data_nef_c17625_2yhh 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_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 8 CYS SG 1 24 CYS SG 1 60 CYS SG 1 80 CYS SG 1 63 CYS SG 1 78 CYS SG . . . . . . . . stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 PRO middle . false 3 A 3 ASN middle . . 4 A 4 PHE middle . . 5 A 5 SER middle . . 6 A 6 HIS middle . . 7 A 7 THR middle . . 8 A 8 CYS middle -HG . 9 A 9 SER middle . . 10 A 10 SER middle . . 11 A 11 ILE middle . . 12 A 12 ASN middle . . 13 A 13 TYR middle . . 14 A 14 ASP middle . . 15 A 15 PRO middle . false 16 A 16 ASP middle . . 17 A 17 SER middle . . 18 A 18 THR middle . . 19 A 19 ILE middle . . 20 A 20 LEU middle . . 21 A 21 SER middle . . 22 A 22 ALA middle . . 23 A 23 GLU middle . . 24 A 24 CYS middle -HG . 25 A 25 GLN middle . . 26 A 26 ALA middle . . 27 A 27 ARG middle . . 28 A 28 ASP middle . . 29 A 29 GLY middle . false 30 A 30 GLU middle . . 31 A 31 TRP middle . . 32 A 32 LEU middle . . 33 A 33 PRO middle . false 34 A 34 THR middle . . 35 A 35 GLU middle . . 36 A 36 LEU middle . . 37 A 37 ARG middle . . 38 A 38 LEU middle . . 39 A 39 SER middle . . 40 A 40 ASP middle . . 41 A 41 HIS middle . . 42 A 42 ILE middle . . 43 A 43 GLY middle . false 44 A 44 ASN middle . . 45 A 45 ILE middle . . 46 A 46 ASP middle . . 47 A 47 GLY middle . false 48 A 48 GLU middle . . 49 A 49 LEU middle . . 50 A 50 GLN middle . . 51 A 51 PHE middle . . 52 A 52 GLY middle . false 53 A 53 ASP middle . . 54 A 54 GLN middle . . 55 A 55 ASN middle . . 56 A 56 PHE middle . . 57 A 57 GLN middle . . 58 A 58 GLU middle . . 59 A 59 THR middle . . 60 A 60 CYS middle -HG . 61 A 61 GLN middle . . 62 A 62 ASP middle . . 63 A 63 CYS middle -HG . 64 A 64 ARG middle . . 65 A 65 LEU middle . . 66 A 66 GLU middle . . 67 A 67 PHE middle . . 68 A 68 GLY middle . false 69 A 69 ASP middle . . 70 A 70 GLY middle . false 71 A 71 GLU middle . . 72 A 72 GLN middle . . 73 A 73 SER middle . . 74 A 74 VAL middle . . 75 A 75 TRP middle . . 76 A 76 LEU middle . . 77 A 77 VAL middle . . 78 A 78 CYS middle -HG . 79 A 79 THR middle . . 80 A 80 CYS middle -HG . 81 A 81 GLN middle . . 82 A 82 THR middle . . 83 A 83 MET middle . . 84 A 84 ASP middle . . 85 A 85 GLY middle . false 86 A 86 GLU middle . . 87 A 87 TRP middle . . 88 A 88 LYS middle . . 89 A 89 SER middle . . 90 A 90 THR middle . . 91 A 91 GLN middle . . 92 A 92 ILE middle . . 93 A 93 LEU middle . . 94 A 94 LEU middle . . 95 A 95 ASP middle . . 96 A 96 SER middle . . 97 A 97 GLN middle . . 98 A 98 ILE middle . . 99 A 99 ASP middle . . 100 A 100 ASN middle . . 101 A 101 ASN middle . . 102 A 102 ASP middle . . 103 A 103 SER middle . . 104 A 104 GLN middle . . 105 A 105 LEU middle . . 106 A 106 GLU middle . . 107 A 107 ILE middle . . 108 A 108 GLY end . false 109 B 1 MAN . . . 110 B 2 MAN . . . 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 1 MET HA H 1 4.515 . A 1 MET CA C 13 53.170 . A 1 MET CB C 13 33.150 . A 1 MET N N 15 120.800 . A 2 PRO HA H 1 4.260 . A 2 PRO C C 13 175.400 . A 2 PRO CA C 13 62.950 . A 2 PRO CB C 13 32.020 . A 2 PRO CD C 13 50.450 . A 2 PRO CG C 13 27.170 . A 3 ASN H H 1 8.329 . A 3 ASN HA H 1 4.439 . A 3 ASN C C 13 174.200 . A 3 ASN CA C 13 53.400 . A 3 ASN CB C 13 38.480 . A 3 ASN N N 15 115.900 . A 3 ASN ND2 N 15 112.800 . A 4 PHE H H 1 8.232 . A 4 PHE HA H 1 4.385 . A 4 PHE C C 13 174.100 . A 4 PHE CA C 13 59.160 . A 4 PHE CB C 13 40.580 . A 4 PHE N N 15 121.400 . A 5 SER H H 1 7.130 . A 5 SER HA H 1 4.290 . A 5 SER C C 13 173.500 . A 5 SER CA C 13 59.380 . A 5 SER CB C 13 64.760 . A 5 SER N N 15 118.900 . A 6 HIS HA H 1 4.220 . A 6 HIS C C 13 174.400 . A 6 HIS CA C 13 57.900 . A 6 HIS CB C 13 29.300 . A 7 THR H H 1 7.515 . A 7 THR HA H 1 4.266 . A 7 THR HB H 1 4.300 . A 7 THR HG2% H 1 0.790 . A 7 THR C C 13 175.900 . A 7 THR CA C 13 62.180 . A 7 THR CB C 13 69.120 . A 7 THR CG2 C 13 21.540 . A 7 THR N N 15 110.200 . A 8 CYS H H 1 7.637 . A 8 CYS HA H 1 5.270 . A 8 CYS C C 13 172.100 . A 8 CYS CA C 13 59.000 . A 8 CYS CB C 13 46.920 . A 8 CYS N N 15 120.500 . A 9 SER H H 1 9.641 . A 9 SER HA H 1 4.763 . A 9 SER C C 13 173.500 . A 9 SER CA C 13 56.940 . A 9 SER CB C 13 65.900 . A 9 SER N N 15 115.800 . A 10 SER H H 1 8.707 . A 10 SER HA H 1 3.937 . A 10 SER C C 13 173.800 . A 10 SER CA C 13 58.150 . A 10 SER CB C 13 61.790 . A 10 SER N N 15 115.100 . A 11 ILE H H 1 8.289 . A 11 ILE HA H 1 4.537 . A 11 ILE HB H 1 1.850 . A 11 ILE HD1% H 1 0.998 . A 11 ILE HG2% H 1 0.976 . A 11 ILE C C 13 176.400 . A 11 ILE CA C 13 62.760 . A 11 ILE CB C 13 38.450 . A 11 ILE CD1 C 13 14.290 . A 11 ILE CG1 C 13 28.680 . A 11 ILE CG2 C 13 18.340 . A 11 ILE N N 15 119.600 . A 12 ASN H H 1 9.529 . A 12 ASN HA H 1 5.031 . A 12 ASN C C 13 172.100 . A 12 ASN CA C 13 53.100 . A 12 ASN CB C 13 43.890 . A 12 ASN N N 15 126.900 . A 12 ASN ND2 N 15 114.400 . A 13 TYR H H 1 8.825 . A 13 TYR HA H 1 5.265 . A 13 TYR C C 13 172.400 . A 13 TYR CA C 13 56.420 . A 13 TYR CB C 13 42.190 . A 13 TYR N N 15 122.900 . A 14 ASP H H 1 7.504 . A 14 ASP HA H 1 4.969 . A 14 ASP C C 13 173.700 . A 14 ASP CA C 13 56.380 . A 14 ASP CB C 13 42.200 . A 14 ASP N N 15 128.800 . A 15 PRO HA H 1 3.946 . A 15 PRO C C 13 178.300 . A 15 PRO CA C 13 63.700 . A 15 PRO CB C 13 32.460 . A 15 PRO CD C 13 51.000 . A 15 PRO CG C 13 27.010 . A 16 ASP H H 1 8.000 . A 16 ASP HA H 1 4.421 . A 16 ASP C C 13 176.500 . A 16 ASP CA C 13 56.670 . A 16 ASP CB C 13 40.910 . A 16 ASP N N 15 117.200 . A 17 SER H H 1 7.366 . A 17 SER HA H 1 4.417 . A 17 SER C C 13 177.000 . A 17 SER CA C 13 58.260 . A 17 SER CB C 13 64.930 . A 17 SER N N 15 112.100 . A 18 THR H H 1 8.278 . A 18 THR HA H 1 4.168 . A 18 THR HB H 1 4.841 . A 18 THR HG2% H 1 0.902 . A 18 THR C C 13 173.100 . A 18 THR CA C 13 64.210 . A 18 THR CB C 13 68.840 . A 18 THR CG2 C 13 21.930 . A 18 THR N N 15 117.200 . A 19 ILE H H 1 7.940 . A 19 ILE HA H 1 4.476 . A 19 ILE HB H 1 1.684 . A 19 ILE HD1% H 1 0.783 . A 19 ILE HG2% H 1 0.766 . A 19 ILE C C 13 175.700 . A 19 ILE CA C 13 62.870 . A 19 ILE CB C 13 37.890 . A 19 ILE CD1 C 13 11.920 . A 19 ILE CG1 C 13 28.570 . A 19 ILE CG2 C 13 17.530 . A 19 ILE N N 15 121.700 . A 20 LEU H H 1 9.530 . A 20 LEU HA H 1 5.362 . A 20 LEU HG H 1 1.219 . A 20 LEU C C 13 174.200 . A 20 LEU CA C 13 53.340 . A 20 LEU CB C 13 45.220 . A 20 LEU CG C 13 27.480 . A 20 LEU N N 15 136.300 . A 21 SER H H 1 9.510 . A 21 SER HA H 1 5.611 . A 21 SER C C 13 172.400 . A 21 SER CA C 13 56.150 . A 21 SER CB C 13 67.020 . A 21 SER N N 15 121.400 . A 22 ALA H H 1 8.603 . A 22 ALA HA H 1 4.791 . A 22 ALA HB% H 1 1.557 . A 22 ALA C C 13 175.800 . A 22 ALA CA C 13 51.510 . A 22 ALA CB C 13 24.340 . A 22 ALA N N 15 120.000 . A 23 GLU H H 1 8.819 . A 23 GLU HA H 1 5.047 . A 23 GLU C C 13 175.800 . A 23 GLU CA C 13 56.070 . A 23 GLU CB C 13 31.470 . A 23 GLU CG C 13 36.350 . A 23 GLU N N 15 119.900 . A 24 CYS H H 1 8.905 . A 24 CYS HA H 1 5.301 . A 24 CYS C C 13 173.300 . A 24 CYS CA C 13 54.200 . A 24 CYS CB C 13 47.220 . A 24 CYS N N 15 121.400 . A 25 GLN H H 1 8.539 . A 25 GLN HA H 1 3.785 . A 25 GLN C C 13 175.600 . A 25 GLN CA C 13 56.080 . A 25 GLN CB C 13 28.490 . A 25 GLN CG C 13 33.390 . A 25 GLN N N 15 126.000 . A 25 GLN NE2 N 15 111.200 . A 26 ALA H H 1 8.853 . A 26 ALA HA H 1 4.307 . A 26 ALA HB% H 1 1.445 . A 26 ALA C C 13 178.900 . A 26 ALA CA C 13 51.290 . A 26 ALA CB C 13 20.530 . A 26 ALA N N 15 130.400 . A 27 ARG H H 1 8.513 . A 27 ARG HA H 1 3.925 . A 27 ARG C C 13 177.800 . A 27 ARG CA C 13 58.410 . A 27 ARG CB C 13 29.880 . A 27 ARG CD C 13 43.150 . A 27 ARG CG C 13 26.850 . A 27 ARG N N 15 120.400 . A 28 ASP H H 1 7.990 . A 28 ASP HA H 1 4.417 . A 28 ASP C C 13 176.900 . A 28 ASP CA C 13 54.030 . A 28 ASP CB C 13 40.150 . A 28 ASP N N 15 115.900 . A 29 GLY H H 1 7.962 . A 29 GLY C C 13 174.200 . A 29 GLY CA C 13 44.970 . A 29 GLY N N 15 108.200 . A 30 GLU H H 1 7.963 . A 30 GLU HA H 1 4.239 . A 30 GLU C C 13 175.100 . A 30 GLU CA C 13 56.280 . A 30 GLU CB C 13 30.350 . A 30 GLU CG C 13 36.100 . A 30 GLU N N 15 122.200 . A 31 TRP H H 1 8.775 . A 31 TRP HA H 1 4.503 . A 31 TRP HD1 H 1 7.300 . A 31 TRP HE1 H 1 10.120 . A 31 TRP HE3 H 1 7.103 . A 31 TRP HH2 H 1 7.194 . A 31 TRP HZ2 H 1 7.453 . A 31 TRP HZ3 H 1 7.220 . A 31 TRP C C 13 176.100 . A 31 TRP CA C 13 57.190 . A 31 TRP CB C 13 29.430 . A 31 TRP CD1 C 13 127.908 . A 31 TRP CE3 C 13 119.488 . A 31 TRP CZ3 C 13 122.560 . A 31 TRP N N 15 124.200 . A 31 TRP NE1 N 15 129.700 . A 32 LEU H H 1 8.957 . A 32 LEU HA H 1 5.071 . A 32 LEU HG H 1 0.890 . A 32 LEU C C 13 175.000 . A 32 LEU CA C 13 51.840 . A 32 LEU CB C 13 44.410 . A 32 LEU N N 15 125.500 . A 33 PRO HA H 1 4.909 . A 33 PRO C C 13 176.600 . A 33 PRO CA C 13 63.350 . A 33 PRO CB C 13 31.920 . A 33 PRO CD C 13 51.180 . A 33 PRO CG C 13 27.310 . A 34 THR H H 1 9.146 . A 34 THR HA H 1 4.594 . A 34 THR HB H 1 3.888 . A 34 THR HG2% H 1 1.121 . A 34 THR C C 13 172.500 . A 34 THR CA C 13 62.100 . A 34 THR CB C 13 71.990 . A 34 THR CG2 C 13 20.300 . A 34 THR N N 15 120.800 . A 35 GLU H H 1 8.375 . A 35 GLU HA H 1 5.285 . A 35 GLU C C 13 174.800 . A 35 GLU CA C 13 55.480 . A 35 GLU CB C 13 33.560 . A 35 GLU CG C 13 36.540 . A 35 GLU N N 15 124.800 . A 36 LEU H H 1 9.194 . A 36 LEU HA H 1 4.676 . A 36 LEU HG H 1 1.490 . A 36 LEU C C 13 174.000 . A 36 LEU CA C 13 54.180 . A 36 LEU CB C 13 46.250 . A 36 LEU CG C 13 27.440 . A 36 LEU N N 15 124.700 . A 37 ARG H H 1 9.143 . A 37 ARG HA H 1 4.388 . A 37 ARG HE H 1 7.234 . A 37 ARG C C 13 176.400 . A 37 ARG CA C 13 56.070 . A 37 ARG CB C 13 29.910 . A 37 ARG CD C 13 43.530 . A 37 ARG CG C 13 27.910 . A 37 ARG N N 15 126.600 . A 37 ARG NE N 15 84.200 . A 38 LEU H H 1 9.215 . A 38 LEU HA H 1 4.254 . A 38 LEU HG H 1 2.333 . A 38 LEU C C 13 179.600 . A 38 LEU CA C 13 59.230 . A 38 LEU CB C 13 40.390 . A 38 LEU CG C 13 26.530 . A 38 LEU N N 15 127.600 . A 39 SER H H 1 9.489 . A 39 SER HA H 1 4.420 . A 39 SER C C 13 175.700 . A 39 SER CA C 13 61.580 . A 39 SER CB C 13 63.250 . A 39 SER N N 15 115.800 . A 40 ASP H H 1 7.656 . A 40 ASP HA H 1 4.605 . A 40 ASP C C 13 176.200 . A 40 ASP CA C 13 55.690 . A 40 ASP CB C 13 40.890 . A 40 ASP N N 15 118.800 . A 41 HIS H H 1 7.965 . A 41 HIS HA H 1 4.974 . A 41 HIS HD1 H 1 7.324 . A 41 HIS HD2 H 1 7.188 . A 41 HIS HE1 H 1 7.758 . A 41 HIS HE2 H 1 7.054 . A 41 HIS C C 13 173.900 . A 41 HIS CA C 13 57.550 . A 41 HIS CB C 13 35.300 . A 41 HIS CD2 C 13 121.750 . A 41 HIS N N 15 115.900 . A 42 ILE H H 1 7.731 . A 42 ILE HA H 1 4.686 . A 42 ILE HB H 1 1.349 . A 42 ILE HD1% H 1 0.318 . A 42 ILE HG2% H 1 0.196 . A 42 ILE C C 13 174.500 . A 42 ILE CA C 13 59.860 . A 42 ILE CB C 13 40.500 . A 42 ILE CD1 C 13 14.940 . A 42 ILE CG1 C 13 28.030 . A 42 ILE CG2 C 13 