data_nef_c18041_4a53 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 18042 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 -3 GLY start . false 2 A -2 ALA middle . . 3 A -1 MET middle . . 4 A 0 GLY middle . false 5 A 1 MET middle . . 6 A 2 SER middle . . 7 A 3 VAL middle . . 8 A 4 ALA middle . . 9 A 5 ASP middle . . 10 A 6 PHE middle . . 11 A 7 TYR middle . . 12 A 8 GLY middle . false 13 A 9 SER middle . . 14 A 10 ASN middle . . 15 A 11 VAL middle . . 16 A 12 GLU middle . . 17 A 13 VAL middle . . 18 A 14 LEU middle . . 19 A 15 LEU middle . . 20 A 16 ASN middle . . 21 A 17 ASN middle . . 22 A 18 ASP middle . . 23 A 19 SER middle . . 24 A 20 LYS middle . . 25 A 21 ALA middle . . 26 A 22 ARG middle . . 27 A 23 GLY middle . false 28 A 24 VAL middle . . 29 A 25 ILE middle . . 30 A 26 THR middle . . 31 A 27 ASN middle . . 32 A 28 PHE middle . . 33 A 29 ASP middle . . 34 A 30 SER middle . . 35 A 31 SER middle . . 36 A 32 ASN middle . . 37 A 33 SER middle . . 38 A 34 ILE middle . . 39 A 35 LEU middle . . 40 A 36 GLN middle . . 41 A 37 LEU middle . . 42 A 38 ARG middle . . 43 A 39 LEU middle . . 44 A 40 ALA middle . . 45 A 41 ASN middle . . 46 A 42 ASP middle . . 47 A 43 SER middle . . 48 A 44 THR middle . . 49 A 45 LYS middle . . 50 A 46 SER middle . . 51 A 47 ILE middle . . 52 A 48 VAL middle . . 53 A 49 THR middle . . 54 A 50 LYS middle . . 55 A 51 ASP middle . . 56 A 52 ILE middle . . 57 A 53 LYS middle . . 58 A 54 ASP middle . . 59 A 55 LEU middle . . 60 A 56 ARG middle . . 61 A 57 ILE middle . . 62 A 58 LEU middle . . 63 A 59 PRO middle . false 64 A 60 LYS middle . . 65 A 61 ASN middle . . 66 A 62 GLU middle . . 67 A 63 ILE middle . . 68 A 64 MET middle . . 69 A 65 PRO middle . false 70 A 66 LYS middle . . 71 A 67 ASN middle . . 72 A 68 GLY middle . false 73 A 69 THR middle . . 74 A 70 LYS middle . . 75 A 71 SER middle . . 76 A 72 PRO middle . false 77 A 73 SER middle . . 78 A 74 THR middle . . 79 A 75 ASN middle . . 80 A 76 SER middle . . 81 A 77 THR middle . . 82 A 78 LYS middle . . 83 A 79 LEU middle . . 84 A 80 LYS middle . . 85 A 81 SER middle . . 86 A 82 ALA middle . . 87 A 83 GLU middle . . 88 A 84 THR middle . . 89 A 85 TYR middle . . 90 A 86 SER middle . . 91 A 87 SER middle . . 92 A 88 LYS middle . . 93 A 89 ASN middle . . 94 A 90 LYS middle . . 95 A 91 TRP middle . . 96 A 92 SER middle . . 97 A 93 MET middle . . 98 A 94 ASP middle . . 99 A 95 CYS middle . . 100 A 96 ASP middle . . 101 A 97 GLU middle . . 102 A 98 GLU middle . . 103 A 99 PHE middle . . 104 A 100 ASP middle . . 105 A 101 PHE middle . . 106 A 102 ALA middle . . 107 A 103 ALA middle . . 108 A 104 ASN middle . . 109 A 105 LEU middle . . 110 A 106 GLU middle . . 111 A 107 LYS middle . . 112 A 108 PHE middle . . 113 A 109 ASP middle . . 114 A 110 LYS middle . . 115 A 111 LYS middle . . 116 A 112 GLN middle . . 117 A 113 VAL middle . . 118 A 114 PHE middle . . 119 A 115 ALA middle . . 120 A 116 GLU middle . . 121 A 117 PHE middle . . 122 A 118 ARG middle . . 123 A 119 GLU middle . . 124 A 120 LYS middle . . 125 A 121 ASP end . . 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 1 MET H H 1 8.06 0.02 A 1 MET HA H 1 4.48 0.02 A 1 MET C C 13 175.63 0.05 A 1 MET CA C 13 55.52 0.05 A 1 MET CB C 13 33.86 0.05 A 1 MET CG C 13 32.08 0.05 A 1 MET N N 15 119.36 0.05 A 2 SER H H 1 8.58 0.02 A 2 SER HBy H 1 3.85 0.02 A 2 SER CA C 13 57.09 0.05 A 2 SER CB C 13 64.00 0.05 A 2 SER N N 15 117.58 0.05 A 3 VAL H H 1 8.20 0.02 A 3 VAL HA H 1 3.63 0.02 A 3 VAL HB H 1 1.69 0.02 A 3 VAL HGx% H 1 0.83 0.02 A 3 VAL HGy% H 1 0.68 0.02 A 3 VAL C C 13 176.21 0.05 A 3 VAL CA C 13 64.95 0.05 A 3 VAL CB C 13 31.62 0.05 A 3 VAL CGy C 13 21.47 0.05 A 4 ALA H H 1 7.83 0.02 A 4 ALA HA H 1 3.49 0.02 A 4 ALA HB% H 1 1.22 0.02 A 4 ALA C C 13 178.88 0.05 A 4 ALA CA C 13 53.78 0.05 A 4 ALA CB C 13 18.22 0.05 A 4 ALA N N 15 120.78 0.05 A 5 ASP H H 1 7.64 0.02 A 5 ASP HA H 1 4.33 0.02 A 5 ASP HB2 H 1 2.44 0.02 A 5 ASP HB3 H 1 2.39 0.02 A 5 ASP C C 13 176.52 0.05 A 5 ASP CA C 13 55.75 0.05 A 5 ASP CB C 13 40.30 0.05 A 5 ASP N N 15 116.50 0.05 A 6 PHE H H 1 7.83 0.02 A 6 PHE HA H 1 4.52 0.02 A 6 PHE HB2 H 1 2.85 0.02 A 6 PHE HB3 H 1 3.26 0.02 A 6 PHE HD1 H 1 7.19 0.02 A 6 PHE HD2 H 1 7.19 0.02 A 6 PHE HE1 H 1 7.09 0.02 A 6 PHE HE2 H 1 7.09 0.02 A 6 PHE C C 13 175.92 0.05 A 6 PHE CA C 13 57.65 0.05 A 6 PHE CB C 13 39.27 0.05 A 6 PHE N N 15 116.52 0.05 A 7 TYR H H 1 7.53 0.02 A 7 TYR HA H 1 4.24 0.02 A 7 TYR HB2 H 1 3.08 0.02 A 7 TYR HB3 H 1 3.12 0.02 A 7 TYR HD1 H 1 7.02 0.02 A 7 TYR HD2 H 1 7.02 0.02 A 7 TYR HE1 H 1 6.80 0.02 A 7 TYR HE2 H 1 6.80 0.02 A 7 TYR C C 13 177.44 0.05 A 7 TYR CA C 13 58.78 0.05 A 7 TYR CB C 13 36.74 0.05 A 7 TYR N N 15 120.98 0.05 A 8 GLY H H 1 8.88 0.02 A 8 GLY HA2 H 1 3.45 0.02 A 8 GLY HA3 H 1 4.24 0.02 A 8 GLY C C 13 174.46 0.05 A 8 GLY CA C 13 45.28 0.05 A 8 GLY N N 15 113.37 0.05 A 9 SER H H 1 8.19 0.02 A 9 SER HA H 1 4.55 0.02 A 9 SER HB2 H 1 4.04 0.02 A 9 SER HB3 H 1 3.91 0.02 A 9 SER C C 13 172.61 0.05 A 9 SER CA C 13 59.70 0.05 A 9 SER CB C 13 64.14 0.05 A 9 SER N N 15 116.61 0.05 A 10 ASN H H 1 8.89 0.02 A 10 ASN HA H 1 5.01 0.02 A 10 ASN HB2 H 1 2.68 0.02 A 10 ASN HB3 H 1 2.68 0.02 A 10 ASN HD21 H 1 7.38 0.02 A 10 ASN HD22 H 1 6.68 0.02 A 10 ASN C C 13 174.74 0.05 A 10 ASN CA C 13 53.00 0.05 A 10 ASN CB C 13 39.56 0.05 A 10 ASN N N 15 123.09 0.05 A 11 VAL H H 1 9.23 0.02 A 11 VAL HA H 1 5.31 0.02 A 11 VAL HB H 1 1.95 0.02 A 11 VAL HG1% H 1 0.81 0.02 A 11 VAL HG2% H 1 0.70 0.02 A 11 VAL C C 13 173.81 0.05 A 11 VAL CA C 13 58.78 0.05 A 11 VAL CB C 13 36.24 0.05 A 11 VAL CG1 C 13 22.03 0.05 A 11 VAL CG2 C 13 19.65 0.05 A 11 VAL N N 15 117.74 0.05 A 12 GLU H H 1 8.76 0.02 A 12 GLU HA H 1 5.06 0.02 A 12 GLU HBy H 1 2.00 0.02 A 12 GLU HBx H 1 1.83 0.02 A 12 GLU HGy H 1 2.01 0.02 A 12 GLU HGx H 1 1.92 0.02 A 12 GLU C C 13 174.81 0.05 A 12 GLU CA C 13 55.06 0.05 A 12 GLU CB C 13 33.96 0.05 A 12 GLU CG C 13 38.19 0.05 A 12 GLU N N 15 119.81 0.05 A 13 VAL H H 1 9.40 0.02 A 13 VAL HA H 1 4.58 0.02 A 13 VAL HB H 1 1.92 0.02 A 13 VAL HGx% H 1 0.77 0.02 A 13 VAL HGy% H 1 0.86 0.02 A 13 VAL C C 13 173.47 0.05 A 13 VAL CA C 13 60.28 0.05 A 13 VAL CB C 13 33.77 0.05 A 13 VAL CGx C 13 21.36 0.05 A 13 VAL CGy C 13 23.13 0.05 A 13 VAL N N 15 126.17 0.05 A 14 LEU H H 1 8.72 0.02 A 14 LEU HA H 1 4.91 0.02 A 14 LEU HB2 H 1 1.37 0.02 A 14 LEU HB3 H 1 1.77 0.02 A 14 LEU HD1% H 1 0.89 0.02 A 14 LEU HD2% H 1 0.87 0.02 A 14 LEU HG H 1 1.58 0.02 A 14 LEU C C 13 176.06 0.05 A 14 LEU CA C 13 53.72 0.05 A 14 LEU CB C 13 43.72 0.05 A 14 LEU CD1 C 13 23.99 0.05 A 14 LEU CD2 C 13 26.15 0.05 A 14 LEU CG C 13 27.30 0.05 A 14 LEU N N 15 128.18 0.05 A 15 LEU H H 1 8.96 0.02 A 15 LEU HA H 1 5.08 0.02 A 15 LEU HB2 H 1 1.95 0.02 A 15 LEU HB3 H 1 1.70 0.02 A 15 LEU HD1% H 1 0.82 0.02 A 15 LEU HD2% H 1 0.76 0.02 A 15 LEU HG H 1 1.57 0.02 A 15 LEU C C 13 178.77 0.05 A 15 LEU CA C 13 54.53 0.05 A 15 LEU CB C 13 42.33 0.05 A 15 LEU CD1 C 13 24.82 0.05 A 15 LEU CD2 C 13 24.52 0.05 A 15 LEU CG C 13 28.64 0.05 A 15 LEU N N 15 127.32 0.05 A 16 ASN H H 1 8.58 0.02 A 16 ASN HA H 1 4.33 0.02 A 16 ASN HB2 H 1 2.81 0.02 A 16 ASN HB3 H 1 2.87 0.02 A 16 ASN HD21 H 1 7.63 0.02 A 16 ASN HD22 H 1 6.66 0.02 A 16 ASN C C 13 175.50 0.05 A 16 ASN CA C 13 55.66 0.05 A 16 ASN CB C 13 37.79 0.05 A 16 ASN N N 15 118.62 0.05 A 16 ASN ND2 N 15 111.42 