data_nef_c16926_2kxx save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_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 17 GLY start . false 2 A 18 SER middle . . 3 A 19 HIS middle . . 4 A 20 MET middle . . 5 A 21 SER middle . . 6 A 22 THR middle . . 7 A 23 LEU middle . . 8 A 24 GLU middle . . 9 A 25 ARG middle . . 10 A 26 VAL middle . . 11 A 27 VAL middle . . 12 A 28 TYR middle . . 13 A 29 ARG middle . . 14 A 30 PRO middle . false 15 A 31 ASP middle . . 16 A 32 ILE middle . . 17 A 33 ASN middle . . 18 A 34 GLN middle . . 19 A 35 GLY middle . false 20 A 36 ASN middle . . 21 A 37 TYR middle . . 22 A 38 LEU middle . . 23 A 39 THR middle . . 24 A 40 ALA middle . . 25 A 41 ASN middle . . 26 A 42 ASP middle . . 27 A 43 VAL middle . . 28 A 44 SER middle . . 29 A 45 LYS middle . . 30 A 46 ILE middle . . 31 A 47 ARG middle . . 32 A 48 VAL middle . . 33 A 49 GLY middle . false 34 A 50 MET middle . . 35 A 51 THR middle . . 36 A 52 GLN middle . . 37 A 53 GLN middle . . 38 A 54 GLN middle . . 39 A 55 VAL middle . . 40 A 56 ALA middle . . 41 A 57 TYR middle . . 42 A 58 ALA middle . . 43 A 59 LEU middle . . 44 A 60 GLY middle . false 45 A 61 THR middle . . 46 A 62 PRO middle . false 47 A 63 LEU middle . . 48 A 64 MET middle . . 49 A 65 SER middle . . 50 A 66 ASP middle . . 51 A 67 PRO middle . false 52 A 68 PHE middle . . 53 A 69 GLY middle . false 54 A 70 THR middle . . 55 A 71 ASN middle . . 56 A 72 THR middle . . 57 A 73 TRP middle . . 58 A 74 PHE middle . . 59 A 75 TYR middle . . 60 A 76 VAL middle . . 61 A 77 PHE middle . . 62 A 78 ARG middle . . 63 A 79 GLN middle . . 64 A 80 GLN middle . . 65 A 81 PRO middle . false 66 A 82 GLY middle . false 67 A 83 HIS middle . . 68 A 84 GLU middle . . 69 A 85 GLY middle . false 70 A 86 VAL middle . . 71 A 87 THR middle . . 72 A 88 GLN middle . . 73 A 89 GLN middle . . 74 A 90 THR middle . . 75 A 91 LEU middle . . 76 A 92 THR middle . . 77 A 93 LEU middle . . 78 A 94 THR middle . . 79 A 95 PHE middle . . 80 A 96 ASN middle . . 81 A 97 SER middle . . 82 A 98 SER middle . . 83 A 99 GLY middle . false 84 A 100 VAL middle . . 85 A 101 LEU middle . . 86 A 102 THR middle . . 87 A 103 ASN middle . . 88 A 104 ILE middle . . 89 A 105 ASP middle . . 90 A 106 ASN middle . . 91 A 107 LYS middle . . 92 A 108 PRO middle . false 93 A 109 ALA middle . . 94 A 110 LEU middle . . 95 A 111 SER middle . . 96 A 112 GLY middle . false 97 A 113 ASN end . . stop_ save_ save_assigned_chem_shift_list _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list 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 26 VAL HGy% H 1 0.85 0 A 26 VAL CGy C 13 21.05 0 A 27 VAL H H 1 8.25 0.01 A 27 VAL HA H 1 4.01 0.01 A 27 VAL HB H 1 1.91 0 A 27 VAL HGx% H 1 0.85 0 A 27 VAL HGy% H 1 0.81 0 A 27 VAL CA C 13 61.94 0.16 A 27 VAL CB C 13 32.79 0 A 27 VAL CGx C 13 20.71 0.01 A 27 VAL CGy C 13 20.98 0 A 27 VAL N N 15 125.35 0 A 28 TYR H H 1 8.43 0 A 28 TYR HA H 1 4.49 0 A 28 TYR HBy H 1 2.86 0 A 28 TYR HDy H 1 7.01 0 A 28 TYR CA C 13 57.79 0 A 28 TYR CB C 13 38.85 0 A 28 TYR CDx C 13 132.53 0.03 A 28 TYR N N 15 126.15 0 A 29 ARG H H 1 8.23 0 A 29 ARG HA H 1 4.48 0.01 A 29 ARG HBx H 1 1.57 0.01 A 29 ARG HBy H 1 1.73 0 A 29 ARG CA C 13 52.95 0.04 A 29 ARG CB C 13 30.59 0.04 A 29 ARG N N 15 125.23 0.02 A 30 PRO HA H 1 4.26 0.01 A 30 PRO HBx H 1 2.18 0.01 A 30 PRO HDy H 1 3.58 0.06 A 30 PRO HDx H 1 3.38 0 A 30 PRO HGx H 1 1.9 0.01 A 30 PRO CA C 13 62.95 0.04 A 30 PRO CB C 13 31.85 0.02 A 30 PRO CD C 13 50.28 0.02 A 30 PRO CG C 13 27.06 0.01 A 31 ASP H H 1 8.48 0 A 31 ASP HA H 1 4.5 0.01 A 31 ASP HBx H 1 2.6 0 A 31 ASP HBy H 1 2.65 0 A 31 ASP CB C 13 40.7 0.01 A 31 ASP N N 15 119.31 0 A 32 ILE H H 1 7.94 0.01 A 32 ILE HA H 1 4.13 0 A 32 ILE HB H 1 1.85 0.01 A 32 ILE HD1% H 1 0.79 0.02 A 32 ILE HG1y H 1 1.35 0.01 A 32 ILE HG1x H 1 1.11 0.01 A 32 ILE HG2% H 1 0.84 0 A 32 ILE CA C 13 61.21 0.05 A 32 ILE CB C 13 38.55 0 A 32 