data_nef_c15689_2k25 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 1 GLY start . false 2 A 2 SER middle . . 3 A 3 LEU middle . . 4 A 4 VAL middle . . 5 A 5 PRO middle . false 6 A 6 ARG middle . . 7 A 7 GLY middle . false 8 A 8 SER middle . . 9 A 9 MET middle . . 10 A 10 GLN middle . . 11 A 11 ILE middle . . 12 A 12 PHE middle . . 13 A 13 VAL middle . . 14 A 14 LYS middle . . 15 A 15 THR middle . . 16 A 16 LEU middle . . 17 A 17 THR middle . . 18 A 18 GLY middle . false 19 A 19 LYS middle . . 20 A 20 THR middle . . 21 A 21 ILE middle . . 22 A 22 THR middle . . 23 A 23 LEU middle . . 24 A 24 GLU middle . . 25 A 25 VAL middle . . 26 A 26 GLU middle . . 27 A 27 PRO middle . false 28 A 28 SER middle . . 29 A 29 ASP middle . . 30 A 30 THR middle . . 31 A 31 ILE middle . . 32 A 32 GLU middle . . 33 A 33 ASN middle . . 34 A 34 VAL middle . . 35 A 35 LYS middle . . 36 A 36 ALA middle . . 37 A 37 LYS middle . . 38 A 38 ILE middle . . 39 A 39 GLN middle . . 40 A 40 ASP middle . . 41 A 41 LYS middle . . 42 A 42 GLU middle . . 43 A 43 GLY middle . false 44 A 44 ILE middle . . 45 A 45 PRO middle . false 46 A 46 PRO middle . false 47 A 47 ASP middle . . 48 A 48 GLN middle . . 49 A 49 GLN middle . . 50 A 50 ARG middle . . 51 A 51 LEU middle . . 52 A 52 ILE middle . . 53 A 53 PHE middle . . 54 A 54 ALA middle . . 55 A 55 GLY middle . false 56 A 56 LYS middle . . 57 A 57 GLN middle . . 58 A 58 LEU middle . . 59 A 59 GLU middle . . 60 A 60 ASP middle . . 61 A 61 GLY middle . false 62 A 62 ARG middle . . 63 A 63 THR middle . . 64 A 64 LEU middle . . 65 A 65 SER middle . . 66 A 66 GLU middle . . 67 A 67 TYR middle . . 68 A 68 ASN middle . . 69 A 69 ILE middle . . 70 A 70 GLN middle . . 71 A 71 LYS middle . . 72 A 72 GLU middle . . 73 A 73 SER middle . . 74 A 74 THR middle . . 75 A 75 LEU middle . . 76 A 76 HIS middle . . 77 A 77 LEU middle . . 78 A 78 VAL middle . . 79 A 79 LEU middle . . 80 A 80 ARG middle . . 81 A 81 LEU middle . . 82 A 82 ARG middle . . 83 A 83 GLY middle . false 84 A 84 TYR middle . . 85 A 85 ALA middle . . 86 A 86 ASP middle . . 87 A 87 LEU middle . . 88 A 88 ARG middle . . 89 A 89 GLU middle . . 90 A 90 ASP middle . . 91 A 91 PRO middle . false 92 A 92 ASP middle . . 93 A 93 ARG middle . . 94 A 94 GLN middle . . 95 A 95 ASP middle . . 96 A 96 HIS middle . . 97 A 97 HIS middle . . 98 A 98 PRO middle . false 99 A 99 GLY middle . false 100 A 100 SER middle . . 101 A 101 GLY middle . false 102 A 102 ALA middle . . 103 A 103 GLN 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 GLY HAx H 1 3.920 0.020 A 1 GLY HAy H 1 3.920 0.020 A 1 GLY CA C 13 45.200 0.200 A 2 SER H H 1 8.160 0.020 A 2 SER HA H 1 4.370 0.020 A 2 SER HBx H 1 3.760 0.020 A 2 SER HBy H 1 3.762 0.020 A 2 SER HG H 1 5.044 0.020 A 2 SER CA C 13 58.300 0.200 A 2 SER CB C 13 63.900 0.200 A 2 SER N N 15 115.600 0.200 A 3 LEU H H 1 8.250 0.020 A 3 LEU HA H 1 4.280 0.020 A 3 LEU HBy H 1 3.760 0.020 A 3 LEU HBx H 1 1.500 0.020 A 3 LEU HG H 1 1.500 0.020 A 3 LEU CA C 13 55.200 0.200 A 3 LEU CB C 13 42.100 0.200 A 3 LEU N N 15 124.100 0.200 A 4 VAL H H 1 7.950 0.020 A 4 VAL HA H 1 4.680 0.020 A 4 VAL HB H 1 1.920 0.020 A 4 VAL HGy% H 1 1.500 0.020 A 4 VAL CA C 13 59.800 0.200 A 4 VAL CB C 13 32.500 0.200 A 4 VAL N N 15 122.600 0.200 A 5 PRO CA C 13 63.100 0.200 A 5 PRO CB C 13 32.000 0.200 A 5 PRO CG C 13 32.050 0.200 A 6 ARG H H 1 8.360 0.020 A 6 ARG HA H 1 4.250 0.020 A 6 ARG HBy H 1 1.760 0.020 A 6 ARG HBx H 1 1.650 0.020 A 6 ARG CA C 13 56.000 0.200 A 6 ARG CB C 13 30.900 0.200 A 6 ARG N N 15 121.800 0.200 A 7 GLY H H 1 8.460 0.020 A 7 GLY HAy H 1 3.940 0.020 A 7 GLY HAx H 1 3.760 0.020 A 7 GLY CA C 13 45.000 0.200 A 7 GLY N N 15 110.700 0.200 A 8 SER H H 1 7.990 0.020 A 8 SER HA H 1 4.450 0.020 A 8 SER HBx H 1 3.745 0.020 A 8 SER HBy H 1 3.745 0.020 A 8 SER CA C 13 58.900 0.200 A 8 SER CB C 13 64.200 0.200 A 8 SER N N 15 115.500 0.200 A 9 MET H H 1 9.040 0.020 A 9 MET HA H 1 4.610 0.020 A 9 MET HBx H 1 1.840 0.020 A 9 MET HBy H 1 1.979 0.020 A 9 MET HE% H 1 1.850 0.020 A 9 MET HGy H 1 2.263 0.020 A 9 MET HGx H 1 2.238 0.020 A 9 MET CA C 13 54.400 0.200 A 9 MET CB C 13 35.400 0.200 A 9 MET CE C 13 27.010 0.200 A 9 MET CG C 13 31.631 0.200 A 9 MET N N 15 120.500 0.200 A 10 GLN H H 1 8.270 0.020 A 10 GLN HA H 1 5.270 0.020 A 10 GLN HBx H 1 1.840 0.020 A 10 GLN HBy H 1 2.113 0.020 A 10 GLN HGy H 1 1.715 0.020 A 10 GLN HGx H 1 1.512 0.020 A 10 GLN CA C 13 54.200 0.200 A 10 GLN CB C 13 30.500 0.200 A 10 GLN CG C 13 34.363 0.200 A 10 GLN N N 15 121.000 0.200 A 11 ILE H H 1 8.270 0.020 A 11 ILE HA H 1 4.100 0.020 A 11 ILE HB H 1 1.720 0.020 A 11 ILE HD1% H 1 4.104 0.020 A 11 ILE HG1y H 1 1.669 0.020 A 11 ILE HG1x H 1 0.535 0.020 A 11 