18.650 . A 42 ILE N N 15 119.600 . A 43 GLY H H 1 8.682 . A 43 GLY C C 13 170.900 . A 43 GLY CA C 13 43.850 . A 43 GLY N N 15 110.800 . A 44 ASN H H 1 8.661 . A 44 ASN HA H 1 4.757 . A 44 ASN C C 13 175.800 . A 44 ASN CA C 13 51.340 . A 44 ASN CB C 13 39.510 . A 44 ASN CG C 13 176.800 . A 44 ASN N N 15 116.300 . A 44 ASN ND2 N 15 110.600 . A 45 ILE H H 1 9.046 . A 45 ILE HA H 1 4.212 . A 45 ILE HB H 1 1.859 . A 45 ILE HD1% H 1 0.648 . A 45 ILE HG2% H 1 0.767 . A 45 ILE C C 13 175.800 . A 45 ILE CA C 13 59.090 . A 45 ILE CB C 13 36.590 . A 45 ILE CD1 C 13 11.580 . A 45 ILE CG1 C 13 27.160 . A 45 ILE CG2 C 13 17.300 . A 45 ILE N N 15 127.800 . A 46 ASP H H 1 9.057 . A 46 ASP HA H 1 4.154 . A 46 ASP C C 13 173.800 . A 46 ASP CA C 13 54.960 . A 46 ASP CB C 13 40.330 . A 46 ASP N N 15 127.900 . A 47 GLY H H 1 8.245 . A 47 GLY C C 13 171.100 . A 47 GLY CA C 13 45.640 . A 47 GLY N N 15 107.600 . A 48 GLU H H 1 7.147 . A 48 GLU HA H 1 4.753 . A 48 GLU C C 13 176.100 . A 48 GLU CA C 13 52.930 . A 48 GLU CB C 13 32.280 . A 48 GLU CG C 13 35.820 . A 48 GLU N N 15 115.900 . A 49 LEU H H 1 7.660 . A 49 LEU HA H 1 4.703 . A 49 LEU HG H 1 1.594 . A 49 LEU C C 13 177.400 . A 49 LEU CA C 13 54.330 . A 49 LEU CB C 13 42.810 . A 49 LEU CG C 13 26.350 . A 49 LEU N N 15 124.500 . A 50 GLN H H 1 8.598 . A 50 GLN HA H 1 4.512 . A 50 GLN C C 13 175.600 . A 50 GLN CA C 13 54.640 . A 50 GLN CB C 13 33.430 . A 50 GLN CG C 13 32.740 . A 50 GLN N N 15 119.400 . A 50 GLN NE2 N 15 110.600 . A 51 PHE H H 1 8.537 . A 51 PHE HA H 1 5.202 . A 51 PHE C C 13 177.100 . A 51 PHE CA C 13 58.650 . A 51 PHE CB C 13 39.840 . A 51 PHE N N 15 121.100 . A 52 GLY H H 1 8.738 . A 52 GLY C C 13 173.600 . A 52 GLY CA C 13 45.750 . A 52 GLY N N 15 108.100 . A 53 ASP H H 1 7.167 . A 53 ASP HA H 1 4.637 . A 53 ASP C C 13 172.600 . A 53 ASP CA C 13 52.760 . A 53 ASP CB C 13 44.150 . A 53 ASP N N 15 121.100 . A 54 GLN H H 1 9.233 . A 54 GLN HA H 1 4.818 . A 54 GLN C C 13 177.300 . A 54 GLN CA C 13 56.050 . A 54 GLN CB C 13 33.400 . A 54 GLN CG C 13 33.830 . A 54 GLN N N 15 115.600 . A 55 ASN H H 1 9.958 . A 55 ASN HA H 1 5.159 . A 55 ASN C C 13 178.000 . A 55 ASN CA C 13 54.720 . A 55 ASN CB C 13 36.080 . A 55 ASN CG C 13 178.400 . A 55 ASN N N 15 111.500 . A 55 ASN ND2 N 15 114.900 . A 56 PHE H H 1 8.389 . A 56 PHE HA H 1 4.064 . A 56 PHE HZ H 1 7.192 . A 56 PHE C C 13 173.900 . A 56 PHE CA C 13 60.640 . A 56 PHE CB C 13 37.160 . A 56 PHE N N 15 116.700 . A 57 GLN H H 1 7.660 . A 57 GLN HA H 1 3.520 . A 57 GLN C C 13 176.100 . A 57 GLN CA C 13 57.490 . A 57 GLN CB C 13 24.720 . A 57 GLN CG C 13 32.270 . A 57 GLN N N 15 121.100 . A 57 GLN NE2 N 15 107.300 . A 58 GLU H H 1 7.393 . A 58 GLU HA H 1 4.163 . A 58 GLU C C 13 178.700 . A 58 GLU CA C 13 58.320 . A 58 GLU CB C 13 30.350 . A 58 GLU CG C 13 36.830 . A 58 GLU N N 15 118.500 . A 59 THR H H 1 7.545 . A 59 THR HA H 1 4.674 . A 59 THR HB H 1 4.465 . A 59 THR HG2% H 1 1.123 . A 59 THR C C 13 171.500 . A 59 THR CA C 13 60.480 . A 59 THR CB C 13 69.060 . A 59 THR CG2 C 13 21.740 . A 59 THR N N 15 105.500 . A 60 CYS H H 1 7.133 . A 60 CYS HA H 1 5.893 . A 60 CYS C C 13 172.600 . A 60 CYS CA C 13 56.940 . A 60 CYS CB C 13 50.270 . A 60 CYS N N 15 116.600 . A 61 GLN H H 1 9.955 . A 61 GLN HA H 1 4.923 . A 61 GLN C C 13 173.400 . A 61 GLN CA C 13 53.710 . A 61 GLN CB C 13 32.710 . A 61 GLN CG C 13 32.560 . A 61 GLN N N 15 119.900 . A 62 ASP H H 1 8.940 . A 62 ASP HA H 1 4.294 . A 62 ASP C C 13 175.800 . A 62 ASP CA C 13 55.320 . A 62 ASP CB C 13 39.490 . A 62 ASP N N 15 117.200 . A 63 CYS H H 