ILE CD1 C 13 13.22 0.02 A 32 ILE CG1 C 13 27.09 0.02 A 32 ILE CG2 C 13 17.51 0.02 A 32 ILE N N 15 120.53 0.01 A 33 ASN H H 1 8.48 0 A 33 ASN HA H 1 4.67 0 A 33 ASN HBy H 1 2.81 0 A 33 ASN HBx H 1 2.72 0 A 33 ASN HD2y H 1 7.68 0 A 33 ASN HD2x H 1 6.94 0 A 33 ASN CB C 13 38.7 0.01 A 33 ASN N N 15 121.48 0.01 A 33 ASN ND2 N 15 113.67 0.01 A 34 GLN H H 1 8.27 0 A 34 GLN HA H 1 4.27 0.01 A 34 GLN HBy H 1 2.09 0.05 A 34 GLN HBx H 1 1.95 0.01 A 34 GLN HE2y H 1 7.56 0.02 A 34 GLN HE2x H 1 6.88 0 A 34 GLN HGx H 1 2.31 0.01 A 34 GLN CA C 13 55.93 0 A 34 GLN CB C 13 29.31 0.02 A 34 GLN CG C 13 33.62 0.03 A 34 GLN N N 15 120.27 0 A 34 GLN NE2 N 15 112.24 0.04 A 35 GLY H H 1 8.36 0 A 35 GLY HAx H 1 3.87 0 A 35 GLY CA C 13 45.22 0 A 35 GLY N N 15 109.07 0 A 36 ASN H H 1 8.21 0.01 A 36 ASN HA H 1 4.7 0 A 36 ASN HBx H 1 2.63 0 A 36 ASN HBy H 1 2.72 0.01 A 36 ASN HD2y H 1 7.54 0 A 36 ASN HD2x H 1 6.94 0 A 36 ASN CB C 13 38.71 0.03 A 36 ASN N N 15 118.61 0 A 36 ASN ND2 N 15 112.75 0.01 A 37 TYR H H 1 7.96 0 A 37 TYR HA H 1 4.81 0 A 37 TYR HBy H 1 3.03 0.01 A 37 TYR HBx H 1 2.88 0.01 A 37 TYR HDy H 1 7 0 A 37 TYR HEy H 1 6.74 0 A 37 TYR CB C 13 39.34 0.16 A 37 TYR CDx C 13 132.72 0.03 A 37 TYR CEx C 13 117.59 0.02 A 37 TYR N N 15 119.35 0 A 38 LEU H H 1 8.63 0 A 38 LEU HA H 1 4.67 0 A 38 LEU HBy H 1 1.65 0 A 38 LEU HBx H 1 1.43 0.01 A 38 LEU HDx% H 1 0.74 0 A 38 LEU HDy% H 1 0.74 0 A 38 LEU HG H 1 0.57 0.01 A 38 LEU CB C 13 44.16 0.02 A 38 LEU CDy C 13 23.22 0.03 A 38 LEU CDx C 13 23.18 0 A 38 LEU CG C 13 26.59 0.06 A 38 LEU N N 15 122.25 0 A 39 THR H H 1 9.21 0 A 39 THR HA H 1 5.1 0 A 39 THR HB H 1 4.57 0 A 39 THR HG2% H 1 1.29 0 A 39 THR CB C 13 72.46 0.04 A 39 THR CG2 C 13 21.54 0.03 A 39 THR N N 15 112.06 0 A 40 ALA H H 1 8.7 0 A 40 ALA HA H 1 3.88 0 A 40 ALA HB% H 1 1.46 0 A 40 ALA CA C 13 55.05 0.01 A 40 ALA CB C 13 18.34 0.02 A 40 ALA N N 15 123.41 0 A 41 ASN H H 1 8.25 0 A 41 ASN HA H 1 4.41 0 A 41 ASN HBx H 1 2.67 0 A 41 ASN HD2y H 1 7.74 0.01 A 41 ASN HD2x H 1 7.01 0 A 41 ASN CA C 13 55.46 0 A 41 ASN CB C 13 38.33 0.03 A 41 ASN N N 15 115.27 0 A 41 ASN ND2 N 15 113.59 0 A 42 ASP H H 1 7.78 0 A 42 ASP HA H 1 4.3 0 A 42 ASP HBy H 1 2.88 0.01 A 42 ASP HBx H 1 2.54 0 A 42 ASP CA C 13 57.25 0.01 A 42 ASP CB C 13 41.73 0.03 A 42 ASP N N 15 119.24 0 A 43 VAL H H 1 7.29 0 A 43 VAL HA H 1 3.4 0 A 43 VAL HB H 1 1.88 0 A 43 VAL HGx% H 1 0.69 0.01 A 43 VAL HGy% H 1 0.53 0.01 A 43 VAL CA C 13 65.16 0 A 43 VAL CB C 13 31.25 0.03 A 43 VAL CGx C 13 21.55 0.03 A 43 VAL CGy C 13 22.16 0.01 A 43 VAL N N 15 115.56 0 A 44 SER H H 1 7.62 0 A 44 SER HA H 1 4.25 0 A 44 SER HBx H 1 3.95 0 A 44 SER CA C 13 60.09 0 A 44 SER CB C 13 62.94 0.01 A 44 SER N N 15 114.14 0 A 45 LYS H H 1 7.38 0.01 A 45 LYS HA H 1 4.11 0 A 45 LYS HBy H 1 1.94 0.01 A 45 LYS HBx H 1 1.8 0.01 A 45 LYS HDx H 1 1.68 0.01 A 45 LYS HEx H 1 2.94 0.01 A 45 LYS HGx H 1 1.38 0.01 A 45 LYS HGy H 1 1.58 0 A 45 LYS CA C 13 57.06 0.04 A 45 LYS CB C 13 33.48 0.04 A 45 LYS CD C 13 29.38 0.07 A 45 LYS CE C 13 42.15 0.01 A 45 LYS CG C 13 25.7 0.02 A 45 LYS N N 15 118.98 0.01 A 46 ILE H H 1 7.23 0 A 46 ILE HA H 1 4.59 0.01 A 46 ILE HB H 1 1.77 0 A 46 ILE HD1% H 1 0.7 0 A 46 ILE HG1x H 1 1.32 0.02 A 46 ILE HG2% H 1 0.77 0 A 46 ILE CB C 13 39.7 0.01 A 46 ILE CD1 C 13 14.29 0.04 A 46 ILE CG1 C 13 25.88 0 A 46 ILE CG2 C 13 19.07 0.03 A 46 ILE N N 15 111.18 0 A 47 ARG H H 1 7.54 0 A 47 ARG HA H 1 4.54 0.01 A 47 ARG HBy H 1 1.81 0 A 47 ARG HBx H 1 1.58 0 A 47 ARG HDx H 1 3.12 0.01 A 47 ARG HGx H 1 1.49 0.01 A 47 ARG CA C 13 53.63 0.02 A 47 ARG CB C 13 33.47 0.01 A 47 ARG CD C 13 43.04 0.02 A 47 ARG CG C 13 26.05 0.05 A 47 ARG N N 15 118.77 0 A 48 VAL H H 1 8.55 0 A 48 VAL HA H 1 3.3 0 A 48 VAL HB H 1 1.93 0.01 A 48 VAL HGx% H 1 0.86 0 A 48 VAL HGy% H 1 0.83 0 A 48 VAL CA C 13 64.69 0 A 48 VAL CB C 13 31.52 0 A 48 VAL CGy C 13 21.04 0.02 A 48 VAL CGx C 13 20.77 0.01 A 48 VAL N N 15 120.16 0 A 49 GLY H H 1 