0.05 A 17 ASN H H 1 7.73 0.02 A 17 ASN HA H 1 4.62 0.02 A 17 ASN HB2 H 1 3.28 0.02 A 17 ASN HB3 H 1 2.77 0.02 A 17 ASN HD2x H 1 6.9 0.02 A 17 ASN C C 13 175.49 0.05 A 17 ASN CA C 13 52.48 0.05 A 17 ASN CB C 13 37.14 0.05 A 17 ASN N N 15 116.44 0.05 A 18 ASP H H 1 8.35 0.02 A 18 ASP HA H 1 4.39 0.02 A 18 ASP HBx H 1 2.92 0.02 A 18 ASP C C 13 175.03 0.05 A 18 ASP CA C 13 56.81 0.05 A 18 ASP CB C 13 39.06 0.05 A 18 ASP N N 15 113.77 0.05 A 19 SER H H 1 7.66 0.02 A 19 SER HA H 1 4.56 0.02 A 19 SER HBy H 1 4.00 0.02 A 19 SER HBx H 1 3.79 0.02 A 19 SER C C 13 172.63 0.05 A 19 SER CA C 13 58.43 0.05 A 19 SER CB C 13 64.72 0.05 A 19 SER N N 15 114.18 0.05 A 20 LYS H H 1 8.33 0.02 A 20 LYS HA H 1 5.58 0.02 A 20 LYS HB2 H 1 1.61 0.02 A 20 LYS HB3 H 1 1.61 0.02 A 20 LYS HD2 H 1 1.57 0.02 A 20 LYS HD3 H 1 1.57 0.02 A 20 LYS HE2 H 1 2.92 0.02 A 20 LYS HE3 H 1 2.92 0.02 A 20 LYS HG2 H 1 1.35 0.02 A 20 LYS HG3 H 1 1.35 0.02 A 20 LYS C C 13 176.16 0.05 A 20 LYS CA C 13 54.77 0.05 A 20 LYS CB C 13 36.77 0.05 A 20 LYS CD C 13 29.69 0.05 A 20 LYS CE C 13 42.07 0.05 A 20 LYS CG C 13 25.43 0.05 A 20 LYS N N 15 118.57 0.05 A 21 ALA H H 1 8.84 0.02 A 21 ALA HA H 1 4.72 0.02 A 21 ALA HB% H 1 1.12 0.02 A 21 ALA C C 13 174.81 0.05 A 21 ALA CA C 13 50.82 0.05 A 21 ALA CB C 13 21.77 0.05 A 21 ALA N N 15 123.64 0.05 A 22 ARG H H 1 8.43 0.02 A 22 ARG HA H 1 5.57 0.02 A 22 ARG HBy H 1 1.82 0.02 A 22 ARG HBx H 1 1.73 0.02 A 22 ARG HD2 H 1 3.16 0.02 A 22 ARG HD3 H 1 3.16 0.02 A 22 ARG HGy H 1 1.69 0.02 A 22 ARG HGx H 1 1.58 0.02 A 22 ARG C C 13 175.09 0.05 A 22 ARG CA C 13 54.11 0.05 A 22 ARG CB C 13 33.87 0.05 A 22 ARG CD C 13 43.71 0.05 A 22 ARG CG C 13 27.66 0.05 A 22 ARG N N 15 120.67 0.05 A 23 GLY H H 1 8.50 0.02 A 23 GLY HAy H 1 4.18 0.02 A 23 GLY HAx H 1 4.12 0.02 A 23 GLY C C 13 170.52 0.05 A 23 GLY CA C 13 45.77 0.05 A 23 GLY N N 15 108.68 0.05 A 24 VAL H H 1 8.34 0.02 A 24 VAL HA H 1 4.90 0.02 A 24 VAL HB H 1 1.80 0.02 A 24 VAL HG1% H 1 0.73 0.02 A 24 VAL HG2% H 1 0.92 0.02 A 24 VAL C C 13 177.27 0.05 A 24 VAL CA C 13 60.23 0.05 A 24 VAL CB C 13 34.75 0.05 A 24 VAL CG1 C 13 20.75 0.05 A 24 VAL CG2 C 13 21.67 0.05 A 24 VAL N N 15 119.81 0.05 A 25 ILE H H 1 8.37 0.02 A 25 ILE HA H 1 4.33 0.02 A 25 ILE HB H 1 2.09 0.02 A 25 ILE HD1% H 1 0.82 0.02 A 25 ILE HG1y H 1 1.80 0.02 A 25 ILE HG1x H 1 0.84 0.02 A 25 ILE HG2% H 1 0.91 0.02 A 25 ILE C C 13 176.57 0.05 A 25 ILE CA C 13 62.98 0.05 A 25 ILE CB C 13 37.41 0.05 A 25 ILE CD1 C 13 14.02 0.05 A 25 ILE CG1 C 13 28.16 0.05 A 25 ILE CG2 C 13 17.57 0.05 A 25 ILE N N 15 125.98 0.05 A 26 THR H H 1 8.79 0.02 A 26 THR HA H 1 4.43 0.02 A 26 THR HB H 1 4.17 0.02 A 26 THR HG2% H 1 1.11 0.02 A 26 THR C C 13 174.64 0.05 A 26 THR CA C 13 61.62 0.05 A 26 THR CB C 13 69.61 0.05 A 26 THR CG2 C 13 22.76 0.05 A 26 THR N N 15 119.77 0.05 A 27 ASN H H 1 7.51 0.02 A 27 ASN HA H 1 4.59 0.02 A 27 ASN HB2 H 1 2.49 0.02 A 27 ASN HB3 H 1 2.84 0.02 A 27 ASN C C 13 172.43 0.05 A 27 ASN CA C 13 54.09 0.05 A 27 ASN CB C 13 42.05 0.05 A 27 ASN N N 15 116.60 0.05 A 28 PHE H H 1 8.37 0.02 A 28 PHE HA H 1 5.22 0.02 A 28 PHE HB2 H 1 2.98 0.02 A 28 PHE HB3 H 1 3.13 0.02 A 28 PHE HD1 H 1 7.10 0.02 A 28 PHE HD2 H 1 7.10 0.02 A 28 PHE HE1 H 1 6.80 0.02 A 28 PHE HE2 H 1 6.80 0.02 A 28 PHE C C 13 172.70 0.05 A 28 PHE CA C 13 56.84 0.05 A 28 PHE CB C 13 41.86 0.05 A 28 PHE N N 15 122.27 0.05 A 29 ASP H H 1 8.37 0.02 A 29 ASP HA H 1 4.69 0.02 A 29 ASP HBy H 1 2.81 0.02 A 29 ASP HBx H 1 2.51 0.02 A 29 ASP CA C 13 51.66 0.05 A 29 ASP CB C 13 41.50 0.05 A 29 ASP N N 15 127.20 0.05 A 32 ASN HD21 H 1 8.23 0.02 A 32 ASN HD22 H 1 6.80 0.02 A 32 ASN C C 13 173.71 0.05 A 32 ASN CA C 13 52.84 0.05 A 32 ASN CB C 13 39.78 0.05 A 32 ASN ND2 N 15 116.08 0.05 A 33 SER H H 1 7.83 0.02 A 33 SER HA H 1 3.88 0.02 A 33 SER HBy H 1 4.44 0.02 A 33 SER HBx H 1 4.00 0.02 A 33 SER C C 13 173.04 0.05 A 33 SER CA C 13 59.47 0.05 A 33 SER CB C 13 61.86 0.05 A 33 SER N N 15 115.51 0.05 A 34 ILE H H 1 7.48 0.02 A 34 ILE HA H 1 4.79 0.02 A 34 ILE HB H 1 1.56 0.02 A 34 ILE HD1% H 1 0.75 0.02 A 34 ILE HG1y H 1 1.47 0.02 A 34 ILE HG1x H 1 0.87 0.02 A 34 ILE HG2% H 1 0.75 0.02 A 34 ILE C C 13 174.50 0.05 A 34 ILE CA C 13 59.60 0.05 A 34 ILE CB C 13 41.68 0.05 A 34 ILE CD1 C 13 12.91 0.05 A 34 ILE CG1 C 13 27.61 0.05 A 34 ILE CG2 C 13 17.89 0.05 A 34 ILE N N 15 117.90 0.05 A 35 LEU H H 1 9.44 0.02 A 35 LEU HA H 1 4.99 0.02 A 35 LEU HB2 H 1 1.45 0.02 A 35 LEU HB3 H 1 1.86 0.02 A 35 LEU HD1% H 1 0.91 0.02 A 35 LEU HD2% H 1 0.71 0.02 A 35 LEU HG H 1 1.58 0.02 A 35 LEU C C 13 174.07 0.05 A 35 LEU CA C 13 53.62 0.05 A 35 LEU CB C 13 45.68 0.05 A 35 LEU CD1 C 13 25.27 0.05 A 35 LEU CD2 C 13 26.44 0.05 A 35 LEU CG C 13 26.76 0.05 A 35 LEU N N 15 130.16 0.05 A 36 GLN H H 1 8.72 0.02 A 36 GLN HA H 1 5.19 0.02 A 36 GLN HB2 H 1 1.89 0.02 A 36 GLN HB3 H 1 1.82 0.02 A 36 GLN HE21 H 1 7.15 0.02 A 36 GLN HE22 H 1 6.77 0.02 A 36 GLN HGy H 1 2.22 0.02 A 36 GLN HGx H 1 2.10 0.02 A 36 GLN C C 13 174.00 0.05 A 36 GLN CA C 13 54.87 0.05 A 36 GLN CB C 13 31.27 0.05 A 36 GLN CG C 13 34.51 0.05 A 36 GLN N N 15 124.26 0.05 A 36 GLN NE2 N 15 111.42 0.05 A 37 LEU H H 1 8.87 0.02 A 37 LEU HA H 1 5.17 0.02 A 37 LEU HB2 H 1 1.29 0.02 A 37 LEU HB3 H 1 1.29 0.02 A 37 LEU HD1% H 1 0.49 0.02 A 37 LEU HD2% H 1 0.49 0.02 A 37 LEU HG H 1 1.30 0.02 A 37 LEU C C 13 175.60 0.05 A 37 LEU CA C 13 52.45 0.05 A 37 LEU CB C 13 46.54 0.05 A 37 LEU CD1 C 13 25.28 0.05 A 37 LEU CD2 C 13 25.28 0.05 A 37 LEU CG C 13 27.41 0.05 A 37 LEU N N 15 124.12 0.05 A 38 ARG H H 1 9.46 0.02 A 38 ARG HA H 1 4.88 0.02 A 38 ARG HBy H 1 1.80 0.02 A 38 ARG HBx H 1 1.70 0.02 A 38 ARG HDy H 1 3.22 0.02 A 38 ARG HDx H 1 3.17 0.02 A 38 ARG HGy H 1 1.70 0.02 A 38 ARG HGx H 1 1.58 0.02 A 38 ARG C C 13 176.62 0.05 A 38 ARG CA C 13 55.21 0.05 A 38 ARG CB C 13 31.31 0.05 A 38 ARG CD C 13 43.31 0.05 A 38 ARG CG C 13 27.30 0.05 A 38 ARG N N 15 124.43 0.05 A 39 LEU H H 1 9.00 0.02 A 39 LEU HA H 1 4.71 0.02 A 39 LEU HBy H 1 1.83 0.02 A 39 LEU HBx H 1 1.74 0.02 A 39 LEU HDx% H 1 0.86 0.02 A 39 LEU HDy% H 1 0.87 0.02 A 39 LEU HG H 1 1.61 0.02 A 39 LEU C C 13 178.56 0.05 A 39 LEU CA C 13 54.85 0.05 A 39 LEU CB C 13 42.29 0.05 A 39 LEU CDx C 13 23.45 0.05 A 39 LEU CDy C 13 25.65 0.05 A 39 LEU CG C 13 27.64 0.05 A 39 LEU N N 15 128.99 0.05 A 40 ALA H H 1 8.68 0.02 A 40 ALA HA H 1 4.17 0.02 A 40 ALA HB% H 1 1.47 0.02 A 40 ALA C C 13 177.69 0.05 A 40 ALA CA C 13 54.69 0.05 A 40 ALA CB C 13 18.56 0.05 A 40 ALA N N 15 122.60 0.05 A 41 ASN H H 1 7.65 0.02 A 41 ASN C C 13 175.39 0.05 A 41 ASN CA C 13 52.34 0.05 A 41 ASN CB C 13 36.91 0.05 A 41 ASN N N 15 113.62 0.05 A 42 ASP H H 1 8.32 0.02 A 42 ASP HA H 1 4.32 0.02 A 42 ASP HBy H 1 2.94 0.02 A 42 ASP C C 13 175.22 0.05 A 42 ASP CA C 13 56.83 0.05 A 42 ASP CB C 13 39.30 0.05 A 42 ASP N N 15 114.01 0.05 A 43 SER H H 1 7.66 0.02 A 43 SER HA H 1 4.59 0.02 A 43 SER HB2 H 1 3.98 0.02 A 43 SER HB3 H 1 3.87 0.02 A 43 SER C C 13 172.14 0.05 A 43 SER CA C 13 58.44 0.05 A 43 SER CB C 13 64.80 0.05 A 43 SER N N 15 114.70 0.05 A 44 THR H H 1 8.41 0.02 A 44 THR HA H 1 5.31 0.02 A 44 THR HB H 1 3.97 0.02 A 44 THR HG2% H 1 1.05 0.02 A 44 THR C C 13 174.19 0.05 A 44 THR CA C 13 61.05 0.05 A 44 THR CB C 13 71.09 0.05 A 44 THR CG2 C 13 21.54 0.05 A 44 THR N N 15 114.20 0.05 A 45 LYS H H 1 9.14 0.02 A 45 LYS HA H 1 4.66 0.02 A 45 LYS HB2 H 1 1.64 0.02 A 45 LYS HB3 H 1 1.64 