1 8.619 . A 63 CYS HA H 1 5.956 . A 63 CYS C C 13 175.600 . A 63 CYS CA C 13 56.680 . A 63 CYS CB C 13 44.280 . A 63 CYS N N 15 116.000 . A 64 ARG H H 1 9.316 . A 64 ARG HA H 1 4.671 . A 64 ARG HE H 1 7.478 . A 64 ARG C C 13 173.000 . A 64 ARG CA C 13 54.800 . A 64 ARG CB C 13 32.440 . A 64 ARG CD C 13 43.560 . A 64 ARG CG C 13 25.840 . A 64 ARG N N 15 120.100 . A 64 ARG NE N 15 86.530 . A 65 LEU H H 1 8.465 . A 65 LEU HA H 1 5.293 . A 65 LEU HG H 1 1.487 . A 65 LEU C C 13 177.800 . A 65 LEU CA C 13 53.320 . A 65 LEU CB C 13 43.000 . A 65 LEU CG C 13 26.490 . A 65 LEU N N 15 117.900 . A 66 GLU H H 1 8.977 . A 66 GLU HA H 1 4.579 . A 66 GLU C C 13 174.300 . A 66 GLU CA C 13 55.290 . A 66 GLU CB C 13 33.750 . A 66 GLU CG C 13 36.350 . A 66 GLU N N 15 121.600 . A 67 PHE H H 1 8.886 . A 67 PHE HA H 1 5.445 . A 67 PHE C C 13 177.200 . A 67 PHE CA C 13 56.940 . A 67 PHE CB C 13 41.500 . A 67 PHE N N 15 121.700 . A 68 GLY H H 1 8.804 . A 68 GLY C C 13 173.600 . A 68 GLY CA C 13 44.600 . A 68 GLY N N 15 109.800 . A 69 ASP H H 1 8.656 . A 69 ASP HA H 1 4.527 . A 69 ASP C C 13 177.800 . A 69 ASP CA C 13 55.300 . A 69 ASP CB C 13 41.040 . A 69 ASP N N 15 120.500 . A 70 GLY H H 1 8.856 . A 70 GLY C C 13 174.200 . A 70 GLY CA C 13 46.390 . A 70 GLY N N 15 112.500 . A 71 GLU H H 1 8.306 . A 71 GLU HA H 1 4.054 . A 71 GLU C C 13 175.700 . A 71 GLU CA C 13 57.600 . A 71 GLU CB C 13 28.470 . A 71 GLU CG C 13 36.470 . A 71 GLU N N 15 116.700 . A 72 GLN H H 1 7.721 . A 72 GLN HA H 1 4.091 . A 72 GLN C C 13 174.300 . A 72 GLN CA C 13 56.080 . A 72 GLN CB C 13 28.770 . A 72 GLN CG C 13 34.230 . A 72 GLN N N 15 116.400 . A 72 GLN NE2 N 15 112.200 . A 73 SER H H 1 7.775 . A 73 SER HA H 1 4.634 . A 73 SER C C 13 173.000 . A 73 SER CA C 13 57.720 . A 73 SER CB C 13 64.980 . A 73 SER N N 15 111.700 . A 74 VAL H H 1 8.632 . A 74 VAL HA H 1 4.403 . A 74 VAL HB H 1 1.899 . A 74 VAL C C 13 172.500 . A 74 VAL CA C 13 61.870 . A 74 VAL CB C 13 34.020 . A 74 VAL N N 15 122.400 . A 75 TRP H H 1 8.980 . A 75 TRP HA H 1 5.051 . A 75 TRP HD1 H 1 6.769 . A 75 TRP HE1 H 1 10.110 . A 75 TRP HE3 H 1 7.071 . A 75 TRP HH2 H 1 7.342 . A 75 TRP HZ3 H 1 7.240 . A 75 TRP C C 13 174.500 . A 75 TRP CA C 13 55.720 . A 75 TRP CB C 13 31.360 . A 75 TRP CD1 C 13 126.774 . A 75 TRP CE3 C 13 119.824 . A 75 TRP N N 15 126.600 . A 75 TRP NE1 N 15 129.400 . A 76 LEU H H 1 8.603 . A 76 LEU HA H 1 4.603 . A 76 LEU HG H 1 1.080 . A 76 LEU C C 13 174.500 . A 76 LEU CA C 13 53.890 . A 76 LEU CB C 13 44.240 . A 76 LEU CG C 13 26.440 . A 76 LEU N N 15 122.900 . A 77 VAL H H 1 8.956 . A 77 VAL HA H 1 4.805 . A 77 VAL HB H 1 1.760 . A 77 VAL C C 13 175.600 . A 77 VAL CA C 13 60.910 . A 77 VAL CB C 13 34.300 . A 77 VAL N N 15 127.200 . A 78 CYS H H 1 8.663 . A 78 CYS HA H 1 5.024 . A 78 CYS C C 13 172.600 . A 78 CYS CA C 13 54.800 . A 78 CYS CB C 13 53.580 . A 78 CYS N N 15 119.200 . A 79 THR H H 1 8.855 . A 79 THR HA H 1 5.080 . A 79 THR HB H 1 3.977 . A 79 THR HG2% H 1 1.242 . A 79 THR C C 13 173.800 . A 79 THR CA C 13 62.070 . A 79 THR CB C 13 69.530 . A 79 THR CG2 C 13 23.080 . A 79 THR N N 15 118.100 . A 80 CYS H H 1 9.582 . A 80 CYS HA H 1 5.597 . A 80 CYS C C 13 172.900 . A 80 CYS CA C 13 56.460 . A 80 CYS CB C 13 45.370 . A 80 CYS N N 15 124.600 . A 81 GLN H H 1 8.044 . A 81 GLN HA H 1 4.185 . A 81 GLN C C 13 177.600 . A 81 GLN CA C 13 55.050 . A 81 GLN CB C 13 29.840 . A 81 GLN CG C 13 33.530 . A 81 GLN N N 15 122.700 . A 81 GLN NE2 N 15 110.500 . A 82 THR H H 1 9.042 . A 82 THR HA H 1 4.050 . A 82 THR HB H 1 4.591 . A 82 THR HG2% H 1 1.058 . A 82 THR C C 13 176.700 . A 82 THR CA C 13 60.630 . A 82 THR CB C 13 70.600 . A 82 THR CG2 C 13 22.040 . A 82 THR N N 15 117.600 . A 83 MET H H 1 9.458 . A 83 MET HA H 1 4.103 . A 83 MET HE% H 1 2.590 . A 83 MET C C 13 177.500 . A 83 MET CA C 13 58.750 . A 83 MET CB C 13 31.930 . A 83 MET CE C 13 12.530 . A 83 MET CG C 13 32.440 . A 83 MET N N 15 120.100 . A 84 ASP H H 1 7.975 . A 84 ASP HA H 1 4.608 . A 84 ASP C C 13 176.500 . A 84 ASP CA C 13 53.720 . A 84 ASP CB C 13 40.510 . A 84 ASP N N 15 115.800 . A 85 GLY H H 1 7.622 . A 85 GLY C C 13 174.300 . A 85 GLY CA C 13 45.510 . A 85 GLY N N 15 107.500 . A 86 GLU H H 1 7.255 . A 86 GLU HA H 1 4.385 . A 86 GLU C C 13 174.400 . A 86 GLU CA C 13 55.230 . A 86 GLU CB C 13 30.770 . A 86 GLU CG C 13 36.220 . A 86 GLU N N 15 120.100 . A 87 TRP H H 1 8.646 . A 87 TRP HA H 1 4.968 . A 87 TRP HD1 H 1 7.232 . A 87 TRP HE1 H 1 10.040 . A 87 TRP HE3 H 1 7.083 . A 87 TRP HH2 H 1 6.942 . A 87 TRP HZ2 H 1 7.300 . A 87 TRP HZ3 H 1 7.063 . A 87 TRP C C 13 176.400 . A 87 TRP CA C 13 56.470 . A 87 TRP CB C 13 30.500 . A 87 TRP CD1 C 13 127.424 . A 87 TRP CE3 C 13 119.650 . A 87 TRP N N 15 121.200 . A 87 TRP NE1 N 15 129.400 . A 88 LYS H H 1 9.335 . A 88 LYS HA H 1 4.806 . A 88 LYS C C 13 174.900 . A 88 LYS CA C 13 54.740 . A 88 LYS CB C 13 35.970 . A 88 LYS CD C 13 29.270 . A 88 LYS CE C 13 41.730 . A 88 LYS CG C 13 23.590 . A 88 LYS N N 15 123.400 . A 89 SER H H 1 8.672 . A 89 SER HA H 1 4.884 . A 89 SER C C 13 173.600 . A 89 SER CA C 13 58.850 . A 89 SER CB C 13 63.380 . A 89 SER N N 15 118.400 . A 90 THR H H 1 8.934 . A 90 THR HA H 1 4.723 . A 90 THR HB H 1 4.316 . A 90 THR HG2% H 1 0.938 . A 90 THR C C 13 170.000 . A 90 THR CA C 13 59.690 . A 90 THR CB C 13 69.060 . A 90 THR CG2 C 13 20.210 . A 90 THR N N 15 123.600 . A 91 GLN H H 1 7.864 . A 91 GLN HA H 1 5.953 . A 91 GLN C C 13 174.500 . A 91 GLN CA C 13 53.160 . A 91 GLN CB C 13 33.770 . A 91 GLN CG C 13 32.040 . A 91 GLN N N 15 119.700 . A 91 GLN NE2 N 15 110.200 . A 92 ILE H H 1 9.209 . A 92 ILE HA H 1 4.644 . A 92 ILE HB H 1 1.292 . A 92 ILE HD1% H 1 -0.086 . A 92 ILE HG2% H 1 0.527 . A 92 ILE C C 13 171.500 . A 92 ILE CA C 13 59.850 . A 92 ILE CB C 13 42.450 . A 92 ILE CD1 C 13 14.030 . A 92 ILE CG1 C 13 28.820 . A 92 ILE CG2 C 13 16.960 . A 92 ILE N N 15 121.000 . A 93 LEU H H 1 8.251 . A 93 LEU HA H 1 3.393 . A 93 LEU HG H 1 0.845 . A 93 LEU C C 13 176.400 . A 93 LEU CA C 13 55.100 . A 93 LEU CB C 13 41.720 . A 93 LEU CG C 13 26.020 . A 93 LEU N N 15 131.400 . A 94 LEU H H 1 8.802 . A 94 LEU HA H 1 4.396 . A 94 LEU C C 13 176.400 . A 94 LEU CA C 13 55.090 . A 94 LEU CB C 13 41.970 . A 94 LEU CG C 13 26.440 . A 94 LEU N N 15 125.890 . A 95 ASP H H 1 7.474 . A 95 ASP HA H 1 4.559 . A 95 ASP C C 13 175.200 . A 95 ASP CA C 13 54.760 . A 95 ASP CB C 13 42.860 . A 95 ASP N N 15 116.800 . A 96 SER H H 1 8.176 . A 96 SER HA H 1 4.443 . A 96 SER C C 13 175.000 . A 96 SER CA C 13 58.650 . A 96 SER CB C 13 64.210 . A 96 SER N N 15 115.500 . A 97 GLN H H 1 8.237 . A 97 GLN HA H 1 4.219 . A 97 GLN C C 13 175.800 . A 97 GLN CA C 13 56.020 . A 97 GLN CB C 13 29.400 . A 97 GLN CG C 13 33.650 . A 97 GLN N N 15 121.400 . A 97 GLN NE2 N 15 111.700 . A 98 ILE H H 1 7.888 . A 98 ILE HA H 1 3.912 . A 98 ILE HB H 1 1.686 . A 98 ILE HD1% H 1 0.708 . A 98 ILE HG2% H 1 0.973 . A 98 ILE C C 13 175.400 . A 98 ILE CA C 13 61.419 . A 98 ILE CB C 13 38.770 . A 98 ILE CD1 C 13 13.190 . A 98 ILE CG1 C 13 27.210 . A 98 ILE CG2 C 13 17.410 . A 98 ILE N N 15 120.300 . A 99 ASP H H 1 8.172 . A 99 ASP HA H 1 4.538 . A 99 ASP