8.79 0 A 49 GLY HAy H 1 4.55 0 A 49 GLY HAx H 1 3.38 0 A 49 GLY CA C 13 44.39 0.05 A 49 GLY N N 15 113.45 0 A 50 MET H H 1 7.46 0 A 50 MET HA H 1 4.6 0 A 50 MET HBy H 1 2.36 0.01 A 50 MET HBx H 1 1.86 0.01 A 50 MET HE% H 1 2.18 0 A 50 MET HGy H 1 2.91 0 A 50 MET HGx H 1 2.52 0.01 A 50 MET CB C 13 35.68 0.03 A 50 MET CE C 13 17.63 0.02 A 50 MET CG C 13 33.95 0.02 A 50 MET N N 15 119.53 0.01 A 51 THR H H 1 8.86 0 A 51 THR HA H 1 5.12 0 A 51 THR HB H 1 4.84 0 A 51 THR HG2% H 1 1.3 0 A 51 THR CG2 C 13 22.06 0.04 A 51 THR N N 15 110.81 0 A 52 GLN H H 1 8.4 0.01 A 52 GLN HA H 1 3.22 0 A 52 GLN HBx H 1 1.74 0.01 A 52 GLN HBy H 1 1.85 0.01 A 52 GLN HGx H 1 1.17 0.01 A 52 GLN CA C 13 59.78 0 A 52 GLN CB C 13 28.86 0.02 A 52 GLN CG C 13 33.76 0.03 A 52 GLN N N 15 119.07 0 A 53 GLN H H 1 8.6 0 A 53 GLN HA H 1 4.08 0 A 53 GLN HBy H 1 2.08 0.01 A 53 GLN HBx H 1 1.96 0 A 53 GLN HE2y H 1 7.14 0.01 A 53 GLN HE2x H 1 6.84 0.01 A 53 GLN HGy H 1 2.38 0 A 53 GLN HGx H 1 2.27 0.01 A 53 GLN CA C 13 60.11 0.01 A 53 GLN CB C 13 27.71 0.11 A 53 GLN CG C 13 34.33 0.03 A 53 GLN N N 15 117.21 0.01 A 53 GLN NE2 N 15 112.92 0.01 A 54 GLN H H 1 7.87 0 A 54 GLN HA H 1 4.12 0 A 54 GLN HBy H 1 2.58 0.01 A 54 GLN HBx H 1 2.08 0 A 54 GLN HE2y H 1 7.68 0 A 54 GLN HE2x H 1 6.9 0 A 54 GLN HGx H 1 2.52 0 A 54 GLN CA C 13 58.99 0.01 A 54 GLN CB C 13 28.92 0.02 A 54 GLN CG C 13 34.89 0.03 A 54 GLN N N 15 119.45 0 A 54 GLN NE2 N 15 111.32 0.01 A 55 VAL H H 1 8.8 0 A 55 VAL HA H 1 3.61 0 A 55 VAL HB H 1 2.42 0 A 55 VAL HGx% H 1 1.28 0 A 55 VAL HGy% H 1 1.16 0 A 55 VAL CA C 13 67.17 0.02 A 55 VAL CB C 13 31.27 0.01 A 55 VAL CGx C 13 22.88 0.02 A 55 VAL CGy C 13 24.2 0 A 55 VAL N N 15 121.99 0 A 56 ALA H H 1 8.98 0 A 56 ALA HA H 1 4.16 0.01 A 56 ALA HB% H 1 1.71 0.01 A 56 ALA CA C 13 54.27 0 A 56 ALA CB C 13 18.14 0.02 A 56 ALA N N 15 121.83 0 A 57 TYR H H 1 8.15 0 A 57 TYR HA H 1 4.29 0.01 A 57 TYR HBy H 1 3.2 0 A 57 TYR HBx H 1 3.14 0 A 57 TYR HDy H 1 7.17 0 A 57 TYR HEy H 1 6.81 0.01 A 57 TYR CA C 13 60.49 0.01 A 57 TYR CB C 13 37.94 0.01 A 57 TYR CDx C 13 132.31 0.01 A 57 TYR CEx C 13 117.73 0.02 A 57 TYR N N 15 118.47 0 A 58 ALA H H 1 7.6 0 A 58 ALA HA H 1 4.17 0 A 58 ALA HB% H 1 1.44 0.01 A 58 ALA CA C 13 54.41 0 A 58 ALA CB C 13 19.46 0.01 A 58 ALA N N 15 119.95 0 A 59 LEU H H 1 8.62 0.01 A 59 LEU HA H 1 4.33 0.01 A 59 LEU HBy H 1 1.72 0.01 A 59 LEU HBx H 1 1.25 0.01 A 59 LEU HDx% H 1 0.46 0 A 59 LEU HDy% H 1 0.22 0 A 59 LEU HG H 1 1.48 0.01 A 59 LEU CA C 13 54.57 0.02 A 59 LEU CB C 13 42.93 0.05 A 59 LEU CDx C 13 22.37 0.03 A 59 LEU CDy C 13 25.21 0.02 A 59 LEU CG C 13 26.32 0.14 A 59 LEU N N 15 113.26 0 A 60 GLY H H 1 7.69 0 A 60 GLY HAy H 1 4.39 0.02 A 60 GLY HAx H 1 3.92 0 A 60 GLY CA C 13 44.06 0.01 A 60 GLY N N 15 108.28 0.01 A 61 THR H H 1 8.4 0 A 61 THR HA H 1 3.9 0 A 61 THR HB H 1 3.77 0 A 61 THR HG2% H 1 1.04 0 A 61 THR CA C 13 60.29 0.01 A 61 THR CB C 13 68.1 0 A 61 THR CG2 C 13 22.49 0.01 A 61 THR N N 15 114.35 0 A 62 PRO HA H 1 3.92 0 A 62 PRO HBy H 1 1.3 0.01 A 62 PRO HBx H 1 1.16 0 A 62 PRO HDy H 1 2.71 0.01 A 62 PRO HDx H 1 2.07 0 A 62 PRO HGy H 1 0.59 0.01 A 62 PRO HGx H 1 0.34 0.01 A 62 PRO CA C 13 61.81 0.06 A 62 PRO CB C 13 31.67 0.03 A 62 PRO CD C 13 48.93 0.04 A 62 PRO CG C 13 26.47 0.04 A 63 LEU H H 1 8.42 0 A 63 LEU HA H 1 4.17 0.01 A 63 LEU HBx H 1 1.51 0 A 63 LEU HDx% H 1 0.77 0 A 63 LEU HDy% H 1 0.77 0 A 63 LEU HG H 1 1.53 0 A 63 LEU CA C 13 54.4 0 A 63 LEU CB C 13 39.45 0 A 63 LEU CDy C 13 24.17 0.16 A 63 LEU CDx C 13 23.87 0 A 63 LEU CG C 13 26.87 0 A 63 LEU N N 15 122.65 0 A 64 MET H H 1 7.59 0 A 64 MET HA H 1 4.52 0 A 64 MET HBy H 1 2.02 0 A 64 MET HBx H 1 1.74 0.01 A 64 MET HE% H 1 2.14 0 A 64 MET HGy H 1 2.06 0 A 64 MET HGx H 1 1.9 0 A 64 MET CB C 13 35.48 0.02 A 64 MET CE C 13 16.87 0.01 A 64 MET CG C 13 29.91 0.02 A 64 MET N N 15 120.71 0 A 65 SER H H 1 8.66 0 A 65 SER HA H 1 4.26 0.01 A 65 SER HBx H 1 3.77 0 A 65 SER CA