ILE HG2% H 1 0.504 0.020 A 11 ILE CA C 13 59.400 0.200 A 11 ILE CB C 13 41.800 0.200 A 11 ILE CD1 C 13 14.132 0.200 A 11 ILE CG1 C 13 17.817 0.200 A 11 ILE CG2 C 13 17.817 0.200 A 11 ILE N N 15 114.600 0.200 A 12 PHE H H 1 8.520 0.020 A 12 PHE HA H 1 5.540 0.020 A 12 PHE HBy H 1 2.950 0.020 A 12 PHE HBx H 1 2.789 0.020 A 12 PHE CA C 13 55.000 0.200 A 12 PHE CB C 13 41.200 0.200 A 12 PHE N N 15 118.600 0.200 A 13 VAL H H 1 9.230 0.020 A 13 VAL HA H 1 4.740 0.020 A 13 VAL HB H 1 1.810 0.020 A 13 VAL HGx% H 1 0.639 0.020 A 13 VAL HGy% H 1 0.595 0.020 A 13 VAL CA C 13 60.300 0.200 A 13 VAL CB C 13 34.100 0.200 A 13 VAL CGy C 13 22.416 0.200 A 13 VAL CGx C 13 20.773 0.200 A 13 VAL N N 15 121.400 0.200 A 14 LYS H H 1 8.910 0.020 A 14 LYS HA H 1 5.190 0.020 A 14 LYS HBx H 1 1.810 0.020 A 14 LYS HDy H 1 1.609 0.020 A 14 LYS HDx H 1 1.377 0.020 A 14 LYS HEx H 1 2.798 0.020 A 14 LYS HEy H 1 2.798 0.020 A 14 LYS HGy H 1 1.322 0.020 A 14 LYS HGx H 1 1.182 0.020 A 14 LYS CA C 13 54.600 0.200 A 14 LYS CB C 13 34.300 0.200 A 14 LYS CD C 13 29.123 0.200 A 14 LYS CG C 13 24.949 0.200 A 14 LYS N N 15 128.000 0.200 A 15 THR H H 1 8.650 0.020 A 15 THR HA H 1 4.870 0.020 A 15 THR HB H 1 4.700 0.020 A 15 THR HG2% H 1 1.086 0.020 A 15 THR CA C 13 60.300 0.200 A 15 THR CB C 13 70.600 0.200 A 15 THR CG2 C 13 21.486 0.200 A 15 THR N N 15 115.300 0.200 A 16 LEU H H 1 9.070 0.020 A 16 LEU HA H 1 4.210 0.020 A 16 LEU HBy H 1 1.843 0.020 A 16 LEU HBx H 1 1.789 0.020 A 16 LEU HDx% H 1 0.875 0.020 A 16 LEU HDy% H 1 0.945 0.020 A 16 LEU HG H 1 1.665 0.020 A 16 LEU CA C 13 57.400 0.200 A 16 LEU CB C 13 41.800 0.200 A 16 LEU CDy C 13 25.241 0.200 A 16 LEU CDx C 13 23.640 0.200 A 16 LEU CG C 13 27.315 0.200 A 16 LEU N N 15 121.400 0.200 A 17 THR H H 1 7.560 0.020 A 17 THR HA H 1 4.330 0.020 A 17 THR HB H 1 4.480 0.020 A 17 THR HG2% H 1 1.159 0.020 A 17 THR CA C 13 61.400 0.200 A 17 THR CB C 13 68.900 0.200 A 17 THR CG2 C 13 21.750 0.200 A 17 THR N N 15 105.900 0.200 A 18 GLY H H 1 7.750 0.020 A 18 GLY HAy H 1 4.250 0.020 A 18 GLY HAx H 1 3.520 0.020 A 18 GLY CA C 13 45.300 0.200 A 18 GLY N N 15 109.300 0.200 A 19 LYS H H 1 7.210 0.020 A 19 LYS HA H 1 4.260 0.020 A 19 LYS HBy H 1 1.710 0.020 A 19 LYS HBx H 1 1.600 0.020 A 19 LYS HGy H 1 1.319 0.020 A 19 LYS HGx H 1 1.152 0.020 A 19 LYS CA C 13 56.300 0.200 A 19 LYS CB C 13 33.200 0.200 A 19 LYS CD C 13 29.320 0.200 A 19 LYS CG C 13 24.998 0.200 A 19 LYS N N 15 122.000 0.200 A 20 THR H H 1 8.570 0.020 A 20 THR HA H 1 4.950 0.020 A 20 THR HB H 1 3.830 0.020 A 20 THR HG2% H 1 0.968 0.020 A 20 THR CA C 13 62.200 0.200 A 20 THR CB C 13 69.700 0.200 A 20 THR CG2 C 13 21.839 0.200 A 20 THR N N 15 120.700 0.200 A 21 ILE H H 1 9.510 0.020 A 21 ILE HA H 1 4.390 0.020 A 21 ILE HB H 1 1.770 0.020 A 21 ILE HD1% H 1 0.628 0.020 A 21 ILE HG1y H 1 1.361 0.020 A 21 ILE HG1x H 1 0.991 0.020 A 21 ILE HG2% H 1 0.781 0.020 A 21 ILE CA C 13 60.000 0.200 A 21 ILE CB C 13 40.700 0.200 A 21 ILE CD1 C 13 14.385 0.200 A 21 ILE CG1 C 13 26.996 0.200 A 21 ILE CG2 C 13 17.666 0.200 A 21 ILE N N 15 128.200 0.200 A 22 THR H H 1 8.700 0.020 A 22 THR HA H 1 4.860 0.020 A 22 THR HB H 1 3.930 0.020 A 22 THR HG2% H 1 1.017 0.020 A 22 THR CA C 13 62.100 0.200 A 22 THR CB C 13 69.500 0.200 A 22 THR CG2 C 13 21.660 0.200 A 22 THR N N 15 122.300 0.200 A 23 LEU H H 1 8.720 0.020 A 23 LEU HA H 1 4.690 0.020 A 23 LEU HBx H 1 1.290 0.020 A 23 LEU HBy H 1 1.332 0.020 A 23 LEU HDx% H 1 0.678 0.020 A 23 LEU HDy% H 1 0.623 0.020 A 23 LEU HG H 1 1.119 0.020 A 23 LEU CA C 13 52.700 0.200 A 23 LEU CB C 13 46.600 0.200 A 23 LEU CDx C 13 24.065 0.200 A 23 LEU CDy C 13 24.065 0.200 A 23 LEU CG C 13 26.970 0.200 A 23 LEU N N 15 125.400 0.200 A 24 GLU H H 1 8.080 0.020 A 24 GLU HA H 1 4.800 0.020 A 24 GLU HBx H 1 1.800 0.020 A 24 GLU HBy H 1 2.057 0.020 A 24 GLU CA C 13 55.400 0.200 A 24 GLU CB C 13 30.100 0.200 A 24 GLU CG C 13 36.477 0.200 A 24 GLU N N 15 121.800 0.200 A 25 VAL H H 1 8.800 0.020 A 25 VAL HA H 1 4.640 0.020 A 25 VAL HB H 1 2.290 0.020 A 25 VAL HGx% H 1 0.599 0.020 A 25 VAL HGy% H 1 0.359 0.020 A 25 VAL CA C 13 58.600 0.200 A 25 VAL CB C 13 36.300 0.200 A 25 VAL CGy C 13 22.075 0.200 A 25 VAL CGx C 13 19.315 0.200 A 25 VAL N N 15 116.700 0.200 A 26 GLU H H 1 8.500 0.020 A 26 GLU HA H 1 4.900 0.020 A 26 GLU HBy H 1 2.290 0.020 A 26 GLU HBx H 1 2.020 0.020 A 26 GLU CA C 13 53.000 0.200 A 26 GLU CB C 13 31.200 0.200 A 26 GLU N N 15 117.900 0.200 A 27 PRO HA H 1 4.040 0.020 A 27 PRO HBy H 1 2.331 0.020 A 27 PRO HBx H 1 2.065 0.020 A 27 PRO HDx H 1 4.041 0.020 A 27 PRO HDy H 1 4.041 0.020 A 27 PRO HGy H 1 1.984 0.020 A 27 PRO HGx H 1 1.901 0.020 A 27 PRO CA C 13 65.400 0.200 A 27 PRO CB C 13 31.700 0.200 A 27 PRO CD C 13 58.259 