 1.6 4.99 1696 1646 A 118 VAL H A 117 TYR H 1.0 1.6 4.99 1697 1647 A 118 VAL H A 117 TYR HE% 1.0 1.6 5.00 1698 1647 A 117 TYR HD% A 118 VAL H 1.0 1.6 5.00 1699 1648 A 117 TYR H A 123 GLU HA 1.0 1.6 4.78 1700 1649 A 117 TYR H A 123 GLU HG2 1.0 1.6 5.50 1701 1650 A 117 TYR HB2 A 124 ALA H 1.0 1.6 5.50 1702 1651 A 117 TYR HB3 A 124 ALA H 1.0 1.6 4.24 1703 1652 A 117 TYR H A 124 ALA H 1.0 1.6 3.61 1704 1653 A 124 ALA H A 117 TYR HE% 1.0 1.6 5.18 1705 1653 A 117 TYR HD% A 124 ALA H 1.0 1.6 5.18 1706 1654 A 125 LYS H A 117 TYR H 1.0 1.6 5.37 1707 1655 A 125 LYS HB2 A 117 TYR H 1.0 1.6 5.50 1708 1656 A 125 LYS HA A 117 TYR H 1.0 1.6 3.96 1709 1657 A 125 LYS H A 117 TYR HE% 1.0 1.6 5.50 1710 1657 A 125 LYS H A 117 TYR HD% 1.0 1.6 5.50 1711 1658 A 125 LYS HA A 117 TYR HE% 1.0 1.6 5.50 1712 1658 A 125 LYS HA A 117 TYR HD% 1.0 1.6 5.50 1713 1659 A 126 ARG H A 117 TYR HE% 1.0 1.6 4.92 1714 1659 A 126 ARG H A 117 TYR HD% 1.0 1.6 4.92 1715 1660 A 126 ARG HB3 A 117 TYR HE% 1.0 1.6 5.50 1716 1660 A 126 ARG HB3 A 117 TYR HD% 1.0 1.6 5.50 1717 1661 A 118 VAL H A 118 VAL HB 1.0 1.6 3.48 1718 1662 A 118 VAL HA A 119 TYR H 1.0 1.6 2.97 1719 1663 A 118 VAL HB A 119 TYR H 1.0 1.6 4.38 1720 1664 A 121 GLY H A 118 VAL HA 1.0 1.6 5.43 1721 1665 A 122 VAL H A 118 VAL HA 1.0 1.6 5.00 1722 1666 A 122 VAL HB A 118 VAL HA 1.0 1.6 5.24 1723 1667 A 123 GLU H A 118 VAL HA 1.0 1.6 5.50 1724 1668 A 118 VAL HA A 123 GLU HB2 1.0 1.6 3.93 1725 1669 A 118 VAL HA A 123 GLU HA 1.0 1.6 3.52 1726 1670 A 118 VAL HA A 123 GLU HG2 1.0 1.6 5.41 1727 1671 A 118 VAL HA A 124 ALA H 1.0 1.6 4.17 1728 1672 A 119 TYR HB2 A 119 TYR H 1.0 1.6 4.13 1729 1673 A 119 TYR HB3 A 119 TYR H 1.0 1.6 3.96 1730 1674 A 120 GLU HG3 A 119 TYR HA 1.0 1.6 5.50 1731 1675 A 120 GLU H A 119 TYR HA 1.0 1.6 3.13 1732 1676 A 120 GLU H A 119 TYR HB2 1.0 1.6 4.83 1733 1677 A 120 GLU H A 119 TYR HB3 1.0 1.6 5.50 1734 1678 A 120 GLU H A 119 TYR H 1.0 1.6 4.65 1735 1679 A 121 GLY H A 119 TYR HA 1.0 1.6 4.62 1736 1680 A 121 GLY H A 119 TYR H 1.0 1.6 4.71 1737 1681 A 122 VAL H A 119 TYR HA 1.0 1.6 5.38 1738 1682 A 119 TYR HA A 122 VAL HGx% 1.0 1.6 5.50 1739 1682 A 122 VAL HGy% A 119 TYR HA 1.0 1.6 5.50 1740 1683 A 122 VAL HB A 119 TYR H 1.0 1.6 4.33 1741 1684 A 122 VAL H A 119 TYR H 1.0 1.6 3.54 1742 1685 A 119 TYR H A 122 VAL HGx% 1.0 1.6 4.41 1743 1685 A 122 VAL HGy% A 119 TYR H 1.0 1.6 4.41 1744 1686 A 123 GLU HA A 119 TYR H 1.0 1.6 4.06 1745 1687 A 124 ALA H A 119 TYR H 1.0 1.6 5.05 1746 1688 A 120 GLU HG2 A 120 GLU HA 1.0 1.6 4.19 1747 1689 A 120 GLU HG3 A 120 GLU HA 1.0 1.6 3.86 1748 1690 A 120 GLU HG2 A 120 GLU H 1.0 1.6 3.95 1749 1691 A 120 GLU H A 120 GLU HG3 1.0 1.6 3.86 1750 1692 A 121 GLY H A 120 GLU HA 1.0 1.6 3.25 1751 1693 A 120 GLU HA A 121 GLY HA3 1.0 1.6 5.50 1752 1694 A 120 GLU HBx A 121 GLY H 1.0 1.6 5.00 1753 1695 A 121 GLY H A 120 GLU HB3 1.0 1.6 4.62 1754 1696 A 121 GLY H A 120 GLU HG3 1.0 1.6 5.13 1755 1697 A 120 GLU H A 121 GLY H 1.0 1.6 3.72 1756 1698 A 122 VAL H A 120 GLU HA 1.0 1.6 4.78 1757 1699 A 120 GLU HA A 122 VAL HGx% 1.0 1.6 5.44 1758 1699 A 122 VAL HGy% A 120 GLU HA 1.0 1.6 5.44 1759 1700 A 120 GLU HBx A 122 VAL H 1.0 1.6 4.85 1760 1701 A 122 VAL H A 120 GLU HB3 1.0 1.6 4.75 1761 1702 A 120 GLU H A 122 VAL H 1.0 1.6 5.05 1762 1703 A 122 VAL HB A 121 GLY H 1.0 1.6 4.98 1763 1704 A 122 VAL HA A 122 VAL HGx% 1.0 1.6 3.04 1764 1704 A 122 VAL HGy% A 122 VAL HA 1.0 1.6 3.04 1765 1705 A 122 VAL HB A 122 VAL H 1.0 1.6 3.04 1766 1706 A 122 VAL H A 122 VAL HGx% 1.0 1.6 3.13 1767 1706 A 122 VAL HGy% A 122 VAL H 1.0 1.6 3.13 1768 1707 A 122 VAL HA A 123 GLU HB3 1.0 1.6 4.71 1769 1708 A 122 VAL HA A 123 GLU H 1.0 1.6 2.75 1770 1709 A 122 VAL HA A 123 GLU HA 1.0 1.6 5.04 1771 1710 A 123 GLU H A 122 VAL HB 1.0 1.6 4.41 1772 1711 A 123 GLU H A 122 VAL HGx% 1.0 1.6 3.41 1773 1711 A 122 VAL HGy% A 123 GLU H 1.0 1.6 