C 13 59.24 0.01 A 65 SER CB C 13 63.12 0.02 A 65 SER N N 15 116.82 0 A 66 ASP H H 1 8.66 0 A 66 ASP HA H 1 4.71 0 A 66 ASP HBy H 1 2.8 0 A 66 ASP HBx H 1 2.4 0 A 66 ASP CB C 13 40.61 0.01 A 66 ASP N N 15 119.11 0.01 A 67 PRO HA H 1 4.04 0 A 67 PRO HBx H 1 0.88 0 A 67 PRO HBy H 1 1.2 0 A 67 PRO HDy H 1 3.78 0.02 A 67 PRO HDx H 1 3.43 0.01 A 67 PRO HGy H 1 1.62 0.02 A 67 PRO HGx H 1 1.59 0 A 67 PRO CA C 13 64.87 0.03 A 67 PRO CB C 13 30.8 0.01 A 67 PRO CD C 13 49.83 0 A 67 PRO CG C 13 26.93 0.02 A 68 PHE H H 1 8.41 0 A 68 PHE HA H 1 4.68 0 A 68 PHE HBy H 1 3.37 0 A 68 PHE HBx H 1 2.98 0 A 68 PHE HDy H 1 7.35 0 A 68 PHE CB C 13 36.78 0.02 A 68 PHE CDx C 13 131.26 0 A 68 PHE N N 15 114.25 0 A 69 GLY H H 1 7.87 0 A 69 GLY HAy H 1 4.38 0 A 69 GLY HAx H 1 3.81 0 A 69 GLY CA C 13 44.81 0.01 A 69 GLY N N 15 108.11 0.01 A 70 THR H H 1 7.48 0 A 70 THR HA H 1 4.71 0 A 70 THR HB H 1 4.19 0 A 70 THR HG2% H 1 1.43 0 A 70 THR CB C 13 69.93 0.01 A 70 THR CG2 C 13 21.2 0.01 A 70 THR N N 15 115.03 0 A 71 ASN H H 1 8.38 0 A 71 ASN HA H 1 4.66 0 A 71 ASN HBx H 1 3.1 0 A 71 ASN HD2y H 1 7.35 0 A 71 ASN HD2x H 1 6.83 0 A 71 ASN CB C 13 38.8 0.01 A 71 ASN N N 15 120.56 0 A 71 ASN ND2 N 15 111.49 0.01 A 72 THR H H 1 7.37 0 A 72 THR HA H 1 5.49 0 A 72 THR HB H 1 3.85 0 A 72 THR HG2% H 1 0.86 0 A 72 THR CA C 13 61.4 0 A 72 THR CB C 13 70.98 0.01 A 72 THR CG2 C 13 21.67 0 A 72 THR N N 15 114.82 0 A 73 TRP H H 1 9.34 0 A 73 TRP HA H 1 5.13 0.01 A 73 TRP HBy H 1 3.34 0.01 A 73 TRP HBx H 1 2.99 0 A 73 TRP HD1 H 1 6.95 0.01 A 73 TRP HE1 H 1 10.37 0 A 73 TRP HE3 H 1 7.85 0 A 73 TRP HH2 H 1 6.78 0 A 73 TRP HZ2 H 1 6.04 0 A 73 TRP HZ3 H 1 6.92 0 A 73 TRP CB C 13 34.33 0.03 A 73 TRP CD1 C 13 123.29 0 A 73 TRP CE3 C 13 121.13 0 A 73 TRP CH2 C 13 124.2 0.02 A 73 TRP CZ2 C 13 112.17 0 A 73 TRP CZ3 C 13 120.91 0 A 73 TRP N N 15 126.55 0 A 73 TRP NE1 N 15 130.13 0 A 74 PHE H H 1 7.83 0 A 74 PHE HA H 1 5.78 0 A 74 PHE HBy H 1 2.91 0 A 74 PHE HBx H 1 2.76 0.01 A 74 PHE HEy H 1 7.2 0 A 74 PHE CA C 13 55.82 0.01 A 74 PHE CB C 13 42.18 0.02 A 74 PHE CEx C 13 131.71 0.01 A 74 PHE N N 15 120.26 0 A 75 TYR H H 1 9.04 0 A 75 TYR HA H 1 4.68 0.01 A 75 TYR HBy H 1 2.83 0 A 75 TYR HBx H 1 2.53 0.01 A 75 TYR HDy H 1 6.91 0 A 75 TYR HEy H 1 6.51 0 A 75 TYR CB C 13 43.08 0.04 A 75 TYR CDx C 13 132.49 0.01 A 75 TYR CEx C 13 117 0 A 75 TYR N N 15 120.11 0 A 76 VAL H H 1 8.65 0 A 76 VAL HA H 1 4.72 0.01 A 76 VAL HB H 1 1.91 0 A 76 VAL HGx% H 1 0.87 0 A 76 VAL HGy% H 1 0.87 0 A 76 VAL CB C 13 33.75 0.03 A 76 VAL CGy C 13 21.43 0 A 76 VAL CGx C 13 21.24 0 A 76 VAL N N 15 119.98 0 A 77 PHE H H 1 8.67 0.02 A 77 PHE HA H 1 5.08 0.01 A 77 PHE HBy H 1 2.8 0 A 77 PHE HBx H 1 2.68 0 A 77 PHE HDy H 1 6.84 0.01 A 77 PHE HEy H 1 7.01 0 A 77 PHE CB C 13 41.58 0.04 A 77 PHE CDx C 13 131.07 0.03 A 77 PHE CEx C 13 130.55 0 A 77 PHE N N 15 123.16 0.01 A 78 ARG H H 1 8.73 0.01 A 78 ARG HA H 1 4.54 0.01 A 78 ARG HBy H 1 1.72 0.01 A 78 ARG HBx H 1 1.6 0.01 A 78 ARG HDy H 1 2.9 0.01 A 78 ARG HDx H 1 2.79 0.01 A 78 ARG HGx H 1 1.5 0 A 78 ARG CB C 13 31.85 0.05 A 78 ARG CD C 13 43.17 0 A 78 ARG CG C 13 27.24 0.03 A 78 ARG N N 15 121.41 0 A 79 GLN H H 1 8.62 0.01 A 79 GLN HA H 1 4.37 0.01 A 79 GLN HBy H 1 2.01 0 A 79 GLN HBx H 1 1.9 0 A 79 GLN HGx H 1 2.34 0.02 A 79 GLN CA C 13 55.53 0.02 A 79 GLN CB C 13 30.14 0.02 A 79 GLN CG C 13 33.45 0 A 79 GLN N N 15 122.21 0 A 80 GLN H H 1 8.6 0 A 80 GLN HA H 1 4.57 0 A 80 GLN HBy H 1 2.04 0.01 A 80 GLN HBx H 1 1.82 0.01 A 80 GLN HGy H 1 2.35 0 A 80 GLN HGx H 1 2.28 0 A 80 GLN CB C 13 28.77 0.01 A 80 GLN CG C 13 33.35 0.04 A 80 GLN N N 15 121.57 0 A 81 PRO HA H 1 4.36 0.01 A 81 PRO HBy H 1 2.25 0.01 A 81 PRO HBx H 1 1.89 0 A 81 PRO HDy H 1 3.8 0.01 A 81 PRO HDx H 1 3.65 0.01 A 81 PRO HGx H 1 1.98 0 A 81 PRO HGy H 1 2.08 0 A 81 PRO CA C 13 63.58 0 A 81 PRO CB C 13 31.79 0 A 81 PRO CD C 13 50.46 0.03 A 81 PRO CG C 13 27.49 0.04 A 82 GLY H H 1 8.66 0 A 82 GLY HAy