0.200 A 27 PRO CG C 13 28.000 0.200 A 28 SER H H 1 7.010 0.020 A 28 SER HA H 1 4.280 0.020 A 28 SER HBx H 1 3.690 0.020 A 28 SER HBy H 1 4.054 0.020 A 28 SER CA C 13 57.400 0.200 A 28 SER CB C 13 63.400 0.200 A 28 SER N N 15 103.800 0.200 A 29 ASP H H 1 7.960 0.020 A 29 ASP HA H 1 4.600 0.020 A 29 ASP HBy H 1 2.890 0.020 A 29 ASP HBx H 1 2.420 0.020 A 29 ASP CA C 13 55.900 0.200 A 29 ASP CB C 13 41.000 0.200 A 29 ASP N N 15 123.700 0.200 A 30 THR H H 1 7.780 0.020 A 30 THR HA H 1 4.850 0.020 A 30 THR HB H 1 4.104 0.020 A 30 THR HG2% H 1 1.132 0.020 A 30 THR CA C 13 59.400 0.200 A 30 THR CB C 13 71.100 0.200 A 30 THR CG2 C 13 22.087 0.200 A 30 THR N N 15 108.800 0.200 A 31 ILE H H 1 8.320 0.020 A 31 ILE HA H 1 3.580 0.020 A 31 ILE HB H 1 2.480 0.020 A 31 ILE HD1% H 1 0.481 0.020 A 31 ILE HG1y H 1 1.878 0.020 A 31 ILE HG1x H 1 1.222 0.020 A 31 ILE HG2% H 1 0.700 0.020 A 31 ILE CA C 13 62.200 0.200 A 31 ILE CB C 13 34.300 0.200 A 31 ILE CD1 C 13 9.419 0.200 A 31 ILE CG1 C 13 27.578 0.200 A 31 ILE CG2 C 13 17.931 0.200 A 31 ILE N N 15 121.300 0.200 A 32 GLU H H 1 9.850 0.020 A 32 GLU HA H 1 3.780 0.020 A 32 GLU HBy H 1 2.480 0.020 A 32 GLU HBx H 1 1.930 0.020 A 32 GLU HGx H 1 2.215 0.020 A 32 GLU HGy H 1 2.215 0.020 A 32 GLU CA C 13 60.500 0.200 A 32 GLU CB C 13 28.800 0.200 A 32 GLU CG C 13 36.050 0.200 A 32 GLU N N 15 121.600 0.200 A 33 ASN H H 1 7.810 0.020 A 33 ASN HA H 1 4.440 0.020 A 33 ASN HBy H 1 2.750 0.020 A 33 ASN HBx H 1 2.639 0.020 A 33 ASN CA C 13 55.800 0.200 A 33 ASN CB C 13 38.100 0.200 A 33 ASN N N 15 121.000 0.200 A 34 VAL H H 1 8.000 0.020 A 34 VAL HA H 1 3.300 0.020 A 34 VAL HB H 1 2.260 0.020 A 34 VAL HGx% H 1 0.891 0.020 A 34 VAL HGy% H 1 0.612 0.020 A 34 VAL CA C 13 67.600 0.200 A 34 VAL CB C 13 30.700 0.200 A 34 VAL CGx C 13 21.582 0.200 A 34 VAL CGy C 13 23.690 0.200 A 34 VAL N N 15 122.200 0.200 A 35 LYS H H 1 8.490 0.020 A 35 LYS HA H 1 4.500 0.020 A 35 LYS HBx H 1 1.920 0.020 A 35 LYS HBy H 1 1.920 0.020 A 35 LYS HGx H 1 1.349 0.020 A 35 LYS HGy H 1 1.349 0.020 A 35 LYS CA C 13 59.300 0.200 A 35 LYS CB C 13 33.500 0.200 A 35 LYS N N 15 119.200 0.200 A 36 ALA H H 1 7.880 0.020 A 36 ALA HA H 1 4.060 0.020 A 36 ALA HB% H 1 1.350 0.020 A 36 ALA CA C 13 55.300 0.200 A 36 ALA CB C 13 17.600 0.200 A 36 ALA N N 15 123.300 0.200 A 37 LYS H H 1 7.790 0.020 A 37 LYS HA H 1 4.110 0.020 A 37 LYS HBy H 1 2.054 0.020 A 37 LYS HBx H 1 1.937 0.020 A 37 LYS HDx H 1 1.937 0.020 A 37 LYS HDy H 1 1.937 0.020 A 37 LYS HEx H 1 2.905 0.020 A 37 LYS HEy H 1 2.905 0.020 A 37 LYS HGy H 1 1.839 0.020 A 37 LYS HGx H 1 1.748 0.020 A 37 LYS CA C 13 59.700 0.200 A 37 LYS CB C 13 33.100 0.200 A 37 LYS CD C 13 31.631 0.200 A 37 LYS CE C 13 35.447 0.200 A 37 LYS CG C 13 30.508 0.200 A 37 LYS N N 15 120.400 0.200 A 38 ILE H H 1 8.240 0.020 A 38 ILE HA H 1 3.410 0.020 A 38 ILE HB H 1 1.860 0.020 A 38 ILE HD1% H 1 0.605 0.020 A 38 ILE HG1y H 1 1.923 0.020 A 38 ILE HG1x H 1 0.800 0.020 A 38 ILE HG2% H 1 0.800 0.020 A 38 ILE CA C 13 66.200 0.200 A 38 ILE CB C 13 36.800 0.200 A 38 ILE CD1 C 13 15.100 0.200 A 38 ILE CG1 C 13 31.118 0.200 A 38 ILE CG2 C 13 17.043 0.200 A 38 ILE N N 15 121.400 0.200 A 39 GLN H H 1 8.460 0.020 A 39 GLN HA H 1 3.730 0.020 A 39 GLN HBx H 1 1.860 0.020 A 39 GLN HBy H 1 2.180 0.020 A 39 GLN HGx H 1 2.392 0.020 A 39 GLN HGy H 1 2.392 0.020 A 39 GLN CA C 13 60.000 0.200 A 39 GLN CB C 13 27.600 0.200 A 39 GLN CG C 13 33.777 0.200 A 39 GLN N N 15 123.500 0.200 A 40 ASP H H 1 7.970 0.020 A 40 ASP HA H 1 4.240 0.020 A 40 ASP HBy H 1 2.750 0.020 A 40 ASP HBx H 1 2.657 0.020 A 40 ASP CA C 13 57.400 0.200 A 40 ASP CB C 13 41.000 0.200 A 40 ASP N N 15 119.900 0.200 A 41 LYS H H 1 7.420 0.020 A 41 LYS HA H 1 4.200 0.020 A 41 LYS HBx H 1 1.750 0.020 A 41 LYS HBy H 1 1.754 0.020 A 41 LYS HDx H 1 1.916 0.020 A 41 LYS HDy H 1 1.916 0.020 A 41 LYS HEy H 1 3.073 0.020 A 41 LYS HEx H 1 3.020 0.020 A 41 LYS HGx H 1 1.511 0.020 A 41 LYS HGy H 1 1.511 0.020 A 41 LYS CA C 13 58.200 0.200 A 41 LYS CB C 13 33.900 0.200 A 41 LYS CD C 13 28.784 0.200 A 41 LYS CG C 13 25.231 0.200 A 41 LYS N N 15 115.700 0.200 A 42 GLU H H 1 8.650 0.020 A 42 GLU HA H 1 4.470 0.020 A 42 GLU HBx H 1 1.920 0.020 A 42 GLU HBy H 1 2.059 0.020 A 42 GLU HGx H 1 2.168 0.020 A 42 GLU HGy H 1 2.168 0.020 A 42 GLU CA C 13 55.300 0.200 A 42 GLU CB C 13 33.200 0.200 A 42 GLU CG C 13 36.444 0.200 A 42 GLU N N 15 114.200 0.200 A 43 GLY H H 1 8.400 0.020 A 43 GLY HAy H 1 4.040 0.020 A 43 GLY HAx H 1 3.820 0.020 A 43 GLY CA C 13 45.900 0.200 A 43 GLY N N 15 109.000 0.200 A 44 ILE H H 1 6.080 0.020 A 44 ILE HA H 1 4.290 0.020 A 44 ILE HB H 1 1.330 0.020 A 44 ILE CA C 13 57.700 0.200 A 44 ILE CB C 13 40.400 0.200 A 44 ILE N N 15 120.500 0.200 