3.41 1774 1712 A 122 VAL HA A 124 ALA H 1.0 1.6 5.37 1775 1713 A 123 GLU HG2 A 123 GLU HA 1.0 1.6 4.12 1776 1714 A 123 GLU H A 123 GLU HB2 1.0 1.6 3.21 1777 1715 A 123 GLU H A 123 GLU HB3 1.0 1.6 3.43 1778 1716 A 124 ALA H A 123 GLU HA 1.0 1.6 2.92 1779 1717 A 123 GLU HG2 A 124 ALA H 1.0 1.6 4.01 1780 1718 A 123 GLU HG3 A 124 ALA H 1.0 1.6 3.89 1781 1719 A 124 ALA HA A 123 GLU HG3 1.0 1.6 5.45 1782 1720 A 123 GLU H A 124 ALA H 1.0 1.6 4.69 1783 1721 A 124 ALA HA A 125 LYS H 1.0 1.6 3.16 1784 1722 A 125 LYS H A 124 ALA H 1.0 1.6 4.69 1785 1723 A 125 LYS HB3 A 125 LYS HG3 1.0 1.6 2.77 1786 1724 A 125 LYS H A 125 LYS HG2 1.0 1.6 5.50 1787 1725 A 126 ARG H A 125 LYS HA 1.0 1.6 3.49 1788 1726 A 126 ARG H A 125 LYS HB2 1.0 1.6 4.60 1789 1727 A 126 ARG H A 125 LYS HB3 1.0 1.6 4.29 1790 1728 A 126 ARG HE A 126 ARG HA 1.0 1.6 5.50 1791 1729 A 126 ARG HDy A 126 ARG HA 1.0 1.6 4.36 1792 1730 A 126 ARG HA A 126 ARG HD2 1.0 1.6 4.44 1793 1731 A 126 ARG H A 126 ARG HG3 1.0 1.6 5.47 1794 1732 A 126 ARG HA A 127 ILE H 1.0 1.6 3.33 1795 1733 A 127 ILE HA A 127 ILE HG13 1.0 1.6 4.20 1796 1734 A 127 ILE HA A 127 ILE HG12 1.0 1.6 4.13 1797 1735 A 127 ILE H A 127 ILE HB 1.0 1.6 3.35 1798 1736 A 127 ILE H A 127 ILE HG13 1.0 1.6 4.20 1799 1737 A 127 ILE H A 127 ILE HG12 1.0 1.6 4.59 1800 1738 A 127 ILE HA A 128 PHE H 1.0 1.6 3.31 1801 1739 A 127 ILE HB A 128 PHE H 1.0 1.6 5.31 1802 1740 A 128 PHE H A 127 ILE HG13 1.0 1.6 4.83 1803 1741 A 127 ILE H A 128 PHE H 1.0 1.6 5.20 1804 1742 A 128 PHE HB2 A 128 PHE H 1.0 1.6 4.12 1805 1743 A 129 LYS H A 128 PHE HA 1.0 1.6 3.19 1806 1744 A 128 PHE HA A 129 LYS HB3 1.0 1.6 4.83 1807 1745 A 129 LYS H A 128 PHE HB2 1.0 1.6 4.79 1808 1746 A 129 LYS H A 128 PHE HB3 1.0 1.6 4.02 1809 1747 A 129 LYS H A 128 PHE H 1.0 1.6 4.97 1810 1748 A 129 LYS HA A 129 LYS HG2 1.0 1.6 4.19 1811 1749 A 129 LYS HA A 129 LYS HG3 1.0 1.6 3.69 1812 1750 A 129 LYS HE2 A 129 LYS HB2 1.0 1.6 5.28 1813 1751 A 129 LYS HE3 A 129 LYS HB3 1.0 1.6 5.50 1814 1752 A 129 LYS H A 129 LYS HE2 1.0 1.6 5.50 1815 1753 A 129 LYS H A 129 LYS HB3 1.0 1.6 3.72 1816 1754 A 129 LYS H A 129 LYS HB2 1.0 1.6 4.15 1817 1755 A 129 LYS H A 129 LYS HG2 1.0 1.6 4.79 1818 1756 A 129 LYS H A 129 LYS HG3 1.0 1.6 4.89 1819 1757 A 129 LYS HA A 130 LYS H 1.0 1.6 2.99 1820 1758 A 130 LYS HG3 A 129 LYS HA 1.0 1.6 5.11 1821 1759 A 130 LYS H A 129 LYS HB2 1.0 1.6 3.90 1822 1760 A 130 LYS H A 129 LYS HB3 1.0 1.6 4.04 1823 1761 A 130 LYS H A 129 LYS HG2 1.0 1.6 3.30 1824 1762 A 130 LYS H A 129 LYS HG3 1.0 1.6 4.07 1825 1763 A 129 LYS H A 130 LYS H 1.0 1.6 4.93 1826 1764 A 131 ASP HA A 129 LYS HE2 1.0 1.6 4.49 1827 1765 A 130 LYS HE2 A 130 LYS HA 1.0 1.6 4.99 1828 1766 A 130 LYS HD3 A 130 LYS HA 1.0 1.6 5.02 1829 1767 A 130 LYS HD2 A 130 LYS HA 1.0 1.6 5.50 1830 1768 A 130 LYS HG3 A 130 LYS HA 1.0 1.6 3.98 1831 1769 A 130 LYS HE2 A 130 LYS HB2 1.0 1.6 5.50 1832 1770 A 130 LYS HB3 A 130 LYS HE3 1.0 1.6 4.56 1833 1771 A 130 LYS HE2 A 130 LYS HB3 1.0 1.6 5.50 1834 1772 A 130 LYS HE2 A 130 LYS HG2 1.0 1.6 4.24 1835 1773 A 130 LYS HE2 A 130 LYS HG3 1.0 1.6 3.99 1836 1774 A 130 LYS HG3 A 130 LYS HE3 1.0 1.6 4.07 1837 1775 A 130 LYS H A 130 LYS HE3 1.0 1.6 5.50 1838 1776 A 130 LYS HG2 A 130 LYS H 1.0 1.6 3.64 1839 1777 A 130 LYS HG3 A 130 LYS H 1.0 1.6 3.95 1840 1778 A 130 LYS HE2 A 130 LYS H 1.0 1.6 5.46 1841 1779 A 130 LYS H A 130 LYS HB3 1.0 1.6 3.45 1842 1780 A 130 LYS H A 130 LYS HB2 1.0 1.6 3.53 1843 1781 A 130 LYS HD3 A 130 LYS H 1.0 1.6 4.86 1844 1782 A 130 LYS HA A 131 ASP H 1.0 1.6 2.78 1845 1783 A 130 LYS HA A 131 ASP HB3 1.0 1.6 5.39 1846 1784 A 130 LYS HA A 131 ASP HB2 1.0 1.6 5.12 1847 1785 A 130 LYS HA A 131 ASP HA 1.0 1.6 4.93 1848 1786 A 131 ASP H A 130 LYS HB2 1.0 1.6 3.58 1849 1787 A 131 ASP HA A 130 LYS HB2 1.0 1.6 4.44 1850 1788 A 131 ASP H A 130 LYS HB3 1.0 1.6 4.35 1851 1789 A 130 LYS