H 1 4.05 0 A 82 GLY HAx H 1 3.83 0.01 A 82 GLY CA C 13 45.01 0.03 A 82 GLY N N 15 110.94 0 A 83 HIS HA H 1 4.6 0 A 83 HIS HBy H 1 3.19 0 A 83 HIS HBx H 1 3.07 0 A 83 HIS CB C 13 30.1 0 A 84 GLU H H 1 8.67 0 A 84 GLU HA H 1 4.2 0 A 84 GLU HBy H 1 2.01 0 A 84 GLU HBx H 1 1.9 0 A 84 GLU HGx H 1 2.2 0 A 84 GLU CA C 13 56.98 0.04 A 84 GLU CB C 13 29.72 0.02 A 84 GLU CG C 13 36.17 0 A 84 GLU N N 15 121.57 0 A 85 GLY H H 1 8.43 0.01 A 85 GLY HAy H 1 4.02 0 A 85 GLY HAx H 1 3.9 0.01 A 85 GLY CA C 13 45.09 0.02 A 85 GLY N N 15 109.63 0.01 A 86 VAL H H 1 8.01 0 A 86 VAL HA H 1 4.18 0 A 86 VAL HB H 1 2.08 0 A 86 VAL HGx% H 1 0.91 0 A 86 VAL HGy% H 1 0.91 0 A 86 VAL CA C 13 62.13 0 A 86 VAL CB C 13 32.56 0.01 A 86 VAL CGx C 13 21.27 0 A 86 VAL CGy C 13 21.27 0 A 86 VAL N N 15 118.81 0 A 87 THR H H 1 8.27 0.01 A 87 THR HA H 1 4.29 0 A 87 THR HB H 1 4.15 0.01 A 87 THR HG2% H 1 1.18 0 A 87 THR CA C 13 62.08 0.01 A 87 THR CB C 13 69.84 0.02 A 87 THR CG2 C 13 21.93 0 A 87 THR N N 15 117.84 0 A 88 GLN H H 1 8.38 0.01 A 88 GLN HA H 1 4.59 0.01 A 88 GLN HBy H 1 1.97 0.01 A 88 GLN HBx H 1 1.87 0.01 A 88 GLN HE2y H 1 7.43 0 A 88 GLN HE2x H 1 6.83 0 A 88 GLN HGy H 1 2.23 0.01 A 88 GLN HGx H 1 2.18 0.01 A 88 GLN CB C 13 30.36 0.03 A 88 GLN CG C 13 34.18 0.03 A 88 GLN N N 15 122.35 0 A 88 GLN NE2 N 15 111.82 0.01 A 89 GLN H H 1 8.71 0.01 A 89 GLN HA H 1 4.57 0.01 A 89 GLN HBx H 1 1.97 0 A 89 GLN HE2y H 1 7.32 0 A 89 GLN HE2x H 1 6.65 0 A 89 GLN HGy H 1 2.07 0 A 89 GLN HGx H 1 1.96 0 A 89 GLN CG C 13 33.55 0.03 A 89 GLN N N 15 123.23 0 A 90 THR H H 1 8.7 0.01 A 90 THR HA H 1 4.99 0 A 90 THR HB H 1 4.07 0 A 90 THR HG2% H 1 1.2 0 A 90 THR CB C 13 71.08 0.01 A 90 THR CG2 C 13 21.99 0.03 A 90 THR N N 15 115.81 0 A 91 LEU H H 1 9.29 0 A 91 LEU HA H 1 5.12 0 A 91 LEU HBy H 1 1.9 0 A 91 LEU HBx H 1 1.33 0 A 91 LEU HDx% H 1 0.78 0 A 91 LEU HG H 1 0.6 0.02 A 91 LEU CB C 13 45.78 0.03 A 91 LEU CDx C 13 24.2 0.04 A 91 LEU CDy C 13 26.35 0 A 91 LEU CG C 13 26.36 0.01 A 91 LEU N N 15 128.12 0.02 A 92 THR H H 1 9.02 0 A 92 THR HA H 1 5.13 0 A 92 THR HB H 1 4.01 0 A 92 THR HG2% H 1 1.02 0 A 92 THR CB C 13 69.63 0.04 A 92 THR CG2 C 13 21.59 0.02 A 92 THR N N 15 122.08 0 A 93 LEU H H 1 9.68 0 A 93 LEU HA H 1 4.87 0 A 93 LEU HBx H 1 1.87 0 A 93 LEU HDx% H 1 0.83 0 A 93 LEU HDy% H 1 1.11 0.01 A 93 LEU HG H 1 1.71 0 A 93 LEU CB C 13 43.09 0 A 93 LEU CDx C 13 25.16 0.05 A 93 LEU CDy C 13 28.15 0.04 A 93 LEU CG C 13 27.63 0.12 A 93 LEU N N 15 130.57 0 A 94 THR H H 1 8.07 0 A 94 THR HA H 1 4.78 0 A 94 THR HB H 1 3.71 0 A 94 THR HG2% H 1 1.04 0 A 94 THR CB C 13 70.1 0.01 A 94 THR CG2 C 13 21.04 0.02 A 94 THR N N 15 118.06 0.07 A 95 PHE H H 1 9.24 0.01 A 95 PHE HA H 1 5.18 0.01 A 95 PHE HBy H 1 2.65 0.01 A 95 PHE HBx H 1 2.57 0 A 95 PHE HDy H 1 6.61 0.01 A 95 PHE HZ H 1 6.31 0.02 A 95 PHE CA C 13 55.29 0 A 95 PHE CB C 13 41.48 0.04 A 95 PHE CDx C 13 131.72 0.02 A 95 PHE CZ C 13 127.86 0 A 95 PHE N N 15 124.69 0.07 A 96 ASN H H 1 8.84 0 A 96 ASN HA H 1 4.76 0 A 96 ASN HBy H 1 3.62 0 A 96 ASN HBx H 1 2.95 0 A 96 ASN HD2y H 1 7.70 0 A 96 ASN HD2x H 1 6.98 0 A 96 ASN CB C 13 38.54 0.03 A 96 ASN N N 15 118.42 0.06 A 97 SER H H 1 8.72 0 A 97 SER HA H 1 4.23 0 A 97 SER HBy H 1 4.05 0.01 A 97 SER HBx H 1 3.93 0 A 97 SER CA C 13 60.72 0 A 97 SER CB C 13 62.41 0 A 97 SER N N 15 113.63 0.04 A 98 SER H H 1 7.74 0 A 98 SER HA H 1 4.64 0 A 98 SER HBy H 1 4.04 0 A 98 SER HBx H 1 3.86 0 A 98 SER CB C 13 63.15 0.01 A 98 SER N N 15 116.92 0 A 99 GLY H H 1 8.35 0 A 99 GLY HAy H 1 4.14 0 A 99 GLY HAx H 1 3.39 0 A 99 GLY CA C 13 45.68 0.06 A 99 GLY N N 15 109.44 0 A 100 VAL H H 1 7.71 0.01 A 100 VAL HA H 1 4.21 0.01 A 100 VAL HB H 1 1.85 0.01 A 100 VAL HGx% H 1 0.77 0 A 100 VAL HGy% H 1 0.77 0 A 100 VAL CA C 13 61.67 0.06 A 100 VAL CB C 13 32.81 0.04 A 100 VAL CGx C 13 21.77 0 A 100 VAL CGy C 13 21.77 0 A 100 VAL N N 15 119.83 0.07 A 101 LEU H H 1 9.49 0 A 101 LEU HA H 1 3.73 0.01 A 101 