0.02 A 45 LYS HD2 H 1 1.57 0.02 A 45 LYS HD3 H 1 1.57 0.02 A 45 LYS HE2 H 1 3.0 0.02 A 45 LYS HE3 H 1 3.0 0.02 A 45 LYS HGy H 1 1.4 0.02 A 45 LYS HGx H 1 1.2 0.02 A 45 LYS C C 13 174.46 0.05 A 45 LYS CA C 13 54.77 0.05 A 45 LYS CB C 13 36.64 0.05 A 45 LYS CD C 13 29.51 0.05 A 45 LYS CE C 13 42.03 0.05 A 45 LYS CG C 13 24.95 0.05 A 45 LYS N N 15 126.64 0.05 A 46 SER H H 1 8.74 0.02 A 46 SER HA H 1 5.13 0.02 A 46 SER HB2 H 1 3.65 0.02 A 46 SER HB3 H 1 3.75 0.02 A 46 SER C C 13 173.57 0.05 A 46 SER CA C 13 57.88 0.05 A 46 SER CB C 13 63.88 0.05 A 46 SER N N 15 122.64 0.05 A 47 ILE H H 1 9.31 0.02 A 47 ILE HA H 1 4.35 0.02 A 47 ILE HB H 1 1.67 0.02 A 47 ILE HD1% H 1 0.66 0.02 A 47 ILE HG1y H 1 1.37 0.02 A 47 ILE HG1x H 1 0.99 0.02 A 47 ILE HG2% H 1 0.79 0.02 A 47 ILE C C 13 174.86 0.05 A 47 ILE CA C 13 59.72 0.05 A 47 ILE CB C 13 41.91 0.05 A 47 ILE CD1 C 13 14.05 0.05 A 47 ILE CG1 C 13 27.32 0.05 A 47 ILE CG2 C 13 18.05 0.05 A 47 ILE N N 15 126.59 0.05 A 48 VAL H H 1 8.95 0.02 A 48 VAL HA H 1 4.63 0.02 A 48 VAL HB H 1 2.21 0.02 A 48 VAL HG1% H 1 1.09 0.02 A 48 VAL HG2% H 1 1.04 0.02 A 48 VAL C C 13 179.17 0.05 A 48 VAL CA C 13 61.83 0.05 A 48 VAL CB C 13 31.31 0.05 A 48 VAL CG1 C 13 22.17 0.05 A 48 VAL CG2 C 13 21.36 0.05 A 48 VAL N N 15 128.15 0.05 A 49 THR H H 1 8.74 0.02 A 49 THR HA H 1 3.72 0.02 A 49 THR HB H 1 4.31 0.02 A 49 THR HG2% H 1 1.23 0.02 A 49 THR C C 13 177.51 0.05 A 49 THR CA C 13 66.29 0.05 A 49 THR CB C 13 67.50 0.05 A 49 THR CG2 C 13 22.91 0.05 A 49 THR N N 15 118.58 0.05 A 50 LYS H H 1 7.56 0.02 A 50 LYS HA H 1 4.28 0.02 A 50 LYS HB2 H 1 1.85 0.02 A 50 LYS HB3 H 1 1.85 0.02 A 50 LYS HD2 H 1 1.6 0.02 A 50 LYS HD3 H 1 1.6 0.02 A 50 LYS HE2 H 1 3.0 0.02 A 50 LYS HE3 H 1 3.0 0.02 A 50 LYS HG2 H 1 1.43 0.02 A 50 LYS HG3 H 1 1.43 0.02 A 50 LYS C C 13 176.18 0.05 A 50 LYS CA C 13 57.98 0.05 A 50 LYS CB C 13 31.76 0.05 A 50 LYS CD C 13 29.26 0.05 A 50 LYS CE C 13 41.79 0.05 A 50 LYS CG C 13 24.43 0.05 A 50 LYS N N 15 119.68 0.05 A 51 ASP H H 1 7.91 0.02 A 51 ASP HA H 1 4.80 0.02 A 51 ASP HB2 H 1 2.95 0.02 A 51 ASP HB3 H 1 2.73 0.02 A 51 ASP C C 13 175.15 0.05 A 51 ASP CA C 13 54.67 0.05 A 51 ASP CB C 13 41.19 0.05 A 51 ASP N N 15 118.39 0.05 A 52 ILE H H 1 7.46 0.02 A 52 ILE HA H 1 3.73 0.02 A 52 ILE HB H 1 1.93 0.02 A 52 ILE HD1% H 1 0.69 0.02 A 52 ILE HG1y H 1 1.72 0.02 A 52 ILE HG1x H 1 0.56 0.02 A 52 ILE HG2% H 1 0.67 0.02 A 52 ILE C C 13 174.72 0.05 A 52 ILE CA C 13 63.50 0.05 A 52 ILE CB C 13 38.62 0.05 A 52 ILE CD1 C 13 14.15 0.05 A 52 ILE CG1 C 13 27.88 0.05 A 52 ILE CG2 C 13 17.39 0.05 A 52 ILE N N 15 119.41 0.05 A 53 LYS H H 1 9.32 0.02 A 53 LYS HA H 1 4.37 0.02 A 53 LYS HB2 H 1 1.59 0.02 A 53 LYS HB3 H 1 1.53 0.02 A 53 LYS HDy H 1 1.72 0.02 A 53 LYS HDx H 1 1.68 0.02 A 53 LYS HE2 H 1 3.01 0.02 A 53 LYS HE3 H 1 3.01 0.02 A 53 LYS HG2 H 1 1.4 0.02 A 53 LYS HG3 H 1 1.4 0.02 A 53 LYS C C 13 176.03 0.05 A 53 LYS CA C 13 57.39 0.05 A 53 LYS CB C 13 33.99 0.05 A 53 LYS CD C 13 29.86 0.05 A 53 LYS CE C 13 41.65 0.05 A 53 LYS CG C 13 25.01 0.05 A 53 LYS N N 15 129.84 0.05 A 54 ASP H H 1 8.10 0.02 A 54 ASP HA H 1 4.76 0.02 A 54 ASP HBy H 1 2.62 0.02 A 54 ASP HBx H 1 2.50 0.02 A 54 ASP C C 13 172.82 0.05 A 54 ASP CA C 13 53.93 0.05 A 54 ASP CB C 13 45.02 0.05 A 54 ASP N N 15 116.89 0.05 A 55 LEU H H 1 8.29 0.02 A 55 LEU HA H 1 4.89 0.02 A 55 LEU HBy H 1 1.45 0.02 A 55 LEU HBx H 1 1.28 0.02 A 55 LEU HDx% H 1 0.51 0.02 A 55 LEU HDy% H 1 0.60 0.02 A 55 LEU HG H 1 1.28 0.02 A 55 LEU C C 13 173.88 0.05 A 55 LEU CA C 13 54.97 0.05 A 55 LEU CB C 13 45.36 0.05 A 55 LEU CDx C 13 25.35 0.05 A 55 LEU CDy C 13 26.09 0.05 A 55 LEU CG C 13 27.50 0.05 A 55 LEU N N 15 124.27 0.05 A 56 ARG H H 1 8.68 0.02 A 56 ARG HA H 1 4.74 0.02 A 56 ARG HB2 H 1 1.76 0.02 A 56 ARG HB3 H 1 1.76 0.02 A 56 ARG HDy H 1 3.15 0.02 A 56 ARG HDx H 1 3.06 0.02 A 56 ARG HG2 H 1 1.61 0.02 A 56 ARG HG3 H 1 1.61 0.02 A 56 ARG C C 13 174.32 0.05 A 56 ARG CA C 13 54.16 0.05 A 56 ARG CB C 13 33.02 0.05 A 56 ARG CD C 13 43.58 0.05 A 56 ARG CG C 13 27.24 0.05 A 56 ARG N N 15 123.54 0.05 A 57 ILE H H 1 8.60 0.02 A 57 ILE HA H 1 4.23 0.02 A 57 ILE HB H 1 1.75 0.02 A 57 ILE HD1% H 1 0.57 0.02 A 57 ILE HG1y H 1 1.36 0.02 A 57 ILE HG1x H 1 1.08 0.02 A 57 ILE HG2% H 1 0.94 0.02 A 57 ILE C C 13 175.99 0.05 A 57 ILE CA C 13 60.84 0.05 A 57 ILE CB C 13 37.39 0.05 A 57 ILE CD1 C 13 12.10 0.05 A 57 ILE CG1 C 13 27.96 0.05 A 57 ILE CG2 C 13 17.62 0.05 A 57 ILE N N 15 124.42 0.05 A 58 LEU H H 1 8.51 0.02 A 58 LEU HA H 1 4.62 0.02 A 58 LEU HB2 H 1 1.42 0.02 A 58 LEU HB3 H 1 1.42 0.02 A 58 LEU HDx% H 1 0.76 0.02 A 58 LEU HDy% H 1 0.73 0.02 A 58 LEU HG H 1 1.50 0.02 A 58 LEU CA C 13 52.45 0.05 A 58 LEU CB C 13 41.42 0.05 A 58 LEU CDx C 13 22.87 0.05 A 58 LEU CDy C 13 25.43 0.05 A 58 LEU CG C 13 27.20 0.05 A 58 LEU N N 15 129.80 0.05 A 59 PRO HDy H 1 3.57 0.02 A 59 PRO CD C 13 50.40 0.05 A 60 LYS HEy H 1 3.08 0.02 A 61 ASN C C 13 174.94 0.05 A 61 ASN CA C 13 53.42 0.05 A 61 ASN CB C 13 38.85 0.05 A 62 GLU H H 1 8.15 0.02 A 62 GLU HA H 1 4.22 0.02 A 62 GLU HB2 H 1 1.96 0.02 A 62 GLU HB3 H 1 1.96 0.02 A 62 GLU HGy H 1 2.10 0.02 A 62 GLU HGx H 1 1.94 0.02 A 62 GLU C C 13 175.95 0.05 A 62 GLU CA C 13 56.61 0.05 A 62 GLU CB C 13 30.38 0.05 A 62 GLU CG C 13 36.43 0.05 A 62 GLU N N 15 120.83 0.05 A 63 ILE H H 1 7.98 0.02 A 63 ILE HA H 1 4.12 0.02 A 63 ILE HB H 1 1.85 0.02 A 63 ILE HD1% H 1 0.84 0.02 A 63 ILE HG1y H 1 1.46 0.02 A 63 ILE HG1x H 1 1.16 0.02 A 63 ILE HG2% H 1 0.88 0.02 A 63 ILE C C 13 175.86 0.05 A 63 ILE CA C 13 61.05 0.05 A 63 ILE CB C 13 38.42 0.05 A 63 ILE CD1 C 13 12.87 0.05 A 63 ILE CG1 C 13 27.29 0.05 A 63 ILE CG2 C 13 17.59 0.05 A 63 ILE N N 15 121.32 0.05 A 64 MET H H 1 8.29 0.02 A 64 MET HA H 1 4.79 0.02 A 64 MET HBy H 1 2.04 0.02 A 64 MET HBx H 1 1.96 0.02 A 64 MET HGy H 1 2.64 0.02 A 64 MET HGx H 1 2.55 0.02 A 64 MET CA C 13 53.02 0.05 A 64 MET CB C 13 32.39 0.05 A 64 MET CG C 13 31.88 0.05 A 64 MET N N 15 125.31 0.05 A 78 LYS HA H 1 4.3 0.02 A 78 LYS HBy H 1 1.8 0.02 A 78 LYS HDy H 1 1.6 0.02 A 78 LYS HEy H 1 2.9 0.02 A 78 LYS HGy H 1 1.4 0.02 A 78 LYS CA C 13 56.43 0.05 A 78 LYS CB C 13 32.76 0.05 A 78 LYS CD C 13 29.22 0.05 A 78 LYS CE C 13 42.15 0.05 A 78 LYS CG C 13 24.81 0.05 A 79 LEU H H 1 8.11 0.02 A 79 LEU HA H 1 4.28 0.02 A 79 LEU HBy H 1 1.63 0.02 A 79 LEU HBx H 1 1.55 0.02 A 79 LEU HDx% H 1 0.85 0.02 A 79 LEU HDy% H 1 0.90 0.02 A 79 LEU HG H 1 1.59 0.02 A 79 LEU C C 13 177.30 0.05 A 79 LEU CA C 13 55.25 0.05 A 79 LEU CB C 13 42.35 0.05 A 79 LEU CDx C 13 23.55 0.05 A 79 LEU CDy C 13 25.11 0.05 A 79 LEU CG C 13 27.00 0.05 A 79 LEU N N 15 123.00 0.05 A 80 LYS H H 1 8.27 0.02 A 80 LYS HA H 1 4.27 0.02 A 80 LYS HBy H 1 1.83 0.02 A 80 LYS HBx H 1 1.75 0.02 A 80 LYS CA C 13 56.56 0.05 A 80 LYS N N 15 122.19 0.05 A 81 SER HA H 1 4.33 0.02 A 81 SER HBy H 1 3.88 0.02 A 81 SER C C 13 175.25 0.05 A 81 SER CA C 13 61.20 0.05 A 81 SER CB C 13 62.92 0.05 A 82 ALA H H 1 7.45 0.02 A 82 ALA HA H 1 4.75 0.02 A 82 ALA HB% H 1 1.39 0.02 A 82 ALA C C 13 177.79 0.05 A 82 ALA CA C 13 52.89 0.05 A 82 ALA CB C 13 19.21 0.05 A 82 ALA N N 15 116.69 0.05 A 83 GLU H H 1 8.30 0.02 A 83 GLU HA H 1 4.26 0.02 A 83 GLU HBy H 1 1.97 0.02 A 83 GLU HBx H 1 1.90 0.02 A 83 GLU HGy H 1 2.21 0.02 A 83 GLU C C 13 176.67 0.05 A 83 GLU CA C 13 56.83 0.05 A 83 GLU CB C 13 30.22 0.05 A 83 GLU CG C 13 36.36 0.05 A 83 GLU N N 15 119.44 