A 46 PRO HA H 1 4.030 0.020 A 46 PRO HBy H 1 2.143 0.020 A 46 PRO HBx H 1 2.082 0.020 A 46 PRO HGy H 1 1.944 0.020 A 46 PRO HGx H 1 1.546 0.020 A 46 PRO CA C 13 66.100 0.200 A 46 PRO CB C 13 32.600 0.200 A 46 PRO CD C 13 58.259 0.200 A 46 PRO CG C 13 27.546 0.200 A 47 ASP H H 1 8.470 0.020 A 47 ASP HA H 1 4.310 0.020 A 47 ASP HBy H 1 2.660 0.020 A 47 ASP HBx H 1 2.580 0.020 A 47 ASP CA C 13 55.700 0.200 A 47 ASP CB C 13 39.700 0.200 A 47 ASP N N 15 113.700 0.200 A 48 GLN H H 1 7.720 0.020 A 48 GLN HA H 1 4.340 0.020 A 48 GLN HBy H 1 2.320 0.020 A 48 GLN HBx H 1 2.292 0.020 A 48 GLN HGx H 1 1.716 0.020 A 48 GLN HGy H 1 1.716 0.020 A 48 GLN CA C 13 55.500 0.200 A 48 GLN CB C 13 29.900 0.200 A 48 GLN CG C 13 34.282 0.200 A 48 GLN N N 15 116.900 0.200 A 49 GLN H H 1 7.410 0.020 A 49 GLN HA H 1 4.110 0.020 A 49 GLN HBx H 1 1.830 0.020 A 49 GLN HBy H 1 1.834 0.020 A 49 GLN HGx H 1 2.217 0.020 A 49 GLN HGy H 1 2.217 0.020 A 49 GLN CA C 13 56.600 0.200 A 49 GLN CB C 13 31.300 0.200 A 49 GLN CG C 13 33.984 0.200 A 49 GLN N N 15 118.000 0.200 A 50 ARG H H 1 8.400 0.020 A 50 ARG HA H 1 4.380 0.020 A 50 ARG HBy H 1 1.830 0.020 A 50 ARG HBx H 1 1.619 0.020 A 50 ARG HGy H 1 1.542 0.020 A 50 ARG HGx H 1 1.400 0.020 A 50 ARG CA C 13 55.100 0.200 A 50 ARG CB C 13 31.600 0.200 A 50 ARG CG C 13 26.960 0.200 A 50 ARG N N 15 123.100 0.200 A 51 LEU H H 1 8.710 0.020 A 51 LEU HA H 1 5.300 0.020 A 51 LEU HBy H 1 1.620 0.020 A 51 LEU HBx H 1 1.458 0.020 A 51 LEU HDx% H 1 0.712 0.020 A 51 LEU HDy% H 1 0.675 0.020 A 51 LEU HG H 1 1.067 0.020 A 51 LEU CA C 13 52.900 0.200 A 51 LEU CB C 13 45.700 0.200 A 51 LEU CDx C 13 24.226 0.200 A 51 LEU CDy C 13 24.226 0.200 A 51 LEU CG C 13 26.591 0.200 A 51 LEU N N 15 124.400 0.200 A 52 ILE H H 1 9.060 0.020 A 52 ILE HA H 1 4.840 0.020 A 52 ILE HB H 1 1.650 0.020 A 52 ILE HD1% H 1 0.581 0.020 A 52 ILE HG1x H 1 1.251 0.020 A 52 ILE HG1y H 1 1.251 0.020 A 52 ILE HG2% H 1 0.954 0.020 A 52 ILE CA C 13 58.900 0.200 A 52 ILE CB C 13 41.200 0.200 A 52 ILE CD1 C 13 12.752 0.200 A 52 ILE CG1 C 13 27.831 0.200 A 52 ILE CG2 C 13 17.550 0.200 A 52 ILE N N 15 122.500 0.200 A 53 PHE H H 1 8.730 0.020 A 53 PHE HA H 1 5.100 0.020 A 53 PHE HBy H 1 2.930 0.020 A 53 PHE HBx H 1 2.709 0.020 A 53 PHE HEx H 1 7.408 0.020 A 53 PHE HEy H 1 7.408 0.020 A 53 PHE CA C 13 56.300 0.200 A 53 PHE CB C 13 43.500 0.200 A 53 PHE N N 15 124.800 0.200 A 54 ALA H H 1 8.940 0.020 A 54 ALA HA H 1 3.610 0.020 A 54 ALA HB% H 1 0.778 0.020 A 54 ALA CA C 13 52.500 0.200 A 54 ALA CB C 13 16.300 0.200 A 54 ALA N N 15 133.100 0.200 A 55 GLY H H 1 8.070 0.020 A 55 GLY HAy H 1 4.000 0.020 A 55 GLY HAx H 1 3.340 0.020 A 55 GLY CA C 13 45.200 0.200 A 55 GLY N N 15 102.500 0.200 A 56 LYS H H 1 7.860 0.020 A 56 LYS HA H 1 4.510 0.020 A 56 LYS HBx H 1 1.790 0.020 A 56 LYS HEx H 1 3.065 0.020 A 56 LYS HEy H 1 3.065 0.020 A 56 LYS HGx H 1 1.412 0.020 A 56 LYS HGy H 1 1.412 0.020 A 56 LYS CA C 13 54.500 0.200 A 56 LYS CB C 13 34.400 0.200 A 56 LYS CG C 13 24.361 0.200 A 56 LYS N N 15 121.800 0.200 A 57 GLN H H 1 8.600 0.020 A 57 GLN HA H 1 4.410 0.020 A 57 GLN HBy H 1 1.900 0.020 A 57 GLN HBx H 1 1.790 0.020 A 57 GLN HGx H 1 2.150 0.020 A 57 GLN HGy H 1 2.150 0.020 A 57 GLN CA C 13 55.900 0.200 A 57 GLN CB C 13 28.800 0.200 A 57 GLN CG C 13 34.551 0.200 A 57 GLN N N 15 123.200 0.200 A 58 LEU H H 1 8.480 0.020 A 58 LEU HA H 1 4.060 0.020 A 58 LEU HBx H 1 1.410 0.020 A 58 LEU HBy H 1 1.834 0.020 A 58 LEU HDx% H 1 0.432 0.020 A 58 LEU HDy% H 1 0.432 0.020 A 58 LEU HG H 1 0.974 0.020 A 58 LEU CA C 13 54.100 0.200 A 58 LEU CB C 13 41.500 0.200 A 58 LEU CDy C 13 25.956 0.200 A 58 LEU CDx C 13 19.444 0.200 A 58 LEU CG C 13 31.323 0.200 A 58 LEU N N 15 125.900 0.200 A 59 GLU H H 1 8.400 0.020 A 59 GLU HA H 1 4.400 0.020 A 59 GLU HBy H 1 2.140 0.020 A 59 GLU HBx H 1 1.908 0.020 A 59 GLU HGx H 1 2.325 0.020 A 59 GLU HGy H 1 2.325 0.020 A 59 GLU CA C 13 55.900 0.200 A 59 GLU CB C 13 31.900 0.200 A 59 GLU CG C 13 36.397 0.200 A 59 GLU N N 15 123.100 0.200 A 60 ASP H H 1 8.110 0.020 A 60 ASP HA H 1 4.270 0.020 A 60 ASP HBy H 1 2.520 0.020 A 60 ASP HBx H 1 2.430 0.020 A 60 ASP CA C 13 57.100 0.200 A 60 ASP CB C 13 40.800 0.200 A 60 ASP N N 15 120.300 0.200 A 61 GLY HAy H 1 4.000 0.020 A 61 GLY HAx H 1 3.830 0.020 A 61 GLY CA C 13 45.000 0.200 A 62 ARG H H 1 7.350 0.020 A 62 ARG HA H 1 4.640 0.020 A 62 ARG HBy H 1 2.020 0.020 A 62 ARG HBx H 1 1.500 0.020 A 62 ARG HGx H 1 1.622 0.020 A 62 ARG HGy H 1 1.622 0.020 A 62 ARG CA C 13 54.400 0.200 A 62 ARG CB C 13 32.600 0.200 A 62 ARG CG C 13 27.545 0.200 A 62 ARG N N 15 119.300 0.200 A 63 THR H H 1 8.460 0.020 A 63 THR HA H 1 5.060 0.020 A 63 THR HB H 1 4.460 0.020 A 63 THR HG2% H 1 1.073 0.020 A 63 THR CA