LEU HBy H 1 1.88 0 A 101 LEU HBx H 1 1.15 0.01 A 101 LEU HDx% H 1 0.57 0.01 A 101 LEU HDy% H 1 0.16 0 A 101 LEU HG H 1 0.95 0.02 A 101 LEU CA C 13 55.57 0.02 A 101 LEU CB C 13 42.46 0.23 A 101 LEU CDy C 13 26.33 0.01 A 101 LEU CDx C 13 24.05 0.04 A 101 LEU CG C 13 26.64 0.13 A 101 LEU N N 15 129.04 0.03 A 102 THR H H 1 9.37 0 A 102 THR HA H 1 4.45 0 A 102 THR HB H 1 4.17 0 A 102 THR HG2% H 1 1.17 0.01 A 102 THR CA C 13 62.06 0.01 A 102 THR CB C 13 70.02 0 A 102 THR CG2 C 13 21.75 0.07 A 102 THR N N 15 119.7 0.06 A 103 ASN H H 1 7.37 0 A 103 ASN HA H 1 4.79 0 A 103 ASN HBx H 1 2.47 0.01 A 103 ASN HD2y H 1 7.76 0.01 A 103 ASN HD2x H 1 6.96 0 A 103 ASN CA C 13 54.28 0 A 103 ASN CB C 13 42.4 0.01 A 103 ASN N N 15 118.15 0.06 A 103 ASN ND2 N 15 114.39 0.01 A 104 ILE H H 1 8.54 0.05 A 104 ILE HA H 1 4.12 0 A 104 ILE HB H 1 1.57 0.01 A 104 ILE HD1% H 1 0.67 0 A 104 ILE HG1y H 1 1.22 0.01 A 104 ILE HG1x H 1 0.61 0.01 A 104 ILE HG2% H 1 0.65 0 A 104 ILE CA C 13 60.85 0.03 A 104 ILE CB C 13 40.22 0.01 A 104 ILE CD1 C 13 14.16 0.02 A 104 ILE CG1 C 13 27.39 0.03 A 104 ILE CG2 C 13 17.7 0.02 A 104 ILE N N 15 124.39 0.08 A 105 ASP H H 1 8.58 0 A 105 ASP HA H 1 5.04 0 A 105 ASP HBy H 1 2.75 0 A 105 ASP HBx H 1 2.44 0 A 105 ASP CB C 13 43.86 0.01 A 105 ASP N N 15 126.58 0.07 A 106 ASN H H 1 8.75 0 A 106 ASN HA H 1 5.36 0 A 106 ASN HBy H 1 2.81 0 A 106 ASN HBx H 1 2.57 0.01 A 106 ASN HD2y H 1 7.42 0 A 106 ASN HD2x H 1 6.41 0.01 A 106 ASN CA C 13 52.16 0.02 A 106 ASN CB C 13 39.74 0.02 A 106 ASN N N 15 123.78 0 A 106 ASN ND2 N 15 109.67 0.01 A 107 LYS H H 1 8.43 0 A 107 LYS HA H 1 4.75 0.01 A 107 LYS HBy H 1 1.82 0.01 A 107 LYS HBx H 1 1.73 0 A 107 LYS HDx H 1 1.89 0 A 107 LYS HEx H 1 2.98 0 A 107 LYS HGx H 1 1.39 0 A 107 LYS CB C 13 33.72 0.03 A 107 LYS CD C 13 30.07 0 A 107 LYS CG C 13 24.21 0.01 A 107 LYS N N 15 122.86 0 A 108 PRO HA H 1 4.44 0.01 A 108 PRO HBy H 1 2.25 0 A 108 PRO HBx H 1 1.84 0.01 A 108 PRO HDy H 1 3.79 0 A 108 PRO HDx H 1 3.61 0.03 A 108 PRO CA C 13 62.75 0.03 A 108 PRO CB C 13 32.03 0.06 A 108 PRO CD C 13 50.43 0.02 A 109 ALA H H 1 8.42 0 A 109 ALA HA H 1 4.27 0 A 109 ALA HB% H 1 1.25 0 A 109 ALA CA C 13 51.96 0.01 A 109 ALA CB C 13 19.3 0.02 A 109 ALA N N 15 124.93 0.05 A 110 LEU H H 1 8.32 0.01 A 110 LEU HA H 1 4.35 0.01 A 110 LEU HBx H 1 1.57 0.01 A 110 LEU HDx% H 1 0.87 0 A 110 LEU HDy% H 1 0.85 0.02 A 110 LEU HG H 1 1.58 0 A 110 LEU CA C 13 54.74 0 A 110 LEU CB C 13 42.18 0.01 A 110 LEU CDy C 13 24.92 0.03 A 110 LEU CDx C 13 23.38 0.07 A 110 LEU CG C 13 26.93 0.03 A 110 LEU N N 15 121.82 0.05 A 111 SER H H 1 8.34 0.01 A 111 SER HA H 1 4.39 0.02 A 111 SER HBx H 1 3.83 0 A 111 SER CA C 13 58.13 0.01 A 111 SER CB C 13 63.74 0 A 111 SER N N 15 116.58 0 A 112 GLY H H 1 8.42 0 A 112 GLY HAy H 1 4.01 0 A 112 GLY HAx H 1 3.92 0 A 112 GLY CA C 13 45.07 0.02 A 112 GLY N N 15 111.09 0 A 113 ASN H H 1 8.01 0 A 113 ASN HA H 1 4.48 0.01 A 113 ASN HBy H 1 2.73 0.01 A 113 ASN HBx H 1 2.61 0.01 A 113 ASN CA C 13 54.35 0.04 A 113 ASN CB C 13 40.31 0.15 A 113 ASN N N 15 124 0.01 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-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 73 TRP O A 93 LEU N 1.0 . 2.7 2 2 A 73 TRP O A 93 LEU H 1.0 . 1.8 3 3 A 93 LEU O A 73 TRP N 1.0 . 2.7 4 4 A 93 LEU O A 73 TRP H 1.0 . 1.8 5 5 A 75 TYR O A 91 LEU N 1.0 . 2.7 6 6 A 75 TYR O A 91 LEU H 1.0 . 1.8 7 7 A 91 LEU O A 75 TYR N 1.0 . 2.7 8 8 A 91 LEU O A 75 TYR H 1.0 . 1.8 9 9 A 94 THR O A 103 ASN N 1.0 . 2.7 10 10 A 94 THR O A 103 ASN H 1.0 . 1.8 11 11 A 103 ASN O A 94 THR N 1.0 . 2.7 12 12 A 103 ASN O A 94 THR H 1.0 . 1.8 13 13 A 92 THR O A 105 ASP N 1.0 . 2.7 14 14 A 92 THR O A 105 ASP H 1.0 . 1.8 15 15 A 105 ASP O A 92 THR N 1.0 . 2.7 16 16 A 105 ASP O A 92 THR H 1.0 . 1.8 17 17 A 90 THR O A 107 LYS N 1.0 . 2.7 18 18 A 90 THR O A 107 LYS H 1.0 . 1.8 19 19 A 107 LYS O A 90 THR N 1.0 . 2.7 20 20 A 107 LYS O A 90 THR H 1.0 . 