HD2 A 131 ASP H 1.0 1.6 5.43 1852 1790 A 130 LYS HG3 A 131 ASP H 1.0 1.6 4.18 1853 1791 A 131 ASP H A 130 LYS H 1.0 1.6 4.65 1854 1792 A 131 ASP H A 131 ASP HB3 1.0 1.6 3.35 1855 1793 A 131 ASP H A 131 ASP HB2 1.0 1.6 3.39 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 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 6 TRP H A 38 LEU O 1.0 1.65 2.6 2 2 A 38 LEU O A 6 TRP N 1.0 2.45 3.6 3 3 A 7 LYS H A 129 LYS O 1.0 1.65 2.6 4 4 A 129 LYS O A 7 LYS N 1.0 2.45 3.6 5 5 A 8 VAL H A 36 LEU O 1.0 1.65 2.6 6 6 A 36 LEU O A 8 VAL N 1.0 2.45 3.6 7 7 A 12 GLU H A 125 LYS O 1.0 1.65 2.6 8 8 A 125 LYS O A 12 GLU N 1.0 2.45 3.6 9 9 A 18 MET H A 14 TYR O 1.0 1.65 2.6 10 10 A 14 TYR O A 18 MET N 1.0 2.45 3.6 11 11 A 19 GLU H A 15 ASP O 1.0 1.65 2.6 12 12 A 15 ASP O A 19 GLU N 1.0 2.45 3.6 13 13 A 20 LYS H A 16 LYS O 1.0 1.65 2.6 14 14 A 16 LYS O A 20 LYS N 1.0 2.45 3.6 15 15 A 28 ARG H A 24 ASN O 1.0 1.65 2.6 16 16 A 24 ASN O A 28 ARG N 1.0 2.45 3.6 17 17 A 29 LYS H A 25 ILE O 1.0 1.65 2.6 18 18 A 25 ILE O A 29 LYS N 1.0 2.45 3.6 19 19 A 30 LEU H A 26 VAL O 1.0 1.65 2.6 20 20 A 26 VAL O A 30 LEU N 1.0 2.45 3.6 21 21 A 37 LYS H A 52 SER O 1.0 1.65 2.6 22 22 A 52 SER O A 37 LYS N 1.0 2.45 3.6 23 23 A 38 LEU H A 6 TRP O 1.0 1.65 2.6 24 24 A 6 TRP O A 38 LEU N 1.0 2.45 3.6 25 25 A 40 ILE H A 4 SER O 1.0 1.65 2.6 26 26 A 4 SER O A 40 ILE N 1.0 2.45 3.6 27 27 A 43 GLU H A 46 LYS O 1.0 1.65 2.6 28 28 A 46 LYS O A 43 GLU N 1.0 2.45 3.6 29 29 A 50 LYS H A 39 THR O 1.0 1.65 2.6 30 30 A 39 THR O A 50 LYS N 1.0 2.45 3.6 31 31 A 51 GLU H A 58 ILE O 1.0 1.65 2.6 32 32 A 58 ILE O A 51 GLU N 1.0 2.45 3.6 33 33 A 52 SER H A 37 LYS O 1.0 1.65 2.6 34 34 A 37 LYS O A 52 SER N 1.0 2.45 3.6 35 35 A 58 ILE H A 51 GLU O 1.0 1.65 2.6 36 36 A 51 GLU O A 58 ILE N 1.0 2.45 3.6 37 37 A 60 VAL H A 49 VAL O 1.0 1.65 2.6 38 38 A 49 VAL O A 60 VAL N 1.0 2.45 3.6 39 39 A 68 PHE H A 80 GLY O 1.0 1.65 2.6 40 40 A 80 GLY O A 68 PHE N 1.0 2.45 3.6 41 41 A 70 TYR H A 78 LEU O 1.0 1.65 2.6 42 42 A 78 LEU O A 70 TYR N 1.0 2.45 3.6 43 43 A 79 ARG H A 94 LYS O 1.0 1.65 2.6 44 44 A 94 LYS O A 79 ARG N 1.0 2.45 3.6 45 45 A 80 GLY H A 68 PHE O 1.0 1.65 2.6 46 46 A 68 PHE O A 80 GLY N 1.0 2.45 3.6 47 47 A 81 THR H A 92 LYS O 1.0 1.65 2.6 48 48 A 92 LYS O A 81 THR N 1.0 2.45 3.6 49 49 A 83 SER H A 90 ILE O 1.0 1.65 2.6 50 50 A 90 ILE O A 83 SER N 1.0 2.45 3.6 51 51 A 85 GLU H A 88 LYS O 1.0 1.65 2.6 52 52 A 88 LYS O A 85 GLU N 1.0 2.45 3.6 53 53 A 88 LYS H A 85 GLU O 1.0 1.65 2.6 54 54 A 85 GLU O A 88 LYS N 1.0 2.45 3.6 55 55 A 90 ILE H A 83 SER O 1.0 1.65 2.6 56 56 A 83 SER O A 90 ILE N 1.0 2.45 3.6 57 57 A 91 GLY H A 104 THR O 1.0 1.65 2.6 58 58 A 104 THR O A 91 GLY N 1.0 2.45 3.6 59 59 A 92 LYS H A 81 THR O 1.0 1.65 2.6 60 60 A 81 THR O A 92 LYS N 1.0 2.45 3.6 61 61 A 93 PHE H A 102 LEU O 1.0 1.65 2.6 62 62 A 102 LEU O A 93 PHE N 1.0 2.45 3.6 63 63 A 94 LYS H A 79 ARG O 1.0 1.65 2.6 64 64 A 79 ARG O A 94 LYS N 1.0 2.45 3.6 65 65 A 99 GLY H A 95 ARG O 1.0 1.65 2.6 66 66 A 95 ARG O A 99 GLY N 1.0 2.45 3.6 67 67 A 102 LEU H A 93 PHE O 1.0 1.65 2.6 68 68 A 93 PHE O A 102 LEU N 1.0 2.45 3.6 69 69 A 103 ASN H A 118 VAL O 1.0 1.65 2.6 70 70 A 118 VAL O A 103 ASN N 1.0 2.45 3.6 71 71 A 104 THR H A 91 GLY O 1.0 1.65 2.6 72 72 A 91 GLY O A 104 THR N 1.0 2.45 3.6 73 73 A 105 VAL H A 116 THR O 1.0 1.65 2.6 74 74 A 116 THR O A 105 VAL N 1.0 2.45 3.6 75 75 A 106 ARG H A 89 LEU O 1.0 1.65 2.6 76 76 A 89 LEU O A 106 ARG N 1.0 2.45 3.6 77 77 A 107 GLU H A 114 VAL O 1.0 1.65 2.6 78 78 A 114 VAL O A 107 GLU N 1.0 2.45 3.6 79 79 A 109 ILE H A 112 GLU O 1.0 1.65 2.6 80 80 A 112 GLU O A 109 ILE N 1.0 2.45 3.6 81 81 A 113 LEU H A 128 PHE O 1.0 1.65 2.6 82 82 A 128 PHE O A 113 LEU N 1.0 2.45 3.6 83 83 A 114 VAL H A 107 GLU O 1.0 1.65 2.6 84 84 A 107 GLU O A 114 VAL N 1.0 2.45 3.6 85 85 A 115 GLN H A 126 ARG O 1.0 1.65 