0.05 A 84 THR H H 1 8.01 0.02 A 84 THR HA H 1 4.28 0.02 A 84 THR HB H 1 4.16 0.02 A 84 THR HG2% H 1 1.21 0.02 A 84 THR CA C 13 61.95 0.05 A 84 THR CB C 13 69.88 0.05 A 84 THR CG2 C 13 21.74 0.05 A 84 THR N N 15 114.20 0.05 A 90 LYS HA H 1 4.3 0.02 A 90 LYS HBy H 1 1.8 0.02 A 90 LYS HDy H 1 1.6 0.02 A 90 LYS HEy H 1 2.9 0.02 A 90 LYS HGy H 1 1.4 0.02 A 90 LYS C C 13 176.03 0.05 A 90 LYS CA C 13 56.82 0.05 A 90 LYS CB C 13 32.86 0.05 A 90 LYS CD C 13 29.10 0.05 A 90 LYS CE C 13 42.25 0.05 A 90 LYS CG C 13 24.47 0.05 A 91 TRP H H 1 8.04 0.02 A 91 TRP HA H 1 4.63 0.02 A 91 TRP HBy H 1 3.32 0.02 A 91 TRP HBx H 1 3.20 0.02 A 91 TRP HD1 H 1 7.20 0.02 A 91 TRP HE1 H 1 10.11 0.02 A 91 TRP HZ2 H 1 7.40 0.02 A 91 TRP C C 13 176.02 0.05 A 91 TRP CA C 13 57.21 0.05 A 91 TRP CB C 13 29.62 0.05 A 91 TRP N N 15 120.86 0.05 A 92 SER H H 1 7.91 0.02 A 92 SER CA C 13 58.10 0.05 A 92 SER N N 15 116.54 0.05 A 94 ASP HA H 1 4.3 0.02 A 94 ASP C C 13 176.25 0.05 A 94 ASP CA C 13 54.73 0.05 A 94 ASP CB C 13 41.39 0.05 A 95 CYS H H 1 8.30 0.02 A 95 CYS C C 13 176.34 0.05 A 95 CYS CA C 13 56.05 0.05 A 95 CYS CB C 13 30.26 0.05 A 95 CYS N N 15 118.53 0.05 A 96 ASP H H 1 8.30 0.02 A 96 ASP HA H 1 4.2 0.02 A 96 ASP HBy H 1 2.98 0.02 A 96 ASP C C 13 174.39 0.05 A 96 ASP CA C 13 56.74 0.05 A 96 ASP CB C 13 41.36 0.05 A 96 ASP N N 15 121.14 0.05 A 97 GLU H H 1 8.30 0.02 A 97 GLU HA H 1 4.6 0.02 A 97 GLU C C 13 176.16 0.05 A 97 GLU CA C 13 54.67 0.05 A 97 GLU CB C 13 35.84 0.05 A 97 GLU N N 15 121.19 0.05 A 98 GLU H H 1 8.24 0.02 A 98 GLU HBy H 1 1.95 0.02 A 98 GLU C C 13 176.12 0.05 A 98 GLU CA C 13 56.74 0.05 A 98 GLU CB C 13 30.30 0.05 A 98 GLU N N 15 120.88 0.05 A 99 PHE H H 1 8.11 0.02 A 99 PHE HA H 1 4.43 0.02 A 99 PHE HBy H 1 2.95 0.02 A 99 PHE HBx H 1 2.85 0.02 A 99 PHE HD1 H 1 7.03 0.02 A 99 PHE HD2 H 1 7.03 0.02 A 99 PHE HE1 H 1 6.74 0.02 A 99 PHE HE2 H 1 6.74 0.02 A 99 PHE C C 13 175.01 0.05 A 99 PHE CA C 13 57.97 0.05 A 99 PHE CB C 13 39.84 0.05 A 99 PHE N N 15 121.26 0.05 A 100 ASP H H 1 8.07 0.02 A 100 ASP HA H 1 4.54 0.02 A 100 ASP HBy H 1 2.58 0.02 A 100 ASP HBx H 1 2.47 0.02 A 100 ASP C C 13 176.01 0.05 A 100 ASP CA C 13 53.73 0.05 A 100 ASP CB C 13 41.06 0.05 A 100 ASP N N 15 122.78 0.05 A 101 PHE H H 1 8.08 0.02 A 101 PHE HA H 1 4.33 0.02 A 101 PHE HB2 H 1 3.07 0.02 A 101 PHE HB3 H 1 3.07 0.02 A 101 PHE HD1 H 1 7.20 0.02 A 101 PHE HD2 H 1 7.20 0.02 A 101 PHE C C 13 176.22 0.05 A 101 PHE CA C 13 59.19 0.05 A 101 PHE CB C 13 39.21 0.05 A 101 PHE N N 15 122.11 0.05 A 102 ALA H H 1 8.10 0.02 A 102 ALA HA H 1 4.14 0.02 A 102 ALA HB% H 1 1.33 0.02 A 102 ALA C C 13 178.10 0.05 A 102 ALA CA C 13 53.33 0.05 A 102 ALA CB C 13 18.71 0.05 A 102 ALA N N 15 123.06 0.05 A 103 ALA H H 1 7.82 0.02 A 103 ALA HA H 1 4.16 0.02 A 103 ALA HB% H 1 1.31 0.02 A 103 ALA C C 13 178.11 0.05 A 103 ALA CA C 13 53.19 0.05 A 103 ALA CB C 13 18.91 0.05 A 103 ALA N N 15 121.34 0.05 A 104 ASN H H 1 8.02 0.02 A 104 ASN HA H 1 4.60 0.02 A 104 ASN HBy H 1 2.84 0.02 A 104 ASN HBx H 1 2.71 0.02 A 104 ASN C C 13 175.46 0.05 A 104 ASN CA C 13 53.79 0.05 A 104 ASN CB C 13 38.98 0.05 A 104 ASN N N 15 116.36 0.05 A 105 LEU H H 1 7.91 0.02 A 105 LEU HA H 1 4.21 0.02 A 105 LEU HB2 H 1 1.55 0.02 A 105 LEU HB3 H 1 1.55 0.02 A 105 LEU HDx% H 1 0.79 0.02 A 105 LEU HDy% H 1 0.86 0.02 A 105 LEU HG H 1 1.59 0.02 A 105 LEU C C 13 177.69 0.05 A 105 LEU CA C 13 55.97 0.05 A 105 LEU CB C 13 42.09 0.05 A 105 LEU CDx C 13 23.52 0.05 A 105 LEU CDy C 13 25.14 0.05 A 105 LEU CG C 13 27.03 0.05 A 105 LEU N N 15 121.37 0.05 A 106 GLU H H 1 8.15 0.02 A 106 GLU HA H 1 4.17 0.02 A 106 GLU HBy H 1 1.98 0.02 A 106 GLU HBx H 1 1.89 0.02 A 106 GLU HGy H 1 2.2 0.02 A 106 GLU C C 13 176.61 0.05 A 106 GLU CA C 13 57.19 0.05 A 106 GLU CB C 13 29.81 0.05 A 106 GLU CG C 13 36.28 0.05 A 106 GLU N N 15 119.94 0.05 A 107 LYS H H 1 7.91 0.02 A 107 LYS HA H 1 4.16 0.02 A 107 LYS HB2 H 1 1.64 0.02 A 107 LYS HB3 H 1 1.64 0.02 A 107 LYS HDy H 1 1.65 0.02 A 107 LYS HEy H 1 3.0 0.02 A 107 LYS HGy H 1 1.45 0.02 A 107 LYS C C 13 176.34 0.05 A 107 LYS CA C 13 56.58 0.05 A 107 LYS CB C 13 32.75 0.05 A 107 LYS CD C 13 29.35 0.05 A 107 LYS CE C 13 42.07 0.05 A 107 LYS CG C 13 24.75 0.05 A 107 LYS N N 15 120.08 0.05 A 108 PHE H H 1 7.98 0.02 A 108 PHE HA H 1 4.58 0.02 A 108 PHE HB2 H 1 3.14 0.02 A 108 PHE HB3 H 1 3.14 0.02 A 108 PHE HD1 H 1 7.19 0.02 A 108 PHE HD2 H 1 7.19 0.02 A 108 PHE C C 13 175.23 0.05 A 108 PHE CA C 13 57.80 0.05 A 108 PHE CB C 13 39.59 0.05 A 108 PHE N N 15 120.02 0.05 A 109 ASP H H 1 8.17 0.02 A 109 ASP C C 13 176.14 0.05 A 109 ASP CA C 13 54.17 0.05 A 109 ASP CB C 13 41.38 0.05 A 109 ASP N N 15 121.89 0.05 A 110 LYS H H 1 8.16 0.02 A 110 LYS HDy H 1 1.6 0.02 A 110 LYS HEy H 1 3.0 0.02 A 110 LYS HGy H 1 1.4 0.02 A 110 LYS C C 13 176.65 0.05 A 110 LYS CA C 13 56.89 0.05 A 110 LYS CB C 13 32.59 0.05 A 110 LYS CD C 13 29.30 0.05 A 110 LYS CE C 13 41.54 0.05 A 110 LYS CG C 13 24.91 0.05 A 110 LYS N N 15 121.97 0.05 A 111 LYS H H 1 8.22 0.02 A 111 LYS HA H 1 4.23 0.02 A 111 LYS HB2 H 1 1.81 0.02 A 111 LYS HB3 H 1 1.81 0.02 A 111 LYS CA C 13 57.14 0.05 A 111 LYS CB C 13 32.39 0.05 A 111 LYS N N 15 120.82 0.05 A 112 GLN C C 13 175.78 0.05 A 112 GLN CA C 13 56.00 0.05 A 112 GLN CB C 13 29.22 0.05 A 112 GLN CG C 13 33.87 0.05 A 113 VAL H H 1 7.90 0.02 A 113 VAL HA H 1 3.98 0.02 A 113 VAL HB H 1 1.92 0.02 A 113 VAL HGx% H 1 0.80 0.02 A 113 VAL HGy% H 1 0.72 0.02 A 113 VAL C C 13 175.70 0.05 A 113 VAL CA C 13 62.62 0.05 A 113 VAL CB C 13 32.77 0.05 A 113 VAL CGx C 13 20.69 0.05 A 113 VAL CGy C 13 21.10 0.05 A 113 VAL N N 15 120.36 0.05 A 114 PHE H H 1 8.15 0.02 A 114 PHE HB2 H 1 3.05 0.02 A 114 PHE HB3 H 1 3.05 0.02 A 114 PHE HD1 H 1 7.18 0.02 A 114 PHE HD2 H 1 7.18 0.02 A 114 PHE C C 13 175.48 0.05 A 114 PHE CA C 13 57.39 0.05 A 114 PHE CB C 13 39.45 0.05 A 114 PHE N N 15 122.35 0.05 A 115 ALA H H 1 8.10 0.02 A 115 ALA HA H 1 4.21 0.02 A 115 ALA HB% H 1 1.31 0.02 A 115 ALA C C 13 177.37 0.05 A 115 ALA CA C 13 52.84 0.05 A 115 ALA CB C 13 19.28 0.05 A 115 ALA N N 15 125.10 0.05 A 116 GLU H H 1 8.24 0.02 A 116 GLU HA H 1 4.16 0.02 A 116 GLU HB2 H 1 1.85 0.02 A 116 GLU HB3 H 1 1.85 0.02 A 116 GLU HGy H 1 2.2 0.02 A 116 GLU C C 13 176.05 0.05 A 116 GLU CA C 13 56.86 0.05 A 116 GLU CB C 13 30.11 0.05 A 116 GLU CG C 13 36.37 0.05 A 116 GLU N N 15 119.09 0.05 A 117 PHE H H 1 8.10 0.02 A 117 PHE HB2 H 1 3.06 0.02 A 117 PHE HB3 H 1 3.06 0.02 A 117 PHE HD1 H 1 7.20 0.02 A 117 PHE HD2 H 1 7.20 0.02 A 117 PHE C C 13 175.25 0.05 A 117 PHE CA C 13 57.43 0.05 A 117 PHE CB C 13 39.31 0.05 A 117 PHE N N 15 120.55 0.05 A 118 ARG H H 1 7.95 0.02 A 118 ARG HA H 1 4.28 0.02 A 118 ARG HB2 H 1 1.73 0.02 A 118 ARG HB3 H 1 1.73 0.02 A 118 ARG HD2 H 1 3.17 0.02 A 118 ARG HD3 H 1 3.17 0.02 A 118 ARG HG2 H 1 1.56 0.02 A 118 ARG HG3 H 1 1.56 0.02 A 118 ARG C C 13 175.60 0.05 A 118 ARG CA C 13 55.66 0.05 A 118 ARG CB C 13 31.31 0.05 A 118 ARG CD C 13 43.36 0.05 A 118 ARG CG C 13 27.02 0.05 A 118 ARG N N 15 122.86 0.05 A 119 GLU H H 1 8.38 0.02 A 119 GLU HA H 1 4.19 0.02 A 119 GLU HB2 H 1 2.02 0.02 A 119 GLU HB3 H 1 2.02 0.02 A 119 GLU HGy H 1 2.2 0.02 A 119 GLU C C 13 176.13 0.05 A 119 GLU CA C 13 56.80 0.05 A 119 GLU CB C 13 30.13 0.05 A 119 GLU CG C 13 36.37 0.05 A 119 GLU N N 15 122.37 0.05 A 120 LYS H H 1 8.22 0.02 A 120 LYS HA H 1 4.31 0.02 A 120 LYS HB2 H 1 1.81 0.02 A 120 