1.8 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 17 GLY C A 18 SER N A 18 SER CA A 18 SER C 1.0 -160.87 -69.51 PHI 2 2 A 18 SER N A 18 SER CA A 18 SER C A 19 HIS N 1.0 129.82 192.22 PSI 3 3 A 27 VAL C A 28 TYR N A 28 TYR CA A 28 TYR C 1.0 -132.58 -60.46 PHI 4 4 A 28 TYR N A 28 TYR CA A 28 TYR C A 29 ARG N 1.0 103.27 145.47 PSI 5 5 A 28 TYR C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -126.50 -43.70 PHI 6 6 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 PRO N 1.0 99.73 180.89 PSI 7 7 A 37 TYR C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -161.10 -38.50 PHI 8 8 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 THR N 1.0 117.70 182.94 PSI 9 9 A 38 LEU C A 39 THR N A 39 THR CA A 39 THR C 1.0 -129.84 -58.52 PHI 10 10 A 39 THR N A 39 THR CA A 39 THR C A 40 ALA N 1.0 159.56 180.40 PSI 11 11 A 39 THR C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -81.46 -42.38 PHI 12 12 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 ASN N 1.0 -52.82 -13.90 PSI 13 13 A 40 ALA C A 41 ASN N A 41 ASN CA A 41 ASN C 1.0 -76.26 -53.22 PHI 14 14 A 41 ASN N A 41 ASN CA A 41 ASN C A 42 ASP N 1.0 -49.27 -32.35 PSI 15 15 A 41 ASN C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 -73.69 -53.65 PHI 16 16 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 VAL N 1.0 -57.00 -29.72 PSI 17 17 A 43 VAL C A 44 SER N A 44 SER CA A 44 SER C 1.0 -86.87 -51.55 PHI 18 18 A 44 SER N A 44 SER CA A 44 SER C A 45 LYS N 1.0 -62.27 -8.79 PSI 19 19 A 44 SER C A 45 LYS N A 45 LYS CA A 45 LYS C 1.0 -128.28 -41.64 PHI 20 20 A 45 LYS N A 45 LYS CA A 45 LYS C A 46 ILE N 1.0 -52.86 8.10 PSI 21 21 A 46 ILE C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -153.46 -77.70 PHI 22 22 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 VAL N 1.0 118.38 189.14 PSI 23 23 A 48 VAL C A 49 GLY N A 49 GLY CA A 49 GLY C 1.0 86.26 105.30 PHI 24 24 A 49 GLY N A 49 GLY CA A 49 GLY C A 50 MET N 1.0 -26.19 -4.43 PSI 25 25 A 49 GLY C A 50 MET N A 50 MET CA A 50 MET C 1.0 -167.15 -27.03 PHI 26 26 A 50 MET N A 50 MET CA A 50 MET C A 51 THR N 1.0 133.13 177.49 PSI 27 27 A 50 MET C A 51 THR N A 51 THR CA A 51 THR C 1.0 -126.75 -62.07 PHI 28 28 A 51 THR N A 51 THR CA A 51 THR C A 52 GLN N 1.0 148.10 182.06 PSI 29 29 A 51 THR C A 52 GLN N A 52 GLN CA A 52 GLN C 1.0 -61.75 -55.59 PHI 30 30 A 52 GLN N A 52 GLN CA A 52 GLN C A 53 GLN N 1.0 -47.28 -23.12 PSI 31 31 A 52 GLN C A 53 GLN N A 53 GLN CA A 53 GLN C 1.0 -72.28 -56.24 PHI 32 32 A 53 GLN N A 53 GLN CA A 53 GLN C A 54 GLN N 1.0 -52.18 -27.50 PSI 33 33 A 53 GLN C A 54 GLN N A 54 GLN CA A 54 GLN C 1.0 -77.00 -54.56 PHI 34 34 A 54 GLN N A 54 GLN CA A 54 GLN C A 55 VAL N 1.0 -55.68 -24.56 PSI 35 35 A 54 GLN C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -74.43 -55.75 PHI 36 36 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 ALA N 1.0 -55.71 -33.15 PSI 37 37 A 55 VAL C A 56 ALA N A 56 ALA CA A 56 ALA C 1.0 -75.60 -51.36 PHI 38 38 A 56 ALA N A 56 ALA CA A 56 ALA C A 57 TYR N 1.0 -51.67 -25.35 PSI 39 39 A 56 ALA C A 57 TYR N A 57 TYR CA A 57 TYR C 1.0 -71.89 -52.69 PHI 40 40 A 57 TYR N A 57 TYR CA A 57 TYR C A 58 ALA N 1.0 -55.09 -23.65 PSI 41 41 A 57 TYR C A 58 ALA N A 58 ALA CA A 58 ALA C 1.0 -89.71 -49.23 PHI 42 42 A 58 ALA N A 58 ALA CA A 58 ALA C A 59 LEU N 1.0 -55.50 -6.58 PSI 43 43 A 58 ALA C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -122.52 -59.12 PHI 44 44 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 GLY N 1.0 -58.80 34.64 PSI 45 45 A 60 GLY C A 61 THR N A 61 THR CA A 61 THR C 1.0 -109.32 -56.80 PHI 46 46 A 61 THR N A 61 THR CA A 61 THR C A 62 PRO N 1.0 108.99 145.91 PSI 47 47 A 68 PHE C A 69 GLY N A 69 GLY CA A 69 GLY C 1.0 63.68 111.36 PHI 48 48 A 69 GLY N A 69 GLY CA A 69 GLY C A 70 THR N 1.0 -26.48 46.56 PSI 49 49 A 69 GLY C A 70 THR N A 70 THR CA A 70 THR C 1.0 -169.25 -81.37 PHI 50 50 A 70 THR N A 70 THR CA A 70 THR C A 71 ASN N 1.0 107.60 189.08 PSI 51 51 A 71 ASN