2.6 86 86 A 126 ARG O A 115 GLN N 1.0 2.45 3.6 87 87 A 116 THR H A 105 VAL O 1.0 1.65 2.6 88 88 A 105 VAL O A 116 THR N 1.0 2.45 3.6 89 89 A 117 TYR H A 124 ALA O 1.0 1.65 2.6 90 90 A 124 ALA O A 117 TYR N 1.0 2.45 3.6 91 91 A 118 VAL H A 103 ASN O 1.0 1.65 2.6 92 92 A 103 ASN O A 118 VAL N 1.0 2.45 3.6 93 93 A 119 TYR H A 122 VAL O 1.0 1.65 2.6 94 94 A 122 VAL O A 119 TYR N 1.0 2.45 3.6 95 95 A 122 VAL H A 119 TYR O 1.0 1.65 2.6 96 96 A 119 TYR O A 122 VAL N 1.0 2.45 3.6 97 97 A 124 ALA H A 117 TYR O 1.0 1.65 2.6 98 98 A 117 TYR O A 124 ALA N 1.0 2.45 3.6 99 99 A 125 LYS H A 12 GLU O 1.0 1.65 2.6 100 100 A 12 GLU O A 125 LYS N 1.0 2.45 3.6 101 101 A 126 ARG H A 115 GLN O 1.0 1.65 2.6 102 102 A 115 GLN O A 126 ARG N 1.0 2.45 3.6 103 103 A 127 ILE H A 10 ARG O 1.0 1.65 2.6 104 104 A 10 ARG O A 127 ILE N 1.0 2.45 3.6 105 105 A 129 LYS H A 7 LYS O 1.0 1.65 2.6 106 106 A 7 LYS O A 129 LYS N 1.0 2.45 3.6 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 -1 THR C A 0 GLN N A 0 GLN CA A 0 GLN C 1.0 -110.30 -33.38 PHI 2 2 A 0 GLN C A 1 ALA N A 1 ALA CA A 1 ALA C 1.0 -110.47 -20.47 PHI 3 3 A 1 ALA C A 2 PHE N A 2 PHE CA A 2 PHE C 1.0 -128.93 -38.93 PHI 4 4 A 3 ASP C A 4 SER N A 4 SER CA A 4 SER C 1.0 -144.86 -34.86 PHI 5 5 A 5 THR C A 6 TRP N A 6 TRP CA A 6 TRP C 1.0 -145.04 -67.34 PHI 6 6 A 6 TRP C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -158.38 -98.38 PHI 7 7 A 7 LYS C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -100.41 -40.41 PHI 8 8 A 8 VAL C A 9 ASP N A 9 ASP CA A 9 ASP C 1.0 -133.57 -62.81 PHI 9 9 A 9 ASP C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -197.51 -103.95 PHI 10 10 A 10 ARG C A 11 SER N A 11 SER CA A 11 SER C 1.0 -172.08 -77.00 PHI 11 11 A 11 SER C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -164.38 -56.58 PHI 12 12 A 13 ASN C A 14 TYR N A 14 TYR CA A 14 TYR C 1.0 -88.40 -28.40 PHI 13 13 A 14 TYR C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -92.60 -32.60 PHI 14 14 A 15 ASP C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -98.42 -38.42 PHI 15 15 A 16 LYS C A 17 PHE N A 17 PHE CA A 17 PHE C 1.0 -93.43 -33.43 PHI 16 16 A 17 PHE C A 18 MET N A 18 MET CA A 18 MET C 1.0 -92.47 -32.47 PHI 17 17 A 18 MET C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -97.59 -37.59 PHI 18 18 A 19 GLU C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -96.25 -36.25 PHI 19 19 A 20 LYS C A 21 MET N A 21 MET CA A 21 MET C 1.0 -113.79 -53.79 PHI 20 20 A 21 MET C A 22 GLY N A 22 GLY CA A 22 GLY C 1.0 64.77 124.77 PHI 21 21 A 22 GLY C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -105.65 -45.65 PHI 22 22 A 23 VAL C A 24 ASN N A 24 ASN CA A 24 ASN C 1.0 -114.37 -34.57 PHI 23 23 A 24 ASN C A 25 ILE N A 25 ILE CA A 25 ILE C 1.0 -87.39 -27.39 PHI 24 24 A 25 ILE C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -94.42 -34.42 PHI 25 25 A 26 VAL C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -91.05 -31.05 PHI 26 26 A 27 LYS C A 28 ARG N A 28 ARG CA A 28 ARG C 1.0 -96.55 -36.55 PHI 27 27 A 28 ARG C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -93.75 -33.75 PHI 28 28 A 29 LYS C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -95.70 -35.70 PHI 29 29 A 30 LEU C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -95.98 -35.98 PHI 30 30 A 31 ALA C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -110.15 -47.45 PHI 31 31 A 32 ALA C A 33 HIS N A 33 HIS CA A 33 HIS C 1.0 -138.04 -72.62 PHI 32 32 A 34 ASP C A 35 ASN N A 35 ASN CA A 35 ASN C 1.0 31.63 91.63 PHI 33 33 A 35 ASN C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -107.73 -47.73 PHI 34 34 A 36 LEU C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -149.95 -77.33 PHI 35 35 A 37 LYS C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -160.45 -100.43 PHI 36 36 A 38 LEU C A 39 THR N A 39 THR CA A 39 THR C 1.0 -130.77 -70.77 PHI 37 