C 13 59.700 0.200 A 63 THR CB C 13 72.000 0.200 A 63 THR CG2 C 13 22.261 0.200 A 63 THR N N 15 109.100 0.200 A 64 LEU H H 1 8.190 0.020 A 64 LEU HA H 1 3.920 0.020 A 64 LEU HBy H 1 1.970 0.020 A 64 LEU HBx H 1 1.699 0.020 A 64 LEU HDx% H 1 0.670 0.020 A 64 LEU HDy% H 1 0.532 0.020 A 64 LEU HG H 1 1.105 0.020 A 64 LEU CA C 13 58.400 0.200 A 64 LEU CB C 13 40.200 0.200 A 64 LEU CDx C 13 23.005 0.200 A 64 LEU CDy C 13 23.005 0.200 A 64 LEU CG C 13 26.599 0.200 A 64 LEU N N 15 118.100 0.200 A 65 SER H H 1 8.370 0.020 A 65 SER HA H 1 4.150 0.020 A 65 SER HBy H 1 3.750 0.020 A 65 SER HBx H 1 3.664 0.020 A 65 SER CA C 13 60.900 0.200 A 65 SER CB C 13 62.500 0.200 A 65 SER N N 15 112.200 0.200 A 66 GLU H H 1 7.780 0.020 A 66 GLU HA H 1 3.890 0.020 A 66 GLU HBy H 1 2.060 0.020 A 66 GLU HBx H 1 1.683 0.020 A 66 GLU HGx H 1 2.199 0.020 A 66 GLU HGy H 1 2.199 0.020 A 66 GLU CA C 13 59.200 0.200 A 66 GLU CB C 13 29.400 0.200 A 66 GLU CG C 13 38.039 0.200 A 66 GLU N N 15 123.600 0.200 A 67 TYR H H 1 7.290 0.020 A 67 TYR HA H 1 4.590 0.020 A 67 TYR HBx H 1 2.480 0.020 A 67 TYR HBy H 1 3.342 0.020 A 67 TYR HDx H 1 6.798 0.020 A 67 TYR HDy H 1 6.798 0.020 A 67 TYR CA C 13 58.400 0.200 A 67 TYR CB C 13 39.800 0.200 A 67 TYR N N 15 116.400 0.200 A 68 ASN H H 1 8.040 0.020 A 68 ASN HA H 1 4.240 0.020 A 68 ASN HBx H 1 2.730 0.020 A 68 ASN HBy H 1 2.732 0.020 A 68 ASN CA C 13 54.100 0.200 A 68 ASN CB C 13 37.200 0.200 A 68 ASN N N 15 115.600 0.200 A 69 ILE H H 1 7.200 0.020 A 69 ILE HA H 1 3.280 0.020 A 69 ILE HB H 1 1.300 0.020 A 69 ILE HD1% H 1 0.315 0.020 A 69 ILE HG1x H 1 1.296 0.020 A 69 ILE HG1y H 1 1.296 0.020 A 69 ILE HG2% H 1 0.982 0.020 A 69 ILE CA C 13 59.800 0.200 A 69 ILE CB C 13 36.600 0.200 A 69 ILE CD1 C 13 14.302 0.200 A 69 ILE CG1 C 13 28.112 0.200 A 69 ILE CG2 C 13 17.322 0.200 A 69 ILE N N 15 119.100 0.200 A 70 GLN H H 1 7.570 0.020 A 70 GLN HA H 1 4.410 0.020 A 70 GLN HBy H 1 2.160 0.020 A 70 GLN HBx H 1 1.777 0.020 A 70 GLN HGx H 1 2.235 0.020 A 70 GLN HGy H 1 2.235 0.020 A 70 GLN CA C 13 53.500 0.200 A 70 GLN CB C 13 31.500 0.200 A 70 GLN CG C 13 36.424 0.200 A 70 GLN N N 15 124.800 0.200 A 71 LYS H H 1 8.370 0.020 A 71 LYS HA H 1 3.870 0.020 A 71 LYS HBy H 1 1.945 0.020 A 71 LYS HBx H 1 1.790 0.020 A 71 LYS HDx H 1 1.790 0.020 A 71 LYS HDy H 1 1.790 0.020 A 71 LYS HEx H 1 2.940 0.020 A 71 LYS HEy H 1 2.940 0.020 A 71 LYS HGx H 1 1.423 0.020 A 71 LYS HGy H 1 1.423 0.020 A 71 LYS CA C 13 58.000 0.200 A 71 LYS CB C 13 32.500 0.200 A 71 LYS CD C 13 29.658 0.200 A 71 LYS CG C 13 24.277 0.200 A 71 LYS N N 15 120.200 0.200 A 72 GLU H H 1 9.230 0.020 A 72 GLU HA H 1 3.240 0.020 A 72 GLU HBx H 1 1.950 0.020 A 72 GLU HBy H 1 2.141 0.020 A 72 GLU HGx H 1 2.309 0.020 A 72 GLU HGy H 1 2.443 0.020 A 72 GLU CA C 13 58.300 0.200 A 72 GLU CB C 13 26.000 0.200 A 72 GLU CG C 13 37.366 0.200 A 72 GLU N N 15 115.100 0.200 A 73 SER H H 1 7.690 0.020 A 73 SER HA H 1 4.520 0.020 A 73 SER HBy H 1 3.810 0.020 A 73 SER HBx H 1 3.577 0.020 A 73 SER CA C 13 61.100 0.200 A 73 SER CB C 13 64.800 0.200 A 73 SER N N 15 115.300 0.200 A 74 THR H H 1 8.620 0.020 A 74 THR HA H 1 5.200 0.020 A 74 THR HB H 1 3.960 0.020 A 74 THR HG2% H 1 0.840 0.020 A 74 THR CA C 13 62.400 0.200 A 74 THR CB C 13 70.200 0.200 A 74 THR CG2 C 13 21.406 0.200 A 74 THR N N 15 117.500 0.200 A 75 LEU H H 1 9.350 0.020 A 75 LEU HA H 1 4.990 0.020 A 75 LEU HBy H 1 3.960 0.020 A 75 LEU HBx H 1 1.530 0.020 A 75 LEU HDx% H 1 0.597 0.020 A 75 LEU HDy% H 1 0.559 0.020 A 75 LEU HG H 1 1.671 0.020 A 75 LEU CA C 13 53.800 0.200 A 75 LEU CB C 13 44.400 0.200 A 75 LEU CDx C 13 24.908 0.200 A 75 LEU CDy C 13 25.255 0.200 A 75 LEU CG C 13 29.635 0.200 A 75 LEU N N 15 128.000 0.200 A 76 HIS H H 1 9.140 0.020 A 76 HIS HA H 1 5.040 0.020 A 76 HIS HBy H 1 2.950 0.020 A 76 HIS HBx H 1 2.761 0.020 A 76 HIS CA C 13 56.200 0.200 A 76 HIS CB C 13 32.500 0.200 A 76 HIS N N 15 119.600 0.200 A 77 LEU H H 1 8.240 0.020 A 77 LEU HA H 1 5.080 0.020 A 77 LEU HBx H 1 1.234 0.020 A 77 LEU HBy H 1 1.500 0.020 A 77 LEU HDx% H 1 0.765 0.020 A 77 LEU HDy% H 1 0.643 0.020 A 77 LEU HG H 1 1.018 0.020 A 77 LEU CA C 13 53.600 0.200 A 77 LEU CB C 13 44.100 0.200 A 77 LEU CDy C 13 26.068 0.200 A 77 LEU CDx C 13 24.047 0.200 A 77 LEU CG C 13 27.520 0.200 A 77 LEU N N 15 123.800 0.200 A 78 VAL H H 1 9.110 0.020 A 78 VAL HA H 1 4.260 0.020 A 78 VAL HB H 1 1.910 0.020 A 78 VAL HGx% H 1 0.832 0.020 A 78 VAL HGy% H 1 0.748 0.020 A 78 VAL CA C 13 60.400 0.200 A 78 VAL CB C 13 34.700 0.200 A 78 VAL CGy C 13 21.111 0.200 A 78 VAL CGx C 13 20.693 0.200 A 78 VAL N N 15 127.100 0.200 A 79 LEU H H 1 8.050 0.020 A 79 LEU HA H 1 4.950 0.020 A 79 LEU HBx H 1 1.580 0.020 A 79 LEU HDx% H 1 0.756 0.020 A 79 LEU