C C 13 175.600 . A 99 ASP CA C 13 54.160 . A 99 ASP CB C 13 41.320 . A 99 ASP N N 15 123.200 . A 100 ASN H H 1 8.247 . A 100 ASN HA H 1 4.709 . A 100 ASN C C 13 174.200 . A 100 ASN CA C 13 53.280 . A 100 ASN CB C 13 39.070 . A 100 ASN N N 15 119.900 . A 100 ASN ND2 N 15 112.400 . A 101 ASN H H 1 8.003 . A 101 ASN HA H 1 4.405 . A 101 ASN C C 13 179.500 . A 101 ASN CA C 13 55.070 . A 101 ASN CB C 13 40.720 . A 101 ASN N N 15 124.300 . A 101 ASN ND2 N 15 113.200 . A 102 ASP H H 1 8.490 . A 102 ASP HA H 1 4.571 . A 102 ASP C C 13 177.200 . A 102 ASP CA C 13 54.590 . A 102 ASP CB C 13 40.940 . A 102 ASP N N 15 127.490 . A 103 SER H H 1 8.528 . A 103 SER HA H 1 4.321 . A 103 SER CA C 13 59.710 . A 103 SER CB C 13 63.840 . A 103 SER N N 15 116.500 . A 104 GLN HA H 1 4.309 . A 104 GLN C C 13 174.900 . A 104 GLN CA C 13 55.630 . A 104 GLN CB C 13 29.340 . A 104 GLN CG C 13 33.740 . A 104 GLN NE2 N 15 110.300 . A 105 LEU H H 1 7.807 . A 105 LEU HA H 1 4.105 . A 105 LEU HG H 1 0.834 . A 105 LEU C C 13 174.700 . A 105 LEU CA C 13 56.760 . A 105 LEU CB C 13 43.270 . A 105 LEU CG C 13 26.900 . A 105 LEU N N 15 128.700 . A 106 GLU HA H 1 4.298 . A 106 GLU C C 13 176.100 . A 106 GLU CA C 13 56.460 . A 106 GLU CB C 13 30.650 . A 106 GLU CG C 13 36.090 . A 107 ILE H H 1 8.108 . A 107 ILE HA H 1 4.160 . A 107 ILE HB H 1 1.838 . A 107 ILE HD1% H 1 0.864 . A 107 ILE HG2% H 1 1.051 . A 107 ILE C C 13 175.600 . A 107 ILE CA C 13 61.170 . A 107 ILE CB C 13 38.940 . A 107 ILE CD1 C 13 12.930 . A 107 ILE CG1 C 13 26.840 . A 107 ILE CG2 C 13 17.510 . A 107 ILE N N 15 122.000 . A 108 GLY H H 1 8.006 . A 108 GLY C C 13 178.800 . A 108 GLY CA C 13 46.080 . A 108 GLY N N 15 119.000 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 18 THR HG2% A 57 GLN HGx 1.0 1.8 3.5 2 1 A 18 THR HG2% A 57 GLN HGy 1.0 1.8 3.5 3 2 A 18 THR HG2% A 57 GLN H 1.0 1.8 4.0 4 3 A 18 THR HG2% A 57 GLN HE2y 1.0 1.8 7.0 5 3 A 18 THR HG2% A 57 GLN HE2x 1.0 1.8 7.0 6 4 A 55 ASN HA A 39 SER HBx 1.0 1.8 3.5 7 4 A 39 SER HBy A 55 ASN HA 1.0 1.8 3.5 8 5 A 55 ASN H A 39 SER HBx 1.0 1.8 5.0 9 5 A 39 SER HBy A 55 ASN H 1.0 1.8 5.0 10 6 A 55 ASN HA A 39 SER HA 1.0 1.8 5.0 11 7 A 39 SER HA A 56 PHE HE% 1.0 1.8 5.0 12 8 A 39 SER HA A 56 PHE HD% 1.0 1.8 3.5 13 9 A 39 SER HBy A 57 GLN HE2y 1.0 1.8 3.5 14 9 A 39 SER HBx A 57 GLN HE2y 1.0 1.8 3.5 15 9 A 57 GLN HE2x A 39 SER HBx 1.0 1.8 3.5 16 9 A 57 GLN HE2x A 39 SER HBy 1.0 1.8 3.5 17 10 A 39 SER HA A 57 GLN HE2y 1.0 1.8 5.0 18 10 A 57 GLN HE2x A 39 SER HA 1.0 1.8 5.0 19 11 A 41 HIS HD2 A 52 GLY HAx 1.0 1.8 3.5 20 11 A 41 HIS HD2 A 52 GLY HAy 1.0 1.8 3.5 21 12 A 56 PHE HD% A 42 ILE HB 1.0 1.8 5.0 22 13 A 42 ILE HB A 56 PHE HBx 1.0 1.8 5.0 23 13 A 42 ILE HB A 56 PHE HBy 1.0 1.8 5.0 24 14 A 42 ILE HG2% A 56 PHE HBx 1.0 1.8 3.2 25 14 A 56 PHE HBy A 42 ILE HG2% 1.0 1.8 3.2 26 15 A 43 GLY HAy A 53 ASP HBx 1.0 1.8 5.0 27 15 A 43 GLY HAx A 53 ASP HBx 1.0 1.8 5.0 28 15 A 53 ASP HBy A 43 GLY HAx 1.0 1.8 5.0 29 15 A 43 GLY HAy A 53 ASP HBy 1.0 1.8 5.0 30 16 A 43 GLY HAy A 53 ASP HBx 1.0 1.8 3.5 31 16 A 43 GLY HAx A 53 ASP HBx 1.0 1.8 3.5 32 16 A 53 ASP HBy A 43 GLY HAx 1.0 1.8 3.5 33 16 A 43 GLY HAy A 53 ASP HBy 1.0 1.8 3.5 34 17 A 43 GLY H A 53 ASP HBx 1.0 1.8 5.0 35 17 A 53 ASP HBy A 43 GLY H 1.0 1.8 5.0 36 18 A 54 GLN H A 43 GLY HAx 1.0 1.8 3.5 37 18 A 43 GLY HAy A 54 GLN H 1.0 1.8 3.5 38 19 A 43 GLY HAx A 56 PHE HBx 1.0 1.8 3.5 39 19 A 43 GLY HAy A 56 PHE HBx 1.0 1.8 3.5 40 19 A 56 PHE HBy A 43 GLY HAx 1.0 1.8 3.5 41 19 A 56 PHE HBy A 43 GLY HAy 1.0 1.8 3.5 42 20 A 56 PHE H A 43 GLY HAx 1.0 1.8 5.0 43 20 A 