37 A 39 THR C A 40 ILE N A 40 ILE CA A 40 ILE C 1.0 -156.30 -59.22 PHI 38 38 A 40 ILE C A 41 THR N A 41 THR CA A 41 THR C 1.0 -149.91 -82.95 PHI 39 39 A 41 THR C A 42 GLN N A 42 GLN CA A 42 GLN C 1.0 -137.36 -77.36 PHI 40 40 A 42 GLN C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -150.82 -73.48 PHI 41 41 A 43 GLU C A 44 GLY N A 44 GLY CA A 44 GLY C 1.0 42.95 102.95 PHI 42 42 A 44 GLY C A 45 ASN N A 45 ASN CA A 45 ASN C 1.0 -123.49 -63.49 PHI 43 43 A 45 ASN C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -147.26 -71.30 PHI 44 44 A 46 LYS C A 47 PHE N A 47 PHE CA A 47 PHE C 1.0 -163.14 -96.16 PHI 45 45 A 47 PHE C A 48 THR N A 48 THR CA A 48 THR C 1.0 -132.35 -72.35 PHI 46 46 A 48 THR C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -144.63 -71.65 PHI 47 47 A 49 VAL C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -149.23 -66.23 PHI 48 48 A 50 LYS C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -150.92 -59.82 PHI 49 49 A 51 GLU C A 52 SER N A 52 SER CA A 52 SER C 1.0 -157.45 -81.09 PHI 50 50 A 52 SER C A 53 SER N A 53 SER CA A 53 SER C 1.0 -163.04 -67.40 PHI 51 51 A 53 SER C A 54 ALA N A 54 ALA CA A 54 ALA C 1.0 -105.85 -28.79 PHI 52 52 A 54 ALA C A 66 VAL N A 55 PHE CA A 66 VAL C 1.0 -108.27 -48.27 . 53 53 A 56 ARG C A 68 PHE N A 57 ASN CA A 68 PHE C 1.0 -181.37 -57.87 . 54 54 A 57 ASN C A 58 ILE N A 58 ILE CA A 58 ILE C 1.0 -165.51 -105.51 PHI 55 55 A 58 ILE C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 -169.11 -82.19 PHI 56 56 A 59 GLU C A 60 VAL N A 60 VAL CA A 60 VAL C 1.0 -156.38 -96.38 PHI 57 57 A 60 VAL C A 61 VAL N A 61 VAL CA A 61 VAL C 1.0 -160.91 -80.85 PHI 58 58 A 61 VAL C A 62 PHE N A 62 PHE CA A 62 PHE C 1.0 -164.89 -93.53 PHI 59 59 A 62 PHE C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -152.95 -90.49 PHI 60 60 A 63 GLU C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -138.86 -6.12 PHI 61 61 A 64 LEU C A 65 GLY N A 65 GLY CA A 65 GLY C 1.0 56.72 117.38 PHI 62 62 A 65 GLY C A 66 VAL N A 66 VAL CA A 66 VAL C 1.0 -122.48 -57.60 PHI 63 63 A 66 VAL C A 67 THR N A 67 THR CA A 67 THR C 1.0 -117.47 -53.79 PHI 64 64 A 67 THR C A 68 PHE N A 68 PHE CA A 68 PHE C 1.0 -166.61 -88.57 PHI 65 65 A 68 PHE C A 69 ASN N A 69 ASN CA A 69 ASN C 1.0 -172.06 -80.08 PHI 66 66 A 69 ASN C A 70 TYR N A 70 TYR CA A 70 TYR C 1.0 -161.49 -101.49 PHI 67 67 A 70 TYR C A 71 ASN N A 71 ASN CA A 71 ASN C 1.0 -179.88 -93.82 PHI 68 68 A 71 ASN C A 72 LEU N A 72 LEU CA A 72 LEU C 1.0 -141.51 -37.61 PHI 69 69 A 72 LEU C A 73 ALA N A 73 ALA CA A 73 ALA C 1.0 -90.24 -30.24 PHI 70 70 A 73 ALA C A 74 ASP N A 74 ASP CA A 74 ASP C 1.0 -123.60 -63.60 PHI 71 71 A 74 ASP C A 75 GLY N A 75 GLY CA A 75 GLY C 1.0 58.72 118.72 PHI 72 72 A 75 GLY C A 76 THR N A 76 THR CA A 76 THR C 1.0 -101.96 -41.96 PHI 73 73 A 76 THR C A 77 GLU N A 77 GLU CA A 77 GLU C 1.0 -129.11 -64.59 PHI 74 74 A 77 GLU C A 78 LEU N A 78 LEU CA A 78 LEU C 1.0 -154.07 -91.69 PHI 75 75 A 80 GLY C A 81 THR N A 81 THR CA A 81 THR C 1.0 -185.31 -113.03 PHI 76 76 A 81 THR C A 82 TRP N A 82 TRP CA A 82 TRP C 1.0 -167.03 -107.03 PHI 77 77 A 82 TRP C A 83 SER N A 83 SER CA A 83 SER C 1.0 -173.65 -83.75 PHI 78 78 A 83 SER C A 84 LEU N A 84 LEU CA A 84 LEU C 1.0 -180.92 -74.36 PHI 79 79 A 84 LEU C A 85 GLU N A 85 GLU CA A 85 GLU C 1.0 -161.40 -61.48 PHI 80 80 A 86 GLY C A 87 ASN N A 87 ASN CA A 87 ASN C 1.0 -126.97 -66.97 PHI 81 81 A 87 ASN C A 88 LYS N A 88 LYS CA A 88 LYS C 1.0 -188.40 -72.50 PHI 82 82 A 88 LYS C A 89 LEU N A 89 LEU CA A 89 LEU C 1.0 -147.94 -87.94 PHI 83 83 A 89 LEU C A 90 ILE N A 90 ILE CA A 90 ILE C 1.0 -129.64 -69.64 PHI 84 84 A 91 GLY C A 92 LYS N A 92 LYS CA A 92 LYS C 1.0 -144.44 -64.34 PHI 85 85 A 92 LYS C A 93 PHE N A 93 PHE CA A 93 PHE C 1.0 -172.51 -92.53 PHI 86 86 A 93 PHE C A 94 LYS N A 94 LYS CA A 94 LYS C 1.0 -169.87 -109.87 PHI 87 87 A 94 LYS