LYS HB3 H 1 1.81 0.02 A 120 LYS HDy H 1 1.6 0.02 A 120 LYS HEy H 1 3.0 0.02 A 120 LYS HGy H 1 1.4 0.02 A 120 LYS C C 13 175.16 0.05 A 120 LYS CA C 13 56.17 0.05 A 120 LYS CB C 13 33.23 0.05 A 120 LYS CD C 13 29.08 0.05 A 120 LYS CE C 13 42.17 0.05 A 120 LYS CG C 13 24.42 0.05 A 120 LYS N N 15 121.77 0.05 A 121 ASP H H 1 7.93 0.02 A 121 ASP HA H 1 4.33 0.02 A 121 ASP HBy H 1 2.59 0.02 A 121 ASP HBx H 1 2.52 0.02 A 121 ASP CA C 13 56.02 0.05 A 121 ASP CB C 13 42.18 0.05 A 121 ASP N N 15 127.13 0.05 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 51 ASP H A 51 ASP HA 1.0 0.0 3.2 2 2 A 28 PHE H A 28 PHE HA 1.0 2.7 7.7 3 3 A 19 SER H A 19 SER HA 1.0 2.7 7.7 4 4 A 25 ILE H A 25 ILE HA 1.0 2.7 7.7 5 5 A 21 ALA H A 21 ALA HA 1.0 2.7 7.7 6 6 A 50 LYS HA A 50 LYS HG2 1.0 2.7 8.2 7 7 A 10 ASN H A 10 ASN HA 1.0 2.7 7.7 8 8 A 17 ASN H A 17 ASN HA 1.0 0.0 3.2 9 9 A 33 SER H A 33 SER HA 1.0 0.0 3.2 10 10 A 57 ILE H A 57 ILE HA 1.0 2.7 7.7 11 11 A 22 ARG H A 22 ARG HA 1.0 2.7 7.7 12 12 A 2 SER H A 2 SER HA 1.0 2.7 7.7 13 13 A 43 SER H A 43 SER HA 1.0 2.7 7.7 14 14 A 23 GLY H A 23 GLY HAx 1.0 0.0 3.2 15 15 A 50 LYS HA A 50 LYS H 1.0 0.0 3.2 16 16 A 29 ASP H A 29 ASP HA 1.0 2.7 7.7 17 17 A 13 VAL H A 13 VAL HA 1.0 2.7 7.7 18 18 A 24 VAL H A 24 VAL HA 1.0 2.7 7.7 19 19 A 44 THR H A 44 THR HA 1.0 2.7 7.7 20 20 A 55 LEU H A 55 LEU HA 1.0 2.7 7.7 21 21 A 50 LYS H A 50 LYS HD2 1.0 4.0 9.5 22 21 A 50 LYS H A 50 LYS HD3 1.0 4.0 9.5 23 22 A 12 GLU H A 12 GLU HA 1.0 2.7 7.7 24 23 A 11 VAL H A 11 VAL HA 1.0 2.7 7.7 25 24 A 56 ARG H A 56 ARG HA 1.0 2.7 7.7 26 25 A 14 LEU H A 14 LEU HA 1.0 2.7 7.7 27 26 A 5 ASP H A 5 ASP HA 1.0 0.0 3.2 28 27 A 52 ILE H A 52 ILE HA 1.0 2.7 7.7 29 28 A 39 LEU H A 39 LEU HA 1.0 2.7 7.7 30 29 A 45 LYS H A 45 LYS HA 1.0 2.7 7.7 31 30 A 3 VAL H A 3 VAL HA 1.0 0.0 3.2 32 31 A 37 LEU H A 37 LEU HA 1.0 2.7 7.7 33 32 A 22 ARG H A 22 ARG HD3 1.0 4.0 9.0 34 33 A 27 ASN H A 27 ASN HA 1.0 2.7 7.7 35 34 A 58 LEU H A 58 LEU HA 1.0 2.7 7.7 36 35 A 35 LEU H A 35 LEU HA 1.0 2.7 7.7 37 36 A 42 ASP H A 42 ASP HA 1.0 0.0 3.2 38 37 A 47 ILE H A 47 ILE HA 1.0 2.7 7.7 39 38 A 15 LEU H A 15 LEU HA 1.0 2.7 7.7 40 39 A 50 LYS HA A 50 LYS HG3 1.0 2.7 8.2 41 40 A 49 THR H A 49 THR HA 1.0 0.0 3.2 42 41 A 20 LYS H A 20 LYS HA 1.0 2.7 7.7 43 42 A 48 VAL H A 48 VAL HA 1.0 2.7 7.7 44 43 A 18 ASP H A 18 ASP HA 1.0 0.0 3.2 45 44 A 9 SER H A 9 SER HA 1.0 2.7 7.7 46 45 A 7 TYR H A 7 TYR HA 1.0 2.7 7.7 47 46 A 34 ILE H A 34 ILE HA 1.0 2.7 7.7 48 47 A 16 ASN H A 16 ASN HA 1.0 0.0 3.2 49 48 A 26 THR H A 26 THR HA 1.0 2.7 7.7 50 49 A 54 ASP H A 54 ASP HA 1.0 2.7 7.7 51 50 A 4 ALA H A 4 ALA HA 1.0 0.0 3.2 52 51 A 38 ARG H A 38 ARG HA 1.0 2.7 7.7 53 52 A 46 SER H A 46 SER HA 1.0 2.7 7.7 54 53 A 36 GLN H A 36 GLN HA 1.0 2.7 7.7 55 54 A 53 LYS H A 53 LYS HA 1.0 0.0 3.2 56 55 A 6 PHE H A 6 PHE HA 1.0 0.0 3.2 57 56 A 23 GLY H A 23 GLY HAy 1.0 0.0 3.2 58 57 A 15 LEU HA A 53 LYS HB2 1.0 3.2 8.7 59 57 A 15 LEU HA A 53 LYS HB3 1.0 3.2 8.7 60 58 A 11 VAL HA A 58 LEU H 1.0 0.0 3.5 61 59 A 10 ASN H A 24 VAL HG1% 1.0 0.0 5.8 62 60 A 58 LEU H A 10 ASN HB2 1.0 0.0 4.8 63 60 A 58 LEU H A 10 ASN HB3 1.0 0.0 4.8 64 61 A 44 THR HA A 39 LEU H 1.0 0.0 3.5 65 62 A 6 PHE HD2 A 57 ILE HD1% 1.0 0.0 4.8 66 63 A 34 ILE H A 29 ASP HBy 1.0 0.0 4.0 67 64 A 27 ASN HA A 7 TYR HE2 1.0 2.7 3.2 68 65 A 12 GLU H A 56 ARG HG3 1.0 0.0 3.2 69 66 A 24 VAL HA A 11 VAL H 1.0 0.0 3.5 70 67 A 11 VAL H A 37 LEU HD2% 1.0 0.0 5.8 71 68 A 38 ARG H A 26 THR HG2% 1.0 0.0 4.8 72 69 A 35 LEU H A 48 VAL HA 1.0 0.0 3.5 73 70 A 25 ILE HA A 37 LEU HD2% 1.0 0.0 4.8 74 71 A 45 LYS H A 37 LEU H 1.0 0.0 3.5 75 72 A 9 SER H A 25 ILE HG2% 1.0 0.0 4.8 76 73 A 49 THR H A 34 ILE HD1% 1.0 4.0 5.0 77 74 A 56 ARG H A 13 VAL HGx% 1.0 5.0 10.5 78 75 A 10 ASN H A 58 LEU HB2 1.0 5.0 10.5 79 76 A 47 ILE H A 36 GLN HA 1.0 0.0 3.5 80 77 A 34 ILE HD1% A 48 VAL HB 1.0 0.0 4.0 81 78 A 8 GLY H A 25 ILE HB 1.0 0.0 4.0 82 79 A 57 ILE HA A 12 GLU H 1.0 0.0 3.5 83 80 A 44 THR HA A 38 ARG HA 1.0 0.0 2.7 84 81 A 35 LEU H A 49 THR H 1.0 0.0 3.5 85 82 A 36 GLN H A 27 ASN HB2 1.0 0.0 4.0 86 83 A 23 GLY H A 37 LEU HD2% 1.0 0.0 5.8 87 84 A 45 LYS H A 38 ARG HA 1.0 0.0 3.5 88 85 A 24 VAL H A 39 LEU HDx% 1.0 4.0 9.0 89 86 A 23 GLY H A 11 VAL HG2% 1.0 0.0 5.8 90 87 A 13 VAL H A 21 ALA HB% 1.0 0.0 5.8 91 88 A 27 ASN H A 36 GLN H 1.0 0.0 3.5 92 89 A 46 SER HA A 34 ILE HG2% 1.0 0.0 5.8 93 90 A 24 VAL HG2% A 10 ASN HB2 1.0 0.0 5.5 94 90 A 10 ASN HB3 A 24 VAL HG2% 1.0 0.0 5.5 95 91 A 12 GLU H A 57 ILE HD1% 1.0 5.0 10.5 96 92 A 28 PHE H A 7 TYR HE2 1.0 3.2 7.2 97 93 A 11 VAL H A 58 LEU HB3 1.0 5.0 10.5 98 94 A 45 LYS H A 37 LEU HB2 1.0 0.0 5.8 99 94 A 45 LYS H A 37 LEU HB3 1.0 0.0 5.8 100 95 A 11 VAL H A 58 LEU HB2 1.0 5.0 10.5 101 96 A 22 ARG HA A 37 LEU HD1% 1.0 0.0 4.8 102 97 A 45 LYS H A 36 GLN HGy 1.0 0.0 5.8 103 97 A 45 LYS H A 36 GLN HGx 1.0 0.0 5.8 104 98 A 25 ILE HA A 38 ARG H 1.0 0.0 3.5 105 99 A 27 ASN H A 36 GLN HB2 1.0 0.0 2.7 106 100 A 38 ARG H A 26 THR HB 1.0 0.0 5.0 107 101 A 26 THR H A 38 ARG H 1.0 0.0 5.0 108 102 A 15 LEU HA A 54 ASP H 1.0 0.0 4.0 109 103 A 25 ILE HA A 37 LEU HA 1.0 0.0 2.7 110 104 A 24 VAL HG1% A 8 GLY H 1.0 0.0 4.8 111 105 A 13 VAL HA A 55 LEU HA 1.0 0.0 2.7 112 106 A 10 ASN HA A 24 VAL HA 1.0 0.0 2.7 113 107 A 22 ARG HA A 13 VAL H 1.0 0.0 3.5 114 108 A 10 ASN HA A 24 VAL HG1% 1.0 0.0 4.8 115 109 A 55 LEU HA A 14 LEU H 1.0 0.0 3.5 116 110 A 25 ILE H A 11 VAL H 1.0 0.0 5.0 117 111 A 10 ASN H A 57 ILE HG2% 1.0 0.0 5.8 118 112 A 25 ILE H A 9 SER H 1.0 0.0 3.5 119 113 A 49 THR H A 34 ILE HA 1.0 0.0 3.2 120 114 A 38 ARG H A 24 VAL HB 1.0 0.0 4.0 121 115 A 12 GLU H A 56 ARG HDx 1.0 0.0 5.0 122 116 A 14 LEU H A 52 ILE HG2% 1.0 0.0 5.8 123 117 A 25 ILE HG2% A 8 GLY H 1.0 0.0 5.8 124 118 A 11 VAL HA A 58 LEU HDy% 1.0 0.0 5.8 125 119 A 14 LEU HA A 20 LYS HA 1.0 0.0 2.7 126 120 A 36 GLN HB2 A 26 THR HB 1.0 0.0 5.0 127 121 A 24 VAL H A 40 ALA H 1.0 0.0 5.0 128 122 A 13 VAL HA A 56 ARG H 1.0 0.0 3.5 129 123 A 21 ALA H A 12 GLU HGy 1.0 0.0 4.0 130 124 A 20 LYS H A 14 LEU HD1% 1.0 0.0 5.8 131 125 A 24 VAL H A 37 LEU HA 1.0 0.0 5.0 132 126 A 35 LEU HA A 28 PHE HD1 1.0 0.0 3.2 133 127 A 37 LEU H A 46 SER HA 1.0 0.0 3.5 134 128 A 12 GLU H A 58 LEU H 1.0 0.0 4.0 135 129 A 52 ILE HA A 15 LEU HA 1.0 0.0 3.5 136 130 A 11 VAL HA A 58 LEU HG 1.0 3.2 8.7 137 131 A 24 VAL H A 39 LEU HDy% 1.0 4.0 9.0 138 132 A 46 SER HA A 36 GLN HA 1.0 0.0 2.7 139 133 A 16 ASN H A 53 LYS HB3 1.0 3.2 8.7 140 134 A 46 SER HA A 36 GLN HGx 1.0 2.7 8.2 141 135 A 53 LYS H A 13 VAL HGx% 1.0 0.0 5.8 142 136 A 24 VAL HG2% A 10 ASN HD22 1.0 0.0 4.0 143 137 A 22 ARG HA A 12 GLU HA 1.0 0.0 2.7 144 138 A 27 ASN H A 35 LEU HA 1.0 0.0 4.0 145 139 A 21 ALA H A 14 LEU HA 1.0 0.0 3.5 146 140 A 39 LEU HA A 23 GLY HAy 1.0 0.0 3.2 147 141 A 14 LEU HD2% A 54 ASP HBx 1.0 0.0 5.8 148 142 A 37 LEU HA A 26 THR H 1.0 0.0 3.5 149 143 A 26 THR HA A 8 GLY H 1.0 3.2 8.2 150 144 A 21 ALA H A 13 VAL H 1.0 0.0 3.5 151 145 A 24 VAL H A 38 ARG H 1.0 0.0 4.0 152 146 A 25 ILE H A 10 ASN HA 1.0 0.0 3.5 153 147 A 14 LEU HB2 A 54 ASP HBy 1.0 0.0 2.7 154 148 A 12 GLU H A 58 LEU HDy% 1.0 0.0 4.8 155 149 A 29 ASP H A 34 ILE H 1.0 2.4 3.5 156 150 A 57 ILE HA A 11 VAL HA 1.0 0.0 2.7 157 151 A 14 LEU H A 54 ASP H 1.0 0.0 3.5 158 152 A 24 VAL H A 37 LEU HD2% 1.0 0.0 5.8 159 153 A 23 GLY H A 11 VAL H 1.0 0.0 3.2 160 154 A 24 VAL HG2% A 10 ASN HD21 