HDy% H 1 0.864 0.020 A 79 LEU HG H 1 1.421 0.020 A 79 LEU CA C 13 53.800 0.200 A 79 LEU CB C 13 42.700 0.200 A 79 LEU CDy C 13 25.003 0.200 A 79 LEU CDx C 13 23.904 0.200 A 79 LEU CG C 13 27.528 0.200 A 79 LEU N N 15 123.400 0.200 A 80 ARG H H 1 8.540 0.020 A 80 ARG HA H 1 4.170 0.020 A 80 ARG HBx H 1 1.670 0.020 A 80 ARG HBy H 1 1.670 0.020 A 80 ARG HDy H 1 2.946 0.020 A 80 ARG HDx H 1 2.761 0.020 A 80 ARG HGy H 1 1.442 0.020 A 80 ARG HGx H 1 1.388 0.020 A 80 ARG CA C 13 55.800 0.200 A 80 ARG CB C 13 31.100 0.200 A 80 ARG CG C 13 27.283 0.200 A 80 ARG N N 15 123.500 0.200 A 81 LEU H H 1 8.250 0.020 A 81 LEU HA H 1 4.270 0.020 A 81 LEU HBy H 1 1.670 0.020 A 81 LEU HBx H 1 1.525 0.020 A 81 LEU HDx% H 1 0.765 0.020 A 81 LEU HDy% H 1 0.808 0.020 A 81 LEU HG H 1 1.132 0.020 A 81 LEU CA C 13 55.000 0.200 A 81 LEU CB C 13 42.200 0.200 A 81 LEU CDy C 13 24.800 0.200 A 81 LEU CDx C 13 23.000 0.200 A 81 LEU CG C 13 26.908 0.200 A 81 LEU N N 15 124.100 0.200 A 82 ARG H H 1 8.310 0.020 A 82 ARG HA H 1 4.200 0.020 A 82 ARG HBy H 1 1.670 0.020 A 82 ARG HBx H 1 1.500 0.020 A 82 ARG CA C 13 56.300 0.200 A 82 ARG CB C 13 30.700 0.200 A 82 ARG CG C 13 26.858 0.200 A 82 ARG N N 15 121.500 0.200 A 83 GLY H H 1 8.410 0.020 A 83 GLY HAx H 1 3.750 0.020 A 83 GLY HAy H 1 3.754 0.020 A 83 GLY CA C 13 45.100 0.200 A 83 GLY N N 15 110.200 0.200 A 84 TYR H H 1 7.950 0.020 A 84 TYR HA H 1 4.400 0.020 A 84 TYR HBy H 1 2.970 0.020 A 84 TYR HBx H 1 2.850 0.020 A 84 TYR CA C 13 58.100 0.200 A 84 TYR CB C 13 38.800 0.200 A 84 TYR N N 15 119.900 0.200 A 85 ALA H H 1 8.150 0.020 A 85 ALA HA H 1 4.150 0.020 A 85 ALA HB% H 1 1.240 0.020 A 85 ALA CA C 13 52.600 0.200 A 85 ALA CB C 13 19.200 0.200 A 85 ALA N N 15 124.800 0.200 A 86 ASP H H 1 8.020 0.020 A 86 ASP HA H 1 4.450 0.020 A 86 ASP HBx H 1 2.640 0.020 A 86 ASP HBy H 1 2.755 0.020 A 86 ASP CA C 13 54.100 0.200 A 86 ASP CB C 13 41.100 0.200 A 86 ASP N N 15 118.900 0.200 A 87 LEU H H 1 8.010 0.020 A 87 LEU HA H 1 4.210 0.020 A 87 LEU HBx H 1 1.550 0.020 A 87 LEU HDx% H 1 0.758 0.020 A 87 LEU HDy% H 1 0.813 0.020 A 87 LEU HG H 1 1.521 0.020 A 87 LEU CA C 13 55.300 0.200 A 87 LEU CB C 13 42.000 0.200 A 87 LEU CDy C 13 24.892 0.200 A 87 LEU CDx C 13 23.308 0.200 A 87 LEU CG C 13 27.108 0.200 A 87 LEU N N 15 122.400 0.200 A 88 ARG H H 1 8.170 0.020 A 88 ARG HA H 1 4.210 0.020 A 88 ARG HBx H 1 1.770 0.020 A 88 ARG HBy H 1 1.770 0.020 A 88 ARG CA C 13 56.300 0.200 A 88 ARG CB C 13 30.600 0.200 A 88 ARG N N 15 121.200 0.200 A 91 PRO HA H 1 4.290 0.020 A 91 PRO HBx H 1 2.176 0.020 A 91 PRO HBy H 1 2.176 0.020 A 91 PRO HGx H 1 1.884 0.020 A 91 PRO HGy H 1 1.884 0.020 A 91 PRO CA C 13 63.800 0.200 A 91 PRO CB C 13 32.100 0.200 A 91 PRO CD C 13 58.259 0.200 A 91 PRO CG C 13 27.123 0.200 A 92 ASP H H 1 8.280 0.020 A 92 ASP HA H 1 4.540 0.020 A 92 ASP HBy H 1 2.650 0.020 A 92 ASP HBx H 1 2.520 0.020 A 92 ASP CA C 13 54.600 0.200 A 92 ASP CB C 13 41.000 0.200 A 92 ASP N N 15 118.700 0.200 A 93 ARG H H 1 7.780 0.020 A 93 ARG HA H 1 4.190 0.020 A 93 ARG HBx H 1 1.700 0.020 A 93 ARG HBy H 1 1.839 0.020 A 93 ARG HDy H 1 2.263 0.020 A 93 ARG HDx H 1 2.238 0.020 A 93 ARG HGy H 1 1.748 0.020 A 93 ARG HGx H 1 1.508 0.020 A 93 ARG CA C 13 56.300 0.200 A 93 ARG CB C 13 30.700 0.200 A 93 ARG CD C 13 35.447 0.200 A 93 ARG CG C 13 27.010 0.200 A 93 ARG N N 15 120.700 0.200 A 94 GLN H H 1 8.280 0.020 A 94 GLN HA H 1 4.210 0.020 A 94 GLN HBx H 1 1.937 0.020 A 94 GLN HBy H 1 1.979 0.020 A 94 GLN HGy H 1 2.263 0.020 A 94 GLN HGx H 1 2.238 0.020 A 94 GLN CA C 13 55.800 0.200 A 94 GLN CB C 13 29.300 0.200 A 94 GLN CG C 13 33.659 0.200 A 94 GLN N N 15 121.000 0.200 A 95 ASP H H 1 8.270 0.020 A 95 ASP HA H 1 4.450 0.020 A 95 ASP HBx H 1 2.495 0.020 A 95 ASP HBy H 1 2.495 0.020 A 95 ASP CA C 13 54.300 0.200 A 95 ASP CB C 13 41.000 0.200 A 95 ASP N N 15 121.000 0.200 A 96 HIS H H 1 8.090 0.020 A 96 HIS HA H 1 4.470 0.020 A 96 HIS HBy H 1 2.900 0.020 A 96 HIS HBx H 1 2.500 0.020 A 96 HIS CA C 13 55.900 0.200 A 96 HIS CB C 13 30.500 0.200 A 96 HIS N N 15 119.300 0.200 A 97 HIS H H 1 8.240 0.020 A 97 HIS HA H 1 4.470 0.020 A 97 HIS HBx H 1 2.900 0.020 A 97 HIS HBy H 1 2.900 0.020 A 97 HIS CA C 13 56.200 0.200 A 97 HIS CB C 13 30.400 0.200 A 97 HIS N N 15 121.300 0.200 A 98 PRO HA H 1 4.340 0.020 A 98 PRO HBx H 1 2.183 0.020 A 98 PRO HBy H 1 2.183 0.020 A 98 PRO HDy H 1 3.539 0.020 A 98 PRO HDx H 1 3.364 0.020 A 98 PRO HGx H 1 1.877 0.020 A 98 PRO HGy H 1 1.887 0.020 A 98 PRO CA C 13 63.700 0.200 A 98 PRO CB C 13 31.900 0.200 A 98 PRO CD C 13 58.259 0.200 A 98 PRO CG C 13 27.254 0.200 A 99 GLY H H 1 8.660 0.020 A 99 GLY HAx H 1 3.920 0.020 A 99 GLY HAy H 1 3.920 0.020 A 99 GLY CA C 13 45.200 0.200 A 99 GLY N N 15 110.000 