C A 95 ARG N A 95 ARG CA A 95 ARG C 1.0 -137.75 -27.55 PHI 88 88 A 95 ARG C A 96 THR N A 96 THR CA A 96 THR C 1.0 -86.83 -26.83 PHI 89 89 A 97 ASP C A 98 ASN N A 98 ASN CA A 98 ASN C 1.0 -136.00 -76.00 PHI 90 90 A 98 ASN C A 99 GLY N A 99 GLY CA A 99 GLY C 1.0 57.47 117.47 PHI 91 91 A 101 GLU C A 102 LEU N A 102 LEU CA A 102 LEU C 1.0 -164.28 -104.28 PHI 92 92 A 102 LEU C A 103 ASN N A 103 ASN CA A 103 ASN C 1.0 -152.69 -92.69 PHI 93 93 A 103 ASN C A 104 THR N A 104 THR CA A 104 THR C 1.0 -148.99 -86.73 PHI 94 94 A 104 THR C A 105 VAL N A 105 VAL CA A 105 VAL C 1.0 -150.94 -90.94 PHI 95 95 A 105 VAL C A 106 ARG N A 106 ARG CA A 106 ARG C 1.0 -151.89 -90.99 PHI 96 96 A 106 ARG C A 107 GLU N A 107 GLU CA A 107 GLU C 1.0 -165.12 -103.44 PHI 97 97 A 107 GLU C A 108 ILE N A 108 ILE CA A 108 ILE C 1.0 -137.23 -77.23 PHI 98 98 A 108 ILE C A 109 ILE N A 109 ILE CA A 109 ILE C 1.0 -116.62 -46.72 PHI 99 99 A 110 GLY C A 111 ASP N A 111 ASP CA A 111 ASP C 1.0 -126.96 -63.42 PHI 100 100 A 111 ASP C A 112 GLU N A 112 GLU CA A 112 GLU C 1.0 -193.13 -93.03 PHI 101 101 A 112 GLU C A 113 LEU N A 113 LEU CA A 113 LEU C 1.0 -139.43 -79.43 PHI 102 102 A 113 LEU C A 114 VAL N A 114 VAL CA A 114 VAL C 1.0 -137.51 -58.41 PHI 103 103 A 114 VAL C A 115 GLN N A 115 GLN CA A 115 GLN C 1.0 -139.21 -71.53 PHI 104 104 A 115 GLN C A 116 THR N A 116 THR CA A 116 THR C 1.0 -140.49 -80.23 PHI 105 105 A 116 THR C A 117 TYR N A 117 TYR CA A 117 TYR C 1.0 -170.95 -97.23 PHI 106 106 A 117 TYR C A 118 VAL N A 118 VAL CA A 118 VAL C 1.0 -164.73 -91.13 PHI 107 107 A 118 VAL C A 119 TYR N A 119 TYR CA A 119 TYR C 1.0 -185.04 -88.28 PHI 108 108 A 120 GLU C A 121 GLY N A 121 GLY CA A 121 GLY C 1.0 52.76 112.76 PHI 109 109 A 121 GLY C A 122 VAL N A 122 VAL CA A 122 VAL C 1.0 -131.25 -71.25 PHI 110 110 A 122 VAL C A 123 GLU N A 123 GLU CA A 123 GLU C 1.0 -170.18 -84.26 PHI 111 111 A 123 GLU C A 124 ALA N A 124 ALA CA A 124 ALA C 1.0 -162.62 -102.62 PHI 112 112 A 124 ALA C A 125 LYS N A 125 LYS CA A 125 LYS C 1.0 -166.96 -89.38 PHI 113 113 A 125 LYS C A 126 ARG N A 126 ARG CA A 126 ARG C 1.0 -179.39 -96.11 PHI 114 114 A 126 ARG C A 127 ILE N A 127 ILE CA A 127 ILE C 1.0 -163.08 -81.20 PHI 115 115 A 127 ILE C A 128 PHE N A 128 PHE CA A 128 PHE C 1.0 -167.60 -75.30 PHI 116 116 A 128 PHE C A 129 LYS N A 129 LYS CA A 129 LYS C 1.0 -168.85 -108.85 PHI 117 117 A 129 LYS C A 130 LYS N A 130 LYS CA A 130 LYS C 1.0 -133.52 -42.70 PHI 118 118 A 1 ALA N A 1 ALA CA A 1 ALA C A 2 PHE N 1.0 -62.48 -2.48 PSI 119 119 A 2 PHE N A 2 PHE CA A 2 PHE C A 3 ASP N 1.0 -54.49 6.69 PSI 120 120 A 6 TRP N A 6 TRP CA A 6 TRP C A 7 LYS N 1.0 102.84 170.32 PSI 121 121 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 VAL N 1.0 101.24 161.24 PSI 122 122 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 ASP N 1.0 95.87 155.87 PSI 123 123 A 9 ASP N A 9 ASP CA A 9 ASP C A 10 ARG N 1.0 -72.89 7.29 PSI 124 124 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 SER N 1.0 134.00 194.00 PSI 125 125 A 11 SER N A 11 SER CA A 11 SER C A 12 GLU N 1.0 114.35 177.21 PSI 126 126 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 ASN N 1.0 118.37 178.37 PSI 127 127 A 14 TYR N A 14 TYR CA A 14 TYR C A 15 ASP N 1.0 -66.64 -6.64 PSI 128 128 A 15 ASP N A 15 ASP CA A 15 ASP C A 16 LYS N 1.0 -65.30 -5.30 PSI 129 129 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 PHE N 1.0 -62.07 -2.07 PSI 130 130 A 17 PHE N A 17 PHE CA A 17 PHE C A 18 MET N 1.0 -76.72 -16.72 PSI 131 131 A 18 MET N A 18 MET CA A 18 MET C A 19 GLU N 1.0 -70.14 -10.14 PSI 132 132 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 LYS N 1.0 -72.82 -12.82 PSI 133 133 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 MET N 1.0 -60.98 -0.98 PSI 134 134 A 21 MET N A 21 MET CA A 21 MET C A 22 GLY N 1.0 -34.13 25.87 PSI 135 135 A 22 GLY N A 22 GLY CA A 22 GLY C