1.0 0.0 4.0 161 155 A 35 LEU H A 47 ILE H 1.0 0.0 3.5 162 156 A 10 ASN HA A 23 GLY H 1.0 0.0 4.0 163 157 A 12 GLU H A 56 ARG HDy 1.0 0.0 5.0 164 158 A 23 GLY HAy A 39 LEU HDx% 1.0 0.0 4.8 165 159 A 28 PHE H A 7 TYR HD2 1.0 3.2 8.2 166 160 A 26 THR H A 37 LEU HD2% 1.0 0.0 5.8 167 161 A 23 GLY HAx A 39 LEU HA 1.0 0.0 4.0 168 162 A 20 LYS HA A 14 LEU HD1% 1.0 0.0 4.8 169 163 A 44 THR HA A 38 ARG HGy 1.0 0.0 4.0 170 163 A 44 THR HA A 38 ARG HGx 1.0 0.0 4.0 171 164 A 56 ARG H A 13 VAL HGy% 1.0 5.0 10.5 172 165 A 9 SER H A 25 ILE HD1% 1.0 0.0 5.8 173 166 A 23 GLY H A 12 GLU HA 1.0 0.0 3.5 174 167 A 12 GLU H A 57 ILE HG2% 1.0 0.0 5.8 175 168 A 14 LEU HD2% A 20 LYS HE2 1.0 0.0 6.5 176 168 A 14 LEU HD2% A 20 LYS HE3 1.0 0.0 6.5 177 169 A 15 LEU H A 20 LYS HA 1.0 0.0 3.5 178 170 A 16 ASN H A 53 LYS HB2 1.0 3.2 8.7 179 171 A 12 GLU H A 56 ARG HG2 1.0 0.0 3.2 180 172 A 10 ASN HA A 24 VAL HG2% 1.0 0.0 4.0 181 173 A 26 THR H A 36 GLN HB2 1.0 0.0 4.0 182 174 A 28 PHE HA A 35 LEU HA 1.0 0.0 3.5 183 175 A 21 ALA H A 14 LEU HD2% 1.0 0.0 4.0 184 176 A 25 ILE H A 8 GLY H 1.0 0.0 5.0 185 177 A 28 PHE HA A 34 ILE H 1.0 0.0 4.0 186 178 A 24 VAL HG1% A 8 GLY HA3 1.0 0.0 4.0 187 179 A 24 VAL H A 39 LEU HA 1.0 0.0 4.0 188 180 A 9 SER H A 25 ILE HB 1.0 0.0 3.2 189 181 A 16 ASN H A 53 LYS H 1.0 0.0 3.5 190 182 A 23 GLY HAx A 39 LEU HDy% 1.0 0.0 4.8 191 183 A 10 ASN H A 58 LEU HB3 1.0 5.0 10.5 192 184 A 37 LEU HA A 26 THR HG2% 1.0 0.0 4.0 193 185 A 14 LEU HD2% A 54 ASP HBy 1.0 0.0 4.8 194 186 A 25 ILE HG2% A 7 TYR HE1 1.0 0.0 4.8 195 187 A 24 VAL H A 38 ARG HBy 1.0 0.0 4.8 196 187 A 24 VAL H A 38 ARG HBx 1.0 0.0 4.8 197 188 A 28 PHE HD1 A 49 THR HG2% 1.0 0.0 4.8 198 189 A 24 VAL HG1% A 8 GLY HA2 1.0 0.0 3.5 199 190 A 29 ASP H A 34 ILE HB 1.0 0.0 4.0 200 191 A 48 VAL HA A 34 ILE HD1% 1.0 0.0 4.0 201 192 A 35 LEU HD2% A 49 THR HB 1.0 0.0 5.8 202 193 A 15 LEU HA A 53 LYS H 1.0 0.0 2.7 203 194 A 25 ILE HG2% A 7 TYR HD1 1.0 0.0 3.5 204 195 A 22 ARG H A 39 LEU HDx% 1.0 0.0 4.8 205 196 A 23 GLY H A 37 LEU HD1% 1.0 0.0 5.8 206 197 A 47 ILE H A 35 LEU HD2% 1.0 0.0 5.8 207 198 A 3 VAL HA A 6 PHE HD1 1.0 0.0 2.7 208 199 A 7 TYR H A 3 VAL HGx% 1.0 0.0 4.8 209 200 A 15 LEU H A 19 SER HBy 1.0 4.0 9.0 210 201 A 3 VAL HA A 6 PHE H 1.0 0.0 3.5 211 202 A 39 LEU H A 43 SER HB3 1.0 4.0 9.5 212 203 A 29 ASP HA A 32 ASN H 1.0 0.0 5.0 213 204 A 54 ASP H A 52 ILE HG2% 1.0 0.0 4.0 214 205 A 52 ILE H A 49 THR HA 1.0 0.0 3.5 215 206 A 43 SER H A 39 LEU HG 1.0 0.0 5.0 216 207 A 39 LEU H A 43 SER HB2 1.0 4.0 9.5 217 208 A 7 TYR HD2 A 4 ALA HB% 1.0 0.0 4.8 218 209 A 7 TYR H A 4 ALA HA 1.0 0.0 3.5 219 210 A 19 SER H A 17 ASN HD2y 1.0 4.0 9.0 220 211 A 33 SER H A 29 ASP HBx 1.0 0.0 4.0 221 212 A 52 ILE HA A 54 ASP H 1.0 0.0 3.5 222 213 A 50 LYS H A 48 VAL HB 1.0 0.0 5.0 223 214 A 19 SER H A 15 LEU H 1.0 0.0 3.5 224 215 A 43 SER H A 39 LEU H 1.0 0.0 4.0 225 216 A 33 SER HA A 29 ASP H 1.0 0.0 3.5 226 217 A 49 THR HA A 52 ILE HD1% 1.0 0.0 4.0 227 218 A 51 ASP H A 48 VAL HB 1.0 0.0 5.0 228 219 A 27 ASN H A 25 ILE HG2% 1.0 0.0 4.8 229 220 A 50 LYS HA A 52 ILE H 1.0 0.0 3.5 230 221 A 4 ALA H A 2 SER HBx 1.0 0.0 4.7 231 221 A 4 ALA H A 2 SER HBy 1.0 0.0 4.7 232 222 A 43 SER H A 39 LEU HBy 1.0 0.0 4.8 233 222 A 43 SER H A 39 LEU HBx 1.0 0.0 4.8 234 223 A 50 LYS H A 48 VAL HG2% 1.0 0.0 5.8 235 224 A 15 LEU H A 19 SER HBx 1.0 4.0 9.0 236 225 A 18 ASP H A 14 LEU HD1% 1.0 0.0 5.8 237 226 A 25 ILE H A 24 VAL H 1.0 3.2 8.2 238 227 A 57 ILE HA A 58 LEU H 1.0 0.0 2.7 239 228 A 35 LEU H A 36 GLN H 1.0 3.2 8.2 240 229 A 15 LEU HA A 16 ASN HB3 1.0 0.0 5.0 241 230 A 51 ASP H A 52 ILE H 1.0 0.0 2.7 242 231 A 44 THR H A 45 LYS H 1.0 3.2 8.2 243 232 A 7 TYR H A 6 PHE HA 1.0 3.2 8.2 244 233 A 12 GLU H A 11 VAL HA 1.0 0.0 2.7 245 234 A 5 ASP HA A 6 PHE H 1.0 3.2 8.2 246 235 A 37 LEU H A 38 ARG H 1.0 3.2 8.2 247 236 A 37 LEU HA A 38 ARG H 1.0 0.0 2.7 248 237 A 10 ASN HA A 11 VAL H 1.0 0.0 2.7 249 238 A 55 LEU HA A 56 ARG H 1.0 0.0 2.7 250 239 A 35 LEU H A 34 ILE H 1.0 3.2 8.2 251 240 A 52 ILE H A 53 LYS H 1.0 3.2 8.2 252 241 A 43 SER H A 44 THR H 1.0 3.2 8.2 253 242 A 13 VAL H A 12 GLU H 1.0 3.2 8.2 254 243 A 5 ASP H A 6 PHE H 1.0 0.0 2.7 255 244 A 15 LEU HA A 16 ASN H 1.0 0.0 2.7 256 245 A 9 SER H A 8 GLY H 1.0 0.0 2.7 257 246 A 10 ASN H A 9 SER H 1.0 3.2 8.2 258 247 A 17 ASN H A 18 ASP H 1.0 0.0 2.7 259 248 A 21 ALA H A 20 LYS HA 1.0 0.0 2.7 260 249 A 49 THR H A 48 VAL H 1.0 3.2 8.2 261 250 A 33 SER HA A 34 ILE H 1.0 0.0 2.7 262 251 A 51 ASP HA A 52 ILE H 1.0 3.2 8.2 263 252 A 47 ILE H A 46 SER H 1.0 3.2 8.2 264 253 A 47 ILE HA A 48 VAL H 1.0 0.0 2.7 265 254 A 10 ASN H A 9 SER HA 1.0 0.0 2.7 266 255 A 14 LEU HA A 15 LEU H 1.0 0.0 2.7 267 256 A 51 ASP H A 50 LYS H 1.0 0.0 2.7 268 257 A 10 ASN H A 11 VAL H 1.0 3.2 8.2 269 258 A 22 ARG H A 23 GLY H 1.0 3.2 8.2 270 259 A 39 LEU H A 38 ARG HA 1.0 0.0 2.7 271 260 A 14 LEU H A 15 LEU H 1.0 3.2 8.2 272 261 A 13 VAL HA A 14 LEU H 1.0 0.0 2.7 273 262 A 19 SER H A 18 ASP H 1.0 0.0 2.7 274 263 A 27 ASN H A 26 THR H 1.0 0.0 2.7 275 264 A 47 ILE H A 48 VAL H 1.0 3.2 8.2 276 265 A 23 GLY H A 24 VAL H 1.0 3.2 8.2 277 266 A 55 LEU H A 54 ASP H 1.0 3.2 8.2 278 267 A 43 SER H A 42 ASP H 1.0 0.0 2.7 279 268 A 54 ASP H A 53 LYS HA 1.0 3.2 8.2 280 269 A 2 SER H A 1 MET HA 1.0 0.0 2.7 281 270 A 39 LEU H A 38 ARG H 1.0 3.2 8.2 282 271 A 21 ALA H A 20 LYS H 1.0 3.2 8.2 283 272 A 3 VAL H A 4 ALA H 1.0 0.0 2.7 284 273 A 19 SER H A 18 ASP HA 1.0 3.2 8.2 285 274 A 19 SER HA A 20 LYS H 1.0 0.0 2.7 286 275 A 28 PHE H A 27 ASN H 1.0 3.2 8.2 287 276 A 22 ARG HA A 23 GLY H 1.0 0.0 2.7 288 277 A 17 ASN HA A 18 ASP H 1.0 3.2 8.2 289 278 A 52 ILE HA A 53 LYS H 1.0 0.0 2.7 290 279 A 27 ASN H A 26 THR HA 1.0 3.2 8.2 291 280 A 46 SER H A 45 LYS HGy 1.0 0.0 4.0 292 281 A 13 VAL H A 12 GLU HA 1.0 0.0 2.7 293 282 A 35 LEU HA A 36 GLN H 1.0 0.0 2.7 294 283 A 21 ALA H A 22 ARG H 1.0 3.2 8.2 295 284 A 54 ASP H A 53 LYS H 1.0 0.0 2.7 296 285 A 43 SER HA A 44 THR H 1.0 0.0 2.7 297 286 A 15 LEU HA A 16 ASN HD21 1.0 0.0 5.0 298 287 A 7 TYR H A 6 PHE H 1.0 0.0 2.7 299 288 A 47 ILE H A 46 SER HA 1.0 0.0 2.7 300 289 A 46 SER H A 45 LYS HGx 1.0 0.0 5.0 301 290 A 51 ASP H A 50 LYS HA 1.0 3.2 8.2 302 291 A 12 GLU H A 11 VAL H 1.0 3.2 8.2 303 292 A 21 ALA HA A 22 ARG H 1.0 0.0 2.7 304 293 A 57 ILE H A 58 LEU H 1.0 3.2 8.2 305 294 A 55 LEU H A 54 ASP HA 1.0 0.0 2.7 306 295 A 58 LEU H A 57 ILE HD1% 1.0 5.0 10.5 307 296 A 45 LYS H A 46 SER H 1.0 3.2 8.2 308 297 A 45 LYS HA A 46 SER H 1.0 0.0 2.7 309 298 A 50 LYS H A 49 THR H 1.0 0.0 2.7 310 299 A 55 LEU H A 56 ARG H 1.0 3.2 8.2 311 300 A 28 PHE H A 29 ASP H 1.0 3.2 8.2 312 301 A 17 ASN H A 16 ASN H 1.0 0.0 2.7 313 302 A 13 VAL H A 14 LEU H 1.0 3.2 8.2 314 303 A 19 SER H A 20 LYS H 1.0 3.2 8.2 315 304 A 15 LEU H A 16 ASN H 1.0 3.2 8.2 316 305 A 49 THR H A 48 VAL HA 1.0 0.0 2.7 317 306 A 37 LEU H A 36 GLN HA 1.0 0.0 2.7 318 307 A 25 ILE H A 24 VAL HA 1.0 0.0 2.7 319 308 A 37 LEU H A 36 GLN H 1.0 3.2 8.2 320 309 A 3 VAL HA A 4 ALA H 1.0 3.2 8.2 321 310 A 43 SER H A 42 ASP HA 1.0 3.2 8.2 322 311 A 17 ASN H A 16 ASN HA 1.0 3.2 8.2 323 312 A 5 ASP H A 4 ALA H 1.0 0.0 2.7 324 313 A 57 ILE H A 56 ARG H 1.0 3.2 8.2 325 314 A 5 ASP H A 4 ALA HA 1.0 3.2 8.2 326 315 A 7 TYR HA A 8 GLY H 1.0 0.0 2.7 327 316 A 39 LEU H A 40 ALA H 1.0 3.2 8.2 328 317 A 42 ASP H A 41 ASN HA 1.0 3.2 8.2 329 318 A 50 LYS H A 49 THR