C A 72 THR N A 72 THR CA A 72 THR C 1.0 -135.80 -98.00 PHI 52 52 A 72 THR N A 72 THR CA A 72 THR C A 73 TRP N 1.0 114.96 154.52 PSI 53 53 A 72 THR C A 73 TRP N A 73 TRP CA A 73 TRP C 1.0 -151.83 -104.23 PHI 54 54 A 73 TRP N A 73 TRP CA A 73 TRP C A 74 PHE N 1.0 123.98 172.54 PSI 55 55 A 73 TRP C A 74 PHE N A 74 PHE CA A 74 PHE C 1.0 -154.54 -89.14 PHI 56 56 A 74 PHE N A 74 PHE CA A 74 PHE C A 75 TYR N 1.0 123.00 162.52 PSI 57 57 A 74 PHE C A 75 TYR N A 75 TYR CA A 75 TYR C 1.0 -150.67 -95.95 PHI 58 58 A 75 TYR N A 75 TYR CA A 75 TYR C A 76 VAL N 1.0 115.43 172.47 PSI 59 59 A 75 TYR C A 76 VAL N A 76 VAL CA A 76 VAL C 1.0 -145.20 -67.44 PHI 60 60 A 76 VAL N A 76 VAL CA A 76 VAL C A 77 PHE N 1.0 116.70 164.86 PSI 61 61 A 76 VAL C A 77 PHE N A 77 PHE CA A 77 PHE C 1.0 -147.15 -98.91 PHI 62 62 A 77 PHE N A 77 PHE CA A 77 PHE C A 78 ARG N 1.0 113.12 172.96 PSI 63 63 A 77 PHE C A 78 ARG N A 78 ARG CA A 78 ARG C 1.0 -178.03 -48.11 PHI 64 64 A 78 ARG N A 78 ARG CA A 78 ARG C A 79 GLN N 1.0 113.37 169.85 PSI 65 65 A 88 GLN C A 89 GLN N A 89 GLN CA A 89 GLN C 1.0 -143.55 -70.55 PHI 66 66 A 89 GLN N A 89 GLN CA A 89 GLN C A 90 THR N 1.0 120.46 173.46 PSI 67 67 A 89 GLN C A 90 THR N A 90 THR CA A 90 THR C 1.0 -144.39 -81.87 PHI 68 68 A 90 THR N A 90 THR CA A 90 THR C A 91 LEU N 1.0 110.00 144.56 PSI 69 69 A 90 THR C A 91 LEU N A 91 LEU CA A 91 LEU C 1.0 -144.61 -106.97 PHI 70 70 A 91 LEU N A 91 LEU CA A 91 LEU C A 92 THR N 1.0 114.90 146.46 PSI 71 71 A 91 LEU C A 92 THR N A 92 THR CA A 92 THR C 1.0 -139.88 -92.96 PHI 72 72 A 92 THR N A 92 THR CA A 92 THR C A 93 LEU N 1.0 99.95 145.91 PSI 73 73 A 92 THR C A 93 LEU N A 93 LEU CA A 93 LEU C 1.0 -147.18 -76.50 PHI 74 74 A 93 LEU N A 93 LEU CA A 93 LEU C A 94 THR N 1.0 103.04 153.08 PSI 75 75 A 93 LEU C A 94 THR N A 94 THR CA A 94 THR C 1.0 -153.81 -82.53 PHI 76 76 A 94 THR N A 94 THR CA A 94 THR C A 95 PHE N 1.0 99.05 166.33 PSI 77 77 A 94 THR C A 95 PHE N A 95 PHE CA A 95 PHE C 1.0 -142.57 -86.81 PHI 78 78 A 95 PHE N A 95 PHE CA A 95 PHE C A 96 ASN N 1.0 103.45 156.77 PSI 79 79 A 95 PHE C A 96 ASN N A 96 ASN CA A 96 ASN C 1.0 -109.54 -56.34 PHI 80 80 A 96 ASN N A 96 ASN CA A 96 ASN C A 97 SER N 1.0 133.14 196.90 PSI 81 81 A 96 ASN C A 97 SER N A 97 SER CA A 97 SER C 1.0 -67.35 -48.19 PHI 82 82 A 97 SER N A 97 SER CA A 97 SER C A 98 SER N 1.0 -46.45 -8.61 PSI 83 83 A 97 SER C A 98 SER N A 98 SER CA A 98 SER C 1.0 -113.88 -68.00 PHI 84 84 A 98 SER N A 98 SER CA A 98 SER C A 99 GLY N 1.0 -30.92 19.80 PSI 85 85 A 99 GLY C A 100 VAL N A 100 VAL CA A 100 VAL C 1.0 -160.37 -55.37 PHI 86 86 A 100 VAL N A 100 VAL CA A 100 VAL C A 101 LEU N 1.0 127.17 152.25 PSI 87 87 A 100 VAL C A 101 LEU N A 101 LEU CA A 101 LEU C 1.0 -121.14 -48.42 PHI 88 88 A 101 LEU N A 101 LEU CA A 101 LEU C A 102 THR N 1.0 111.54 169.70 PSI 89 89 A 102 THR C A 103 ASN N A 103 ASN CA A 103 ASN C 1.0 -188.33 -96.61 PHI 90 90 A 103 ASN N A 103 ASN CA A 103 ASN C A 104 ILE N 1.0 117.50 164.34 PSI 91 91 A 103 ASN C A 104 ILE N A 104 ILE CA A 104 ILE C 1.0 -160.16 -70.52 PHI 92 92 A 104 ILE N A 104 ILE CA A 104 ILE C A 105 ASP N 1.0 108.50 147.58 PSI 93 93 A 104 ILE C A 105 ASP N A 105 ASP CA A 105 ASP C 1.0 -144.26 -80.14 PHI 94 94 A 105 ASP N A 105 ASP CA A 105 ASP C A 106 ASN N 1.0 110.36 144.48 PSI 95 95 A 105 ASP C A 106 ASN N A 106 ASN CA A 106 ASN C 1.0 -125.41 -78.37 PHI 96 96 A 106 ASN N A 106 ASN CA A 106 ASN C A 107 LYS N 1.0 93.11 157.27 PSI 97 97 A 106 ASN C A 107 LYS N A 107 LYS CA A 107 LYS C 1.0 -167.43 -60.27 PHI 98 98 A 107 LYS N A 107 LYS CA A 107 LYS C A 108 PRO N 1.0 80.91 184.03 PSI stop_ save_ save_C-NOESY _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode C-NOESY _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 3 13C 23.77 stop_ save_ save_N-NOESY _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode N-NOESY _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 3 15N 25.6 stop_ save_