A 23 VAL N 1.0 -27.07 32.93 PSI 136 136 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 ASN N 1.0 104.81 164.81 PSI 137 137 A 24 ASN N A 24 ASN CA A 24 ASN C A 25 ILE N 1.0 122.44 182.44 PSI 138 138 A 25 ILE N A 25 ILE CA A 25 ILE C A 26 VAL N 1.0 -66.48 -6.48 PSI 139 139 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 LYS N 1.0 -74.20 -14.20 PSI 140 140 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 ARG N 1.0 -69.42 -9.42 PSI 141 141 A 28 ARG N A 28 ARG CA A 28 ARG C A 29 LYS N 1.0 -76.62 -16.62 PSI 142 142 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 LEU N 1.0 -72.55 -12.55 PSI 143 143 A 30 LEU N A 30 LEU CA A 30 LEU C A 31 ALA N 1.0 -64.71 -4.71 PSI 144 144 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 ALA N 1.0 -66.47 -6.47 PSI 145 145 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 HIS N 1.0 -41.51 18.49 PSI 146 146 A 33 HIS N A 33 HIS CA A 33 HIS C A 34 ASP N 1.0 -18.50 41.50 PSI 147 147 A 35 ASN N A 35 ASN CA A 35 ASN C A 36 LEU N 1.0 7.61 67.61 PSI 148 148 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 LYS N 1.0 105.19 165.19 PSI 149 149 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 LEU N 1.0 116.86 179.82 PSI 150 150 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 THR N 1.0 104.78 164.78 PSI 151 151 A 39 THR N A 39 THR CA A 39 THR C A 40 ILE N 1.0 94.36 154.36 PSI 152 152 A 40 ILE N A 40 ILE CA A 40 ILE C A 41 THR N 1.0 107.35 168.89 PSI 153 153 A 41 THR N A 41 THR CA A 41 THR C A 42 GLN N 1.0 89.19 167.19 PSI 154 154 A 42 GLN N A 42 GLN CA A 42 GLN C A 43 GLU N 1.0 81.55 155.57 PSI 155 155 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 GLY N 1.0 76.06 156.82 PSI 156 156 A 44 GLY N A 44 GLY CA A 44 GLY C A 45 ASN N 1.0 -151.68 -91.68 PSI 157 157 A 45 ASN N A 45 ASN CA A 45 ASN C A 46 LYS N 1.0 -36.73 28.33 PSI 158 158 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 PHE N 1.0 100.71 160.71 PSI 159 159 A 47 PHE N A 47 PHE CA A 47 PHE C A 48 THR N 1.0 118.79 178.79 PSI 160 160 A 48 THR N A 48 THR CA A 48 THR C A 49 VAL N 1.0 96.51 161.65 PSI 161 161 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 LYS N 1.0 98.19 158.19 PSI 162 162 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 GLU N 1.0 93.38 153.38 PSI 163 163 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 SER N 1.0 104.59 164.59 PSI 164 164 A 52 SER N A 52 SER CA A 52 SER C A 53 SER N 1.0 103.06 163.06 PSI 165 165 A 53 SER N A 53 SER CA A 53 SER C A 54 ALA N 1.0 138.82 200.44 PSI 166 166 A 54 ALA N A 54 ALA CA A 54 ALA C A 55 PHE N 1.0 -58.33 8.31 PSI 167 167 A 55 PHE N A 55 PHE CA A 55 PHE C A 56 ARG N 1.0 -52.13 7.87 PSI 168 168 A 57 ASN N A 57 ASN CA A 57 ASN C A 58 ILE N 1.0 127.19 187.19 PSI 169 169 A 58 ILE N A 58 ILE CA A 58 ILE C A 59 GLU N 1.0 128.83 188.83 PSI 170 170 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 VAL N 1.0 100.14 160.14 PSI 171 171 A 60 VAL N A 60 VAL CA A 60 VAL C A 61 VAL N 1.0 106.01 166.01 PSI 172 172 A 61 VAL N A 61 VAL CA A 61 VAL C A 62 PHE N 1.0 114.59 174.59 PSI 173 173 A 62 PHE N A 62 PHE CA A 62 PHE C A 63 GLU N 1.0 123.29 183.29 PSI 174 174 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 LEU N 1.0 117.70 177.70 PSI 175 175 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 GLY N 1.0 108.53 175.33 PSI 176 176 A 65 GLY N A 65 GLY CA A 65 GLY C A 66 VAL N 1.0 -35.22 24.78 PSI 177 177 A 66 VAL N A 66 VAL CA A 66 VAL C A 67 THR N 1.0 93.86 153.86 PSI 178 178 A 67 THR N A 67 THR CA A 67 THR C A 68 PHE N 1.0 97.82 159.20 PSI 179 179 A 68 PHE N A 68 PHE CA A 68 PHE C A 69 ASN N 1.0 127.19 187.19 PSI 180 180 A 69 ASN N A 69 ASN CA A 69 ASN C A 70 TYR N 1.0 116.52 176.52 PSI 181 181 A 70 TYR N A 70 TYR CA A 70 TYR C A 71 ASN N 1.0 111.05 172.75 PSI 182 182 A 71 ASN N A 71 ASN CA A 71 ASN C A 72 LEU N 1.0 100.79 196.23 PSI 183 183 A 72 LEU N A 72 LEU