HA 1.0 3.2 8.2 330 319 A 25 ILE HA A 26 THR H 1.0 0.0 2.7 331 320 A 28 PHE H A 27 ASN HA 1.0 0.0 2.7 332 321 A 35 LEU H A 34 ILE HA 1.0 0.0 2.7 333 322 A 7 TYR H A 8 GLY H 1.0 3.2 8.2 334 323 A 2 SER HA A 3 VAL H 1.0 0.0 2.7 335 324 A 8 GLY H A 7 TYR HB2 1.0 3.2 8.2 336 324 A 8 GLY H A 7 TYR HB3 1.0 3.2 8.2 337 325 A 57 ILE H A 56 ARG HA 1.0 0.0 2.7 338 326 A 44 THR HA A 45 LYS H 1.0 0.0 2.7 339 327 A 28 PHE HA A 29 ASP H 1.0 0.0 2.7 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 25 ILE H A 9 SER O 1.0 1.9 2.6 2 2 A 58 LEU H A 10 ASN O 1.0 1.9 2.6 3 3 A 11 VAL H A 23 GLY O 1.0 1.9 2.6 4 4 A 23 GLY H A 11 VAL O 1.0 1.9 2.6 5 5 A 12 GLU H A 56 ARG O 1.0 1.9 2.6 6 6 A 56 ARG H A 12 GLU O 1.0 1.9 2.6 7 7 A 13 VAL H A 21 ALA O 1.0 1.9 2.6 8 8 A 21 ALA H A 13 VAL O 1.0 1.9 2.6 9 9 A 14 LEU H A 54 ASP O 1.0 1.9 2.6 10 10 A 54 ASP H A 14 LEU O 1.0 1.9 2.6 11 11 A 53 LYS H A 14 LEU O 1.0 1.9 2.6 12 12 A 15 LEU H A 19 SER O 1.0 1.9 2.6 13 13 A 18 ASP H A 15 LEU O 1.0 1.9 2.6 14 14 A 43 SER H A 39 LEU O 1.0 1.9 2.6 15 15 A 39 LEU H A 43 SER O 1.0 1.9 2.6 16 16 A 45 LYS H A 37 LEU O 1.0 1.9 2.6 17 17 A 37 LEU H A 45 LYS O 1.0 1.9 2.6 18 18 A 26 THR H A 36 GLN O 1.0 1.9 2.6 19 19 A 36 GLN H A 27 ASN O 1.0 1.9 2.6 20 20 A 47 ILE H A 35 LEU O 1.0 1.9 2.6 21 21 A 35 LEU H A 47 ILE O 1.0 1.9 2.6 22 22 A 29 ASP H A 34 ILE O 1.0 1.9 2.6 23 23 A 27 ASN H A 36 GLN O 1.0 1.9 2.6 24 24 A 34 ILE H A 29 ASP O 1.0 1.9 2.6 25 25 A 33 SER H A 29 ASP O 1.0 1.9 2.6 26 26 A 42 ASP H A 39 LEU O 1.0 1.9 2.6 27 27 A 16 ASN H A 51 ASP O 1.0 1.9 2.6 28 28 A 9 SER H A 6 PHE O 1.0 1.9 2.6 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 SER N A 2 SER CA A 2 SER C 1.0 -130.0 -50.0 PHI 2 2 A 2 SER N A 2 SER CA A 2 SER C A 3 VAL N 1.0 109.0 161.0 PSI 3 3 A 2 SER C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -68.0 -48.0 PHI 4 4 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 ALA N 1.0 -48.0 -16.0 PSI 5 5 A 3 VAL C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -80.0 -54.0 PHI 6 6 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 ASP N 1.0 -46.0 -12.0 PSI 7 7 A 4 ALA C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 -93.0 -53.0 PHI 8 8 A 5 ASP N A 5 ASP CA A 5 ASP C A 6 PHE N 1.0 -54.0 2.0 PSI 9 9 A 5 ASP C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 -98.0 -58.0 PHI 10 10 A 6 PHE N A 6 PHE CA A 6 PHE C A 7 TYR N 1.0 -53.0 -11.0 PSI 11 11 A 6 PHE C A 7 TYR N A 7 TYR CA A 7 TYR C 1.0 -140.0 -52.0 PHI 12 12 A 7 TYR N A 7 TYR CA A 7 TYR C A 8 GLY N 1.0 99.0 157.0 PSI 13 13 A 7 TYR C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 79.0 105.0 PHI 14 14 A 8 GLY N A 8 GLY CA A 8 GLY C A 9 SER N 1.0 -26.0 6.0 PSI 15 15 A 8 GLY C A 9 SER N A 9 SER CA A 9 SER C 1.0 -87.0 -59.0 PHI 16 16 A 9 SER N A 9 SER CA A 9 SER C A 10 ASN N 1.0 108.0 174.0 PSI 17 17 A 9 SER C A 10 ASN N A 10 ASN CA A 10 ASN C 1.0 -121.0 -75.0 PHI 18 18 A 10 ASN N A 10 ASN CA A 10 ASN C A 11 VAL N 1.0 115.0 149.0 PSI 19 19 A 10 ASN C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -148.0 -122.0 PHI 20 20 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 GLU N 1.0 152.0 172.0 PSI 21 21 A 11 VAL C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -157.0 -119.0 PHI 22 22 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 VAL N 1.0 116.0 146.0 PSI 23 23 A 12 GLU C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -137.0 -91.0 PHI 24 24 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 LEU N 1.0 117.0 147.0 PSI 25 25 A 13 VAL C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -120.0 -88.0 PHI 26 26 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 LEU N 1.0 108.0 136.0 PSI 27 27 A 14 LEU C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -104.0 -58.0 PHI 28 28 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 ASN N 1.0 118.0 182.0 PSI 29 29 A 15 LEU C A 16 ASN N A 16 ASN CA A 16 ASN C 1.0 -74.0 -46.0 PHI 30 30 A 16 ASN N A 16 ASN CA A 16 ASN C A 17 ASN N 1.0 -43.0 -15.0 PSI 31 31 A 16 ASN C A 17 ASN N A 17 ASN CA A 17 ASN C 1.0 -117.0 -79.0 PHI 32 32 A 17 ASN N A 17 ASN CA A 17 ASN C A 18 ASP N 1.0 -15.0 35.0 PSI 33 33 A 17 ASN C A 18 ASP N A 18 ASP CA A 18 ASP C 1.0 53.0 77.0 PHI 34 34 A 18 ASP N A 18 ASP CA A 18 ASP C A 19 SER N 1.0 0.0 36.0 PSI 35 35 A 18 ASP C A 19 SER N A 19 SER CA A 19 SER C 1.0 -109.0 -59.0 PHI 36 36 A 19 SER N A 19 SER CA A 19 SER C A 20 LYS N 1.0 133.0 159.0 PSI 37 37 A 19 SER C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -142.0 -110.0 PHI 38 38 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 ALA N 1.0 136.0 172.0 PSI 39 39 A 20 LYS C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -142.0 -112.0 PHI 40 40 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 ARG N 1.0 111.0 153.0 PSI 41 41 A 21 ALA C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -145.0 -117.0 PHI 42 42 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 GLY N 1.0 121.0 165.0 PSI 43 43 A 22 ARG C A 23 GLY N A 23 GLY CA A 23 GLY C 1.0 -181.0 -109.0 PHI 44 44 A 23 GLY N A 23 GLY CA A 23 GLY C A 24 VAL N 1.0 122.0 188.0 PSI 45 45 A 23 GLY C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -143.0 -87.0 PHI 46 46 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 ILE N 1.0 116.0 156.0 PSI 47 47 A 24 VAL C A 25 ILE N A 25 ILE CA A 25 ILE C 1.0 -102.0 -62.0 PHI 48 48 A 25 ILE N A 25 ILE CA A 25 ILE C A 26 THR N 1.0 113.0 153.0 PSI 49 49 A 25 ILE C A 26 THR N A 26 THR CA A 26 THR C 1.0 -125.0 -79.0 PHI 50 50 A 26 THR N A 26 THR CA A 26 THR C A 27 ASN N 1.0 -36.0 2.0 PSI 51 51 A 26 THR C A 27 ASN N A 27 ASN CA A 27 ASN C 1.0 -172.0 -118.0 PHI 52 52 A 27 ASN N A 27 ASN CA A 27 ASN C A 28 PHE N 1.0 130.0 168.0 PSI 53 53 A 27 ASN C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -149.0 -101.0 PHI 54 54 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 ASP N 1.0 113.0 143.0 PSI 55 55 A 28 PHE C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 -122.0 -90.0 PHI 56 56 A 29 ASP N A 29 ASP CA A 29 ASP C A 30 SER N 1.0 94.0 130.0 PSI 57 57 A 31 SER C A 32 ASN N A 32 ASN CA A 32 ASN C 1.0 -124.0 -84.0 PHI 58 58 A 32 ASN N A 32 ASN CA A 32 ASN C A 33 SER N 1.0 -14.0 18.0 PSI 59 59 A 32 ASN C A 33 SER N A 33 SER CA A 33 SER C 1.0 46.0 66.0 PHI 60 60 A 33 SER N A 33 SER CA A 33 SER C A 34 ILE N 1.0 35.0 67.0 PSI 61 61 A 33 SER C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -152.0 -108.0 PHI 62 62 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 LEU N 1.0 122.0 168.0 PSI 63 63 A 34 ILE C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -143.0 -109.0 PHI 64 64 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 GLN N 1.0 120.0 144.0 PSI 65 65 A 35 LEU C A 36 GLN N A 36 GLN CA A 36 GLN C 1.0 -137.0 -97.0 PHI 66 66 A 36 GLN N A 36 GLN CA A 36 GLN C A 37 LEU N 1.0 115.0 161.0 PSI 67 67 A 36 GLN C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -151.0 -111.0 PHI 68 68 A 37 LEU N A 37 LEU CA A 37 LEU C A 38 ARG N 1.0 120.0 160.0 PSI 69 69 A 37 LEU C A 38 ARG N A 38 ARG CA A 38 ARG C 1.0 -116.0 -78.0 PHI 70 70 A 38 ARG N A 38 ARG CA A 38 ARG C A 39 LEU N 1.0 108.0 140.0 PSI 71 71 A 38 ARG C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -102.0 -60.0 PHI 72 72 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 ALA N 1.0 103.0 173.0 PSI 73 73 A 40 ALA C A 41 ASN N A 41 ASN CA A 41 ASN C 1.0 -123.0 -79.0 PHI 74 74 A 41 ASN N A 41 ASN