0.200 A 100 SER H H 1 8.170 0.020 A 100 SER HA H 1 4.360 0.020 A 100 SER HBx H 1 3.800 0.020 A 100 SER HBy H 1 3.801 0.020 A 100 SER CA C 13 58.500 0.200 A 100 SER CB C 13 64.000 0.200 A 100 SER N N 15 115.600 0.200 A 101 GLY H H 1 8.420 0.020 A 101 GLY HAx H 1 3.890 0.020 A 101 GLY HAy H 1 3.920 0.020 A 101 GLY CA C 13 45.200 0.200 A 101 GLY N N 15 111.000 0.200 A 102 ALA H H 1 8.030 0.020 A 102 ALA HA H 1 4.250 0.020 A 102 ALA HB% H 1 1.290 0.020 A 102 ALA CA C 13 52.500 0.200 A 102 ALA CB C 13 19.200 0.200 A 102 ALA N N 15 124.100 0.200 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 2 SER C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -99.285 -73.375 PHI 2 2 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 VAL N 1.0 134.655 147.605 PSI 3 3 A 3 LEU C A 4 VAL N A 4 VAL CA A 4 VAL C 1.0 -119.150 -94.510 PHI 4 4 A 4 VAL N A 4 VAL CA A 4 VAL C A 5 PRO N 1.0 122.320 148.840 PSI 5 5 A 8 SER C A 9 MET N A 9 MET CA A 9 MET C 1.0 -132.010 -103.150 PHI 6 6 A 9 MET N A 9 MET CA A 9 MET C A 10 GLN N 1.0 137.645 153.635 PSI 7 7 A 9 MET C A 10 GLN N A 10 GLN CA A 10 GLN C 1.0 -126.175 -105.345 PHI 8 8 A 10 GLN N A 10 GLN CA A 10 GLN C A 11 ILE N 1.0 138.255 152.105 PSI 9 9 A 10 GLN C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -144.495 -128.885 PHI 10 10 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 PHE N 1.0 148.300 162.600 PSI 11 11 A 11 ILE C A 12 PHE N A 12 PHE CA A 12 PHE C 1.0 -128.305 -115.975 PHI 12 12 A 12 PHE N A 12 PHE CA A 12 PHE C A 13 VAL N 1.0 132.575 146.905 PSI 13 13 A 12 PHE C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -125.250 -114.170 PHI 14 14 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 LYS N 1.0 125.495 138.045 PSI 15 15 A 13 VAL C A 14 LYS N A 14 LYS CA A 14 LYS C 1.0 -115.590 -100.210 PHI 16 16 A 14 LYS N A 14 LYS CA A 14 LYS C A 15 THR N 1.0 127.590 142.750 PSI 17 17 A 14 LYS C A 15 THR N A 15 THR CA A 15 THR C 1.0 -115.420 -85.880 PHI 18 18 A 15 THR N A 15 THR CA A 15 THR C A 16 LEU N 1.0 155.520 166.980 PSI 19 19 A 15 THR C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -72.050 -62.690 PHI 20 20 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 THR N 1.0 -29.730 -13.270 PSI 21 21 A 16 LEU C A 17 THR N A 17 THR CA A 17 THR C 1.0 -102.375 -86.345 PHI 22 22 A 17 THR N A 17 THR CA A 17 THR C A 18 GLY N 1.0 -10.025 3.585 PSI 23 23 A 17 THR C A 18 GLY N A 18 GLY CA A 18 GLY C 1.0 80.575 92.965 PHI 24 24 A 18 GLY N A 18 GLY CA A 18 GLY C A 19 LYS N 1.0 -2.710 9.110 PSI 25 25 A 18 GLY C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -99.025 -73.175 PHI 26 26 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 THR N 1.0 122.535 141.705 PSI 27 27 A 19 LYS C A 20 THR N A 20 THR CA A 20 THR C 1.0 -111.925 -96.135 PHI 28 28 A 20 THR N A 20 THR CA A 20 THR C A 21 ILE N 1.0 125.895 138.485 PSI 29 29 A 20 THR C A 21 ILE N A 21 ILE CA A 21 ILE C 1.0 -127.560 -112.380 PHI 30 30 A 21 ILE N A 21 ILE CA A 21 ILE C A 22 THR N 1.0 118.295 128.185 PSI 31 31 A 21 ILE C A 22 THR N A 22 THR CA A 22 THR C 1.0 -111.270 -96.490 PHI 32 32 A 22 THR N A 22 THR CA A 22 THR C A 23 LEU N 1.0 120.440 130.040 PSI 33 33 A 22 THR C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -130.805 -117.895 PHI 34 34 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 GLU N 1.0 143.520 152.360 PSI 35 35 A 24 GLU C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -140.590 -132.590 PHI 36 36 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 GLU N 1.0 151.525 164.995 PSI 37 37 A 25 VAL C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -126.205 -100.215 PHI 38 38 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 PRO N 1.0 131.025 160.655 PSI 39 39 A 27 PRO C A 28 SER N A 28 SER CA A 28 SER C 1.0 -104.660 -88.640 PHI 40 40 A 28 SER N A 28 SER CA A 28 SER C A 29 ASP N 1.0 -7.600 -1.380 PSI 41 41 A 30 THR C A 31 ILE N A 31 ILE CA A 31 ILE C 1.0 -65.550 -60.370 PHI 42 42 A 31 ILE N A 31 ILE CA A 31 ILE C A 32 GLU N 1.0 -39.300 -29.900 PSI 43 43 A 31 ILE C A 32 GLU N A 32 GLU CA A 32 GLU C 1.0 -64.075 -58.185 PHI 44 44 A 32 GLU N A 32 GLU CA A 32 GLU C A 33 ASN N 1.0 -45.350 -40.490 PSI 45 45 A 32 GLU C A 33 ASN N A 33 ASN CA A 33 ASN C 1.0 -71.985 -64.375 PHI 46 46 A 33 ASN N A 33 ASN CA A 33 ASN C A 34 VAL N 1.0 -43.080 -37.800 PSI 47 47 A 33 ASN C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -65.275 -61.125 PHI 48 48 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 LYS N 1.0 -46.420 -41.620 PSI 49 49 A 34 VAL C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -64.750 -58.890 PHI 50 50 A 35 LYS N A 35 LYS CA A 35 LYS C A 36 ALA N 1.0 -41.180 -35.640 PSI 51 51 A 35 LYS C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -68.780 -65.300 PHI 52 52 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 LYS N 1.0 -43.665 -33.055 PSI 53 53 A 36 ALA C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -69.720 -63.440 PHI 54 54 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 ILE N 1.0 -44.180 -36.820 PSI 55 55 A 37 LYS C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -71.300 -63.160 PHI 56 56 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 GLN N 1.0 -43.355 -36.465 PSI 57 57 A 38 ILE C A 39 GLN N A 39 GLN CA A 39 GLN C 1.0 -64.925 -60.255 PHI 58 58 A 39 GLN N A 39 GLN CA A 39 GLN C A 40 ASP N 1.0 -44.340 -38.480 PSI 59 59 A 39 GLN C A 40 ASP N A 40 ASP CA A 40 ASP C 1.0 -64.575 -58.745 PHI 60 60 A 40 ASP N A 40 ASP CA A 40 ASP C A 41 LYS N 1.0 -40.770 -36.310 PSI 61 61 A 40 ASP C A 41 LYS N A 41 LYS CA A 41 LYS C 1.0 -84.215 -71.605 PHI 62 62 A 41 LYS N A 41 LYS CA A 41 LYS C A 42 GLU N 1.0 -37.195 -23.985 PSI 63 63 A 41 LYS C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -115.940 -100.060 PHI 64 64 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 GLY N 1.0 -18.815 -6.605 PSI 65 65 A 43 GLY C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -114.400 -89.180 PHI 66 66 A 44 ILE N A 44 ILE CA A 44 ILE C A 45 PRO N 1.0 119.440 141.300 PSI 67 67 A 46 PRO C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -75.225 -61.915 PHI 68 68 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 GLN N 1.0 -27.015 -16.665 PSI 69 69 A 49 GLN C A 50 ARG N A 50 ARG CA A 50 ARG C 1.0 -114.160 -88.840 PHI 70 70 A 50 ARG N A 50 ARG CA A 50 ARG C A 51 LEU N 1.0 111.405 128.635 PSI 71 71 A 50 ARG C A 51 LEU N A 51 LEU CA A 51 LEU C 1.0 -123.955 -106.545 PHI 72 72 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 ILE N 1.0 135.685 150.855 PSI 73 73 A 51 LEU C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -128.135 -117.965 PHI 74 74 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 PHE N 1.0 132.610 142.470 PSI 75 75 A 52 ILE C A 53 PHE N A 53 PHE CA A 53 PHE C 1.0 -134.810 -117.990 PHI 76 76 A 53 PHE N A 53 PHE CA A 53 PHE C A 54 ALA N 1.0 119.440 129.400 PSI 77 77 A 53 PHE C A 54 ALA N A 54 ALA CA A 54 ALA C 1.0 49.665 56.035 PHI 78 78 A 54 ALA N A 54 ALA CA A 54 ALA C A 55 GLY N 1.0 40.905 47.695 PSI 79 79 A 55 GLY C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -128.680 -106.700 PHI 80 80 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 GLN N 1.0 132.250 147.250 PSI 81 81 A 56 LYS C A 57 GLN N A 57 GLN CA A 57 GLN C 1.0 -97.130 -78.050 PHI 82 82 A 57 GLN N A 57 GLN CA A 57 GLN C A 58 LEU N 1.0 117.645 138.715 PSI 83 83 A 62 ARG C A 63 THR N A 63 THR CA A 63 THR C 1.0 -118.090 -89.290 PHI 84 84 A 63 THR N A 63 THR CA A 63 THR C A 64 LEU N 1.0 162.365 171.215 PSI 85 85 A 63 THR C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -64.945 -58.515 PHI 86 86 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 SER N 1.0 -39.935 -30.725 PSI 87 87 A 64 LEU C A 65 SER N A 65 SER CA A 65 SER C 1.0 -65.765 -59.015 PHI 88 88 A 65 SER N A 65 SER CA A 65 SER C A 66 GLU N 1.0 -43.415 -38.525 PSI 89 89 A 65 SER C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -69.710 -62.590 PHI 90 90 A 66 GLU N A 66 GLU CA A 66 GLU C A 67 TYR N 1.0 -41.535 -32.665 PSI 91 91 A 68 ASN C A 69 ILE N A 69 ILE CA A 69 ILE C 1.0 -106.765 -78.855 PHI 92 92 A 69 ILE N A 69 ILE CA A 69 ILE C A 70 GLN N 1.0 105.455 129.085 PSI 93 93 A 69 ILE C A 70 GLN N A 70 GLN CA A 70 GLN C 1.0 -120.930 -98.930 PHI 94 94 A 70 GLN N A 70 GLN CA A 70 GLN C A 71 LYS N 1.0 137.975 163.425 PSI 95 95 A 73 SER C A 74 THR N A 74 THR CA A 74 THR C 1.0 -124.490 -107.390 PHI 96 96 A 74 THR N A 74 THR CA A 74 THR C A 75 LEU N 1.0 118.065 130.075 PSI 97 97 A 74 THR C A 75 LEU N A 75 LEU CA A 75 LEU C 1.0 -118.355 -111.525 PHI 98 98 A 75 LEU N A 75 LEU CA A 75 LEU C A 76 HIS N 1.0 132.065 145.795 PSI 99 99 A 75 LEU C A 76 HIS N A 76 HIS CA A 76 HIS C 1.0 -123.320 -102.120 PHI 100 100 A 76 HIS N A 76 HIS CA A 76 HIS C A 77 LEU N 1.0 129.920 144.420 PSI 101 101 A 76 HIS C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -118.375 -100.705 PHI 102 102 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 VAL N 1.0 121.130 129.510 PSI 103 103 A 77 LEU C A 78 VAL N A 78 VAL CA A 78 VAL C 1.0 -127.975 -117.905 PHI 104 104 A 78 VAL N A 78 VAL CA A 78 VAL C A 79 LEU N 1.0 129.855 143.865 PSI 105 105 A 78 VAL C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -113.465 -97.435 PHI 106 106 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 ARG N 1.0 124.705 136.495 PSI 107 107 A 80 ARG C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -78.940 -63.960 PHI 108 108 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 ARG N 1.0 -43.125 -20.595 PSI stop_ save_