CA A 72 LEU C A 73 ALA N 1.0 139.45 199.45 PSI 184 184 A 73 ALA N A 73 ALA CA A 73 ALA C A 74 ASP N 1.0 -60.74 -0.74 PSI 185 185 A 74 ASP N A 74 ASP CA A 74 ASP C A 75 GLY N 1.0 -24.83 35.17 PSI 186 186 A 75 GLY N A 75 GLY CA A 75 GLY C A 76 THR N 1.0 -35.67 24.33 PSI 187 187 A 76 THR N A 76 THR CA A 76 THR C A 77 GLU N 1.0 98.52 158.52 PSI 188 188 A 77 GLU N A 77 GLU CA A 77 GLU C A 78 LEU N 1.0 101.09 161.09 PSI 189 189 A 78 LEU N A 78 LEU CA A 78 LEU C A 79 ARG N 1.0 127.45 187.45 PSI 190 190 A 81 THR N A 81 THR CA A 81 THR C A 82 TRP N 1.0 136.98 196.98 PSI 191 191 A 82 TRP N A 82 TRP CA A 82 TRP C A 83 SER N 1.0 121.40 181.40 PSI 192 192 A 83 SER N A 83 SER CA A 83 SER C A 84 LEU N 1.0 102.88 172.72 PSI 193 193 A 84 LEU N A 84 LEU CA A 84 LEU C A 85 GLU N 1.0 101.45 164.35 PSI 194 194 A 85 GLU N A 85 GLU CA A 85 GLU C A 86 GLY N 1.0 67.77 142.27 PSI 195 195 A 87 ASN N A 87 ASN CA A 87 ASN C A 88 LYS N 1.0 -46.33 28.43 PSI 196 196 A 88 LYS N A 88 LYS CA A 88 LYS C A 89 LEU N 1.0 120.63 180.63 PSI 197 197 A 89 LEU N A 89 LEU CA A 89 LEU C A 90 ILE N 1.0 99.46 159.46 PSI 198 198 A 90 ILE N A 90 ILE CA A 90 ILE C A 91 GLY N 1.0 85.93 145.93 PSI 199 199 A 92 LYS N A 92 LYS CA A 92 LYS C A 93 PHE N 1.0 104.97 164.97 PSI 200 200 A 93 PHE N A 93 PHE CA A 93 PHE C A 94 LYS N 1.0 127.80 187.80 PSI 201 201 A 94 LYS N A 94 LYS CA A 94 LYS C A 95 ARG N 1.0 122.32 182.32 PSI 202 202 A 95 ARG N A 95 ARG CA A 95 ARG C A 96 THR N 1.0 118.16 178.16 PSI 203 203 A 96 THR N A 96 THR CA A 96 THR C A 97 ASP N 1.0 -61.33 -1.33 PSI 204 204 A 98 ASN N A 98 ASN CA A 98 ASN C A 99 GLY N 1.0 -20.83 39.17 PSI 205 205 A 99 GLY N A 99 GLY CA A 99 GLY C A 100 ASN N 1.0 -24.25 35.75 PSI 206 206 A 102 LEU N A 102 LEU CA A 102 LEU C A 103 ASN N 1.0 105.07 166.53 PSI 207 207 A 103 ASN N A 103 ASN CA A 103 ASN C A 104 THR N 1.0 102.49 166.69 PSI 208 208 A 104 THR N A 104 THR CA A 104 THR C A 105 VAL N 1.0 102.65 162.65 PSI 209 209 A 105 VAL N A 105 VAL CA A 105 VAL C A 106 ARG N 1.0 115.50 175.50 PSI 210 210 A 106 ARG N A 106 ARG CA A 106 ARG C A 107 GLU N 1.0 111.54 171.54 PSI 211 211 A 107 GLU N A 107 GLU CA A 107 GLU C A 108 ILE N 1.0 123.29 183.29 PSI 212 212 A 108 ILE N A 108 ILE CA A 108 ILE C A 109 ILE N 1.0 92.42 152.42 PSI 213 213 A 109 ILE N A 109 ILE CA A 109 ILE C A 110 GLY N 1.0 96.16 157.72 PSI 214 214 A 111 ASP N A 111 ASP CA A 111 ASP C A 112 GLU N 1.0 -52.77 27.99 PSI 215 215 A 112 GLU N A 112 GLU CA A 112 GLU C A 113 LEU N 1.0 122.13 184.01 PSI 216 216 A 113 LEU N A 113 LEU CA A 113 LEU C A 114 VAL N 1.0 94.30 154.30 PSI 217 217 A 114 VAL N A 114 VAL CA A 114 VAL C A 115 GLN N 1.0 95.61 155.93 PSI 218 218 A 115 GLN N A 115 GLN CA A 115 GLN C A 116 THR N 1.0 83.90 158.96 PSI 219 219 A 116 THR N A 116 THR CA A 116 THR C A 117 TYR N 1.0 95.85 155.85 PSI 220 220 A 117 TYR N A 117 TYR CA A 117 TYR C A 118 VAL N 1.0 118.07 183.17 PSI 221 221 A 118 VAL N A 118 VAL CA A 118 VAL C A 119 TYR N 1.0 104.99 164.99 PSI 222 222 A 119 TYR N A 119 TYR CA A 119 TYR C A 120 GLU N 1.0 103.12 167.58 PSI 223 223 A 121 GLY N A 121 GLY CA A 121 GLY C A 122 VAL N 1.0 -33.86 26.14 PSI 224 224 A 122 VAL N A 122 VAL CA A 122 VAL C A 123 GLU N 1.0 91.35 164.11 PSI 225 225 A 123 GLU N A 123 GLU CA A 123 GLU C A 124 ALA N 1.0 96.82 193.06 PSI 226 226 A 124 ALA N A 124 ALA CA A 124 ALA C A 125 LYS N 1.0 125.71 185.71 PSI 227 227 A 125 LYS N A 125 LYS CA A 125 LYS C A 126 ARG N 1.0 117.28 177.28 PSI 228 228 A 126 ARG N A 126 ARG CA A 126 ARG C A 127 ILE N 1.0 109.94 181.24 PSI 229 229 A 127 ILE N A 127 ILE CA A 127 ILE C A 128 PHE N 1.0 103.51 163.51 PSI 230 230 A 128 PHE N A 128 PHE CA A 128 PHE C A 129 LYS N 1.0 128.24 188.24 PSI 231 231 A 129 LYS N A 129 LYS CA A 129 LYS C A 130 LYS N 1.0 122.71 182.71 PSI 232 232 A 130 LYS N A 130 LYS CA A 130 LYS C A 131 ASP N 1.0 87.51 152.49 PSI stop_ save_