CA A 41 ASN C A 42 ASP N 1.0 3.0 31.0 PSI 75 75 A 41 ASN C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 53.0 81.0 PHI 76 76 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 SER N 1.0 -2.0 32.0 PSI 77 77 A 42 ASP C A 43 SER N A 43 SER CA A 43 SER C 1.0 -132.0 -44.0 PHI 78 78 A 43 SER N A 43 SER CA A 43 SER C A 44 THR N 1.0 135.0 167.0 PSI 79 79 A 43 SER C A 44 THR N A 44 THR CA A 44 THR C 1.0 -138.0 -96.0 PHI 80 80 A 44 THR N A 44 THR CA A 44 THR C A 45 LYS N 1.0 113.0 149.0 PSI 81 81 A 44 THR C A 45 LYS N A 45 LYS CA A 45 LYS C 1.0 -144.0 -104.0 PHI 82 82 A 45 LYS N A 45 LYS CA A 45 LYS C A 46 SER N 1.0 116.0 142.0 PSI 83 83 A 45 LYS C A 46 SER N A 46 SER CA A 46 SER C 1.0 -122.0 -78.0 PHI 84 84 A 46 SER N A 46 SER CA A 46 SER C A 47 ILE N 1.0 111.0 141.0 PSI 85 85 A 46 SER C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -139.0 -103.0 PHI 86 86 A 47 ILE N A 47 ILE CA A 47 ILE C A 48 VAL N 1.0 111.0 155.0 PSI 87 87 A 47 ILE C A 48 VAL N A 48 VAL CA A 48 VAL C 1.0 -101.0 -55.0 PHI 88 88 A 48 VAL N A 48 VAL CA A 48 VAL C A 49 THR N 1.0 116.0 172.0 PSI 89 89 A 48 VAL C A 49 THR N A 49 THR CA A 49 THR C 1.0 -74.0 -50.0 PHI 90 90 A 49 THR N A 49 THR CA A 49 THR C A 50 LYS N 1.0 -49.0 -25.0 PSI 91 91 A 49 THR C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -82.0 -48.0 PHI 92 92 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 ASP N 1.0 -40.0 -6.0 PSI 93 93 A 50 LYS C A 51 ASP N A 51 ASP CA A 51 ASP C 1.0 -119.0 -85.0 PHI 94 94 A 51 ASP N A 51 ASP CA A 51 ASP C A 52 ILE N 1.0 -14.0 20.0 PSI 95 95 A 51 ASP C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -109.0 -65.0 PHI 96 96 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 LYS N 1.0 113.0 143.0 PSI 97 97 A 52 ILE C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -110.0 -72.0 PHI 98 98 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 ASP N 1.0 -45.0 -1.0 PSI 99 99 A 53 LYS C A 54 ASP N A 54 ASP CA A 54 ASP C 1.0 -170.0 -138.0 PHI 100 100 A 54 ASP N A 54 ASP CA A 54 ASP C A 55 LEU N 1.0 124.0 156.0 PSI 101 101 A 54 ASP C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -152.0 -110.0 PHI 102 102 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 ARG N 1.0 116.0 144.0 PSI 103 103 A 55 LEU C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -150.0 -100.0 PHI 104 104 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 ILE N 1.0 123.0 159.0 PSI 105 105 A 56 ARG C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -115.0 -85.0 PHI 106 106 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 LEU N 1.0 102.0 130.0 PSI 107 107 A 57 ILE C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -95.0 -59.0 PHI 108 108 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 PRO N 1.0 121.0 163.0 PSI 109 109 A 63 ILE C A 64 MET N A 64 MET CA A 64 MET C 1.0 -114.4 -64.2 PHI 110 110 A 64 MET N A 64 MET CA A 64 MET C A 65 PRO N 1.0 117.2 164.6 PSI 111 111 A 80 LYS C A 81 SER N A 81 SER CA A 81 SER C 1.0 -74.0 -48.0 PHI 112 112 A 81 SER N A 81 SER CA A 81 SER C A 82 ALA N 1.0 -40.0 -10.0 PSI 113 113 A 81 SER C A 82 ALA N A 82 ALA CA A 82 ALA C 1.0 -101.0 -63.0 PHI 114 114 A 82 ALA N A 82 ALA CA A 82 ALA C A 83 GLU N 1.0 -37.0 11.0 PSI 115 115 A 93 MET C A 94 ASP N A 94 ASP CA A 94 ASP C 1.0 -117.0 -55.0 PHI 116 116 A 94 ASP N A 94 ASP CA A 94 ASP C A 95 CYS N 1.0 133.0 163.0 PSI 117 117 A 96 ASP C A 97 GLU N A 97 GLU CA A 97 GLU C 1.0 -133.0 -101.0 PHI 118 118 A 97 GLU N A 97 GLU CA A 97 GLU C A 98 GLU N 1.0 133.0 175.0 PSI stop_ save_ save_CNS/XPLOR_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_6 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 5 ASP N A 5 ASP CA A 5 ASP CB A 5 ASP CG 1.0 -90.0 -30.0 CHI1 2 2 A 6 PHE N A 6 PHE CA A 6 PHE CB A 6 PHE CG 1.0 -90.0 -30.0 CHI1 3 3 A 2 SER N A 2 SER CA A 2 SER CB A 2 SER OG 1.0 -90.0 -30.0 CHI1 4 4 A 11 VAL N A 11 VAL CA A 11 VAL CB A 11 VAL CG1 1.0 -90.0 -30.0 CHI1 5 5 A 12 GLU N A 12 GLU CA A 12 GLU CB A 12 GLU CG 1.0 150.0 210.0 CHI1 6 6 A 13 VAL N A 13 VAL CA A 13 VAL CB A 13 VAL CG1 1.0 30.0 90.0 CHI1 7 7 A 14 LEU N A 14 LEU CA A 14 LEU CB A 14 LEU CG 1.0 -90.0 -30.0 CHI1 8 8 A 14 LEU CA A 14 LEU CB A 14 LEU CG A 14 LEU CD1 1.0 150.0 210.0 CHI2 9 9 A 15 LEU N A 15 LEU CA A 15 LEU CB A 15 LEU CG 1.0 -90.0 -30.0 CHI1 10 10 A 15 LEU CA A 15 LEU CB A 15 LEU CG A 15 LEU CD1 1.0 150.0 210.0 CHI2 11 11 A 16 ASN N A 16 ASN CA A 16 ASN CB A 16 ASN CG 1.0 30.0 90.0 CHI1 12 12 A 17 ASN N A 17 ASN CA A 17 ASN CB A 17 ASN CG 1.0 30.0 90.0 CHI1 13 13 A 18 ASP N A 18 ASP CA A 18 ASP CB A 18 ASP CG 1.0 -90.0 90.0 CHI1 14 14 A 19 SER N A 19 SER CA A 19 SER CB A 19 SER OG 1.0 30.0 90.0 CHI1 15 15 A 22 ARG N A 22 ARG CA A 22 ARG CB A 22 ARG CG 1.0 -90.0 90.0 CHI1 16 16 A 24 VAL N A 24 VAL CA A 24 VAL CB A 24 VAL CG1 1.0 150.0 210.0 CHI1 17 17 A 25 ILE N A 25 ILE CA A 25 ILE CB A 25 ILE CG1 1.0 -90.0 -30.0 CHI1 18 18 A 25 ILE CA A 25 ILE CB A 25 ILE CG1 A 25 ILE CD1 1.0 150.0 210.0 CHI2 19 19 A 26 THR N A 26 THR CA A 26 THR CB A 26 THR OG1 1.0 30.0 90.0 CHI1 20 20 A 27 ASN N A 27 ASN CA A 27 ASN CB A 27 ASN CG 1.0 150.0 210.0 CHI1 21 21 A 28 PHE N A 28 PHE CA A 28 PHE CB A 28 PHE CG 1.0 150.0 210.0 CHI1 22 22 A 29 ASP N A 29 ASP CA A 29 ASP CB A 29 ASP CG 1.0 150.0 210.0 CHI1 23 23 A 33 SER N A 33 SER CA A 33 SER CB A 33 SER OG 1.0 -90.0 90.0 CHI1 24 24 A 34 ILE N A 34 ILE CA A 34 ILE CB A 34 ILE CG1 1.0 -90.0 -30.0 CHI1 25 25 A 34 ILE CA A 34 ILE CB A 34 ILE CG1 A 34 ILE CD1 1.0 -90.0 -30.0 CHI2 26 26 A 35 LEU N A 35 LEU CA A 35 LEU CB A 35 LEU CG 1.0 150.0 210.0 CHI1 27 27 A 35 LEU CA A 35 LEU CB A 35 LEU CG A 35 LEU CD1 1.0 30.0 90.0 CHI2 28 28 A 36 GLN N A 36 GLN CA A 36 GLN CB A 36 GLN CG 1.0 -90.0 -30.0 CHI1 29 29 A 37 LEU N A 37 LEU CA A 37 LEU CB A 37 LEU CG 1.0 -90.0 -30.0 CHI1 30 30 A 37 LEU CA A 37 LEU CB A 37 LEU CG A 37 LEU CD1 1.0 150.0 210.0 CHI2 31 31 A 39 LEU N A 39 LEU CA A 39 LEU CB A 39 LEU CG 1.0 150.0 210.0 CHI1 32 32 A 39 LEU CA A 39 LEU CB A 39 LEU CG A 39 LEU CD1 1.0 30.0 90.0 CHI2 33 33 A 43 SER N A 43 SER CA A 43 SER CB A 43 SER OG 1.0 -90.0 -30.0 CHI1 34 34 A 44 THR N A 44 THR CA A 44 THR CB A 44 THR OG1 1.0 150.0 210.0 CHI1 35 35 A 46 SER N A 46 SER CA A 46 SER CB A 46 SER OG 1.0 30.0 90.0 CHI1 36 36 A 47 ILE N A 47 ILE CA A 47 ILE CB A 47 ILE CG1 1.0 -90.0 -30.0 CHI1 37 37 A 47 ILE CA A 47 ILE CB A 47 ILE CG1 A 47 ILE CD1 1.0 150.0 210.0 CHI2 38 38 A 48 VAL N A 48 VAL CA A 48 VAL CB A 48 VAL CG1 1.0 150.0 210.0 CHI1 39 39 A 49 THR N A 49 THR CA A 49 THR CB A 49 THR OG1 1.0 30.0 90.0 CHI1 40 40 A 51 ASP N A 51 ASP CA A 51 ASP CB A 51 ASP CG 1.0 30.0 90.0 CHI1 41 41 A 52 ILE N A 52 ILE CA A 52 ILE CB A 52 ILE CG1 1.0 -90.0 -30.0 CHI1 42 42 A 52 ILE CA A 52 ILE CB A 52 ILE CG1 A 52 ILE CD1 1.0 150.0 210.0 CHI2 43 43 A 53 LYS N A 53 LYS CA A 53 LYS CB A 53 LYS CG 1.0 150.0 210.0 CHI1 44 44 A 54 ASP N A 54 ASP CA A 54 ASP CB A 54 ASP CG 1.0 -90.0 -30.0 CHI1 45 45 A 55 LEU N A 55 LEU CA A 55 LEU CB A 55 LEU CG 1.0 -90.0 -30.0 CHI1 46 46 A 55 LEU CA A 55 LEU CB A 55 LEU CG A 55 LEU CD1 1.0 150.0 210.0 CHI2 47 47 A 57 ILE N A 57 ILE CA A 57 ILE CB A 57 ILE CG1 1.0 -90.0 -30.0 CHI1 48 48 A 57 ILE CA A 57 ILE CB A 57 ILE CG1 A 57 ILE CD1 1.0 150.0 210.0 CHI2 49 49 A 58 LEU N A 58 LEU CA A 58 LEU CB A 58 LEU CG 1.0 -90.0 -30.0 CHI1 50 50 A 58 LEU CA A 58 LEU CB A 58 LEU CG A 58 LEU CD1 1.0 150.0 210.0 CHI2 stop_ save_