43 GLY HAy A 56 PHE H 1.0 1.8 5.0 44 21 A 56 PHE HA A 43 GLY HAx 1.0 1.8 5.0 45 21 A 43 GLY HAy A 56 PHE HA 1.0 1.8 5.0 46 22 A 44 ASN HA A 49 LEU HA 1.0 1.8 3.5 47 23 A 56 PHE HA A 44 ASN H 1.0 1.8 3.5 48 24 A 44 ASN HD2x A 80 CYS HBx 1.0 1.8 2.7 49 24 A 44 ASN HD2y A 80 CYS HBx 1.0 1.8 2.7 50 24 A 80 CYS HBy A 44 ASN HD2y 1.0 1.8 2.7 51 24 A 44 ASN HD2x A 80 CYS HBy 1.0 1.8 2.7 52 25 A 45 ILE HD1% A 45 ILE HA 1.0 1.8 3.2 53 26 A 45 ILE HD1% A 45 ILE HB 1.0 1.8 3.2 54 27 A 45 ILE HD1% A 45 ILE H 1.0 1.8 5.0 55 28 A 45 ILE H A 45 ILE HG1x 1.0 1.8 5.0 56 28 A 45 ILE H A 45 ILE HG1y 1.0 1.8 5.0 57 29 A 45 ILE HA A 45 ILE HG1x 1.0 1.8 3.3 58 29 A 45 ILE HA A 45 ILE HG1y 1.0 1.8 3.3 59 30 A 45 ILE HA A 45 ILE HG2% 1.0 1.8 3.2 60 31 A 45 ILE H A 45 ILE HG2% 1.0 1.8 3.2 61 32 A 45 ILE HB A 45 ILE H 1.0 1.8 3.5 62 33 A 45 ILE HG2% A 46 ASP HBx 1.0 1.8 5.0 63 33 A 45 ILE HG2% A 46 ASP HBy 1.0 1.8 5.0 64 34 A 45 ILE HD1% A 50 GLN HBx 1.0 1.8 7.0 65 34 A 45 ILE HD1% A 50 GLN HBy 1.0 1.8 7.0 66 35 A 45 ILE HG1y A 50 GLN HGx 1.0 1.8 5.0 67 35 A 45 ILE HG1x A 50 GLN HGx 1.0 1.8 5.0 68 35 A 50 GLN HGy A 45 ILE HG1x 1.0 1.8 5.0 69 35 A 45 ILE HG1y A 50 GLN HGy 1.0 1.8 5.0 70 36 A 45 ILE HG1y A 50 GLN HBx 1.0 1.8 5.0 71 36 A 45 ILE HG1x A 50 GLN HBx 1.0 1.8 5.0 72 36 A 50 GLN HBy A 45 ILE HG1x 1.0 1.8 5.0 73 36 A 45 ILE HG1y A 50 GLN HBy 1.0 1.8 5.0 74 37 A 45 ILE HD1% A 50 GLN HGx 1.0 1.8 5.5 75 37 A 45 ILE HD1% A 50 GLN HGy 1.0 1.8 5.5 76 38 A 45 ILE HD1% A 50 GLN HE2y 1.0 1.8 3.5 77 38 A 45 ILE HD1% A 50 GLN HE2x 1.0 1.8 3.5 78 39 A 46 ASP H A 46 ASP HBx 1.0 1.8 3.5 79 39 A 46 ASP HBy A 46 ASP H 1.0 1.8 3.5 80 40 A 46 ASP HA A 47 GLY H 1.0 1.8 3.5 81 41 A 46 ASP HA A 47 GLY HAx 1.0 1.8 5.0 82 41 A 46 ASP HA A 47 GLY HAy 1.0 1.8 5.0 83 42 A 46 ASP HBx A 83 MET HGx 1.0 1.8 5.0 84 42 A 46 ASP HBy A 83 MET HGx 1.0 1.8 5.0 85 42 A 83 MET HGy A 46 ASP HBx 1.0 1.8 5.0 86 42 A 46 ASP HBy A 83 MET HGy 1.0 1.8 5.0 87 43 A 46 ASP HA A 83 MET HGx 1.0 1.8 3.2 88 43 A 46 ASP HA A 83 MET HGy 1.0 1.8 3.2 89 44 A 46 ASP HA A 83 MET H 1.0 1.8 3.5 90 45 A 46 ASP HA A 83 MET HE% 1.0 1.8 5.0 91 46 A 48 GLU H A 47 GLY HAx 1.0 1.8 3.5 92 46 A 47 GLY HAy A 48 GLU H 1.0 1.8 3.5 93 47 A 47 GLY HAy A 80 CYS HBx 1.0 1.8 3.5 94 47 A 47 GLY HAx A 80 CYS HBx 1.0 1.8 3.5 95 47 A 80 CYS HBy A 47 GLY HAx 1.0 1.8 3.5 96 47 A 80 CYS HBy A 47 GLY HAy 1.0 1.8 3.5 97 48 A 82 THR HA A 47 GLY HAx 1.0 1.8 5.0 98 48 A 47 GLY HAy A 82 THR HA 1.0 1.8 5.0 99 49 A 82 THR HG2% A 47 GLY HAx 1.0 1.8 3.2 100 49 A 47 GLY HAy A 82 THR HG2% 1.0 1.8 3.2 101 50 A 47 GLY H A 82 THR HA 1.0 1.8 3.7 102 51 A 48 GLU H A 48 GLU HBx 1.0 1.8 3.5 103 51 A 48 GLU H A 48 GLU HBy 1.0 1.8 3.5 104 52 A 48 GLU HA A 48 GLU HGx 1.0 1.8 5.0 105 52 A 48 GLU HGy A 48 GLU HA 1.0 1.8 5.0 106 53 A 49 LEU H A 48 GLU HBx 1.0 1.8 5.0 107 53 A 48 GLU HBy A 49 LEU H 1.0 1.8 5.0 108 54 A 56 PHE HA A 49 LEU HD11 1.0 1.8 5.0 109 54 A 56 PHE HA A 49 LEU HD21 1.0 1.8 5.0 110 55 A 56 PHE HD% A 49 LEU HD11 1.0 1.8 3.8 111 55 A 56 PHE HD% A 49 LEU HD21 1.0 1.8 3.8 112 56 A 49 LEU HD11 A 56 PHE HBx 1.0 1.8 3.5 113 56 A 49 LEU HD21 A 56 PHE HBx 1.0 1.8 3.5 114 56 A 56 PHE HBy A 49 LEU HD11 1.0 1.8 3.5 115 56 A 56 PHE HBy A 49 LEU HD21 1.0 1.8 3.5 116 57 A 53 ASP H A 53 ASP HBx 1.0 1.8 3.5 117 57 A 53 ASP HBy A 53 ASP H 1.0 1.8 3.5 118 58 A 54 GLN H A 53 ASP HA 1.0 1.8 2.9 119 59 A 54 GLN H A 53 ASP HBx 1.0 1.8 3.5 120 59 A 53 ASP HBy A 54 GLN H 1.0 1.8 3.5 121 60 A 54 GLN HA A 54 GLN HGx 1.0 1.8 5.0 122 60 A 54 GLN HGy A 54 GLN HA 1.0 1.8 5.0 123 61 A 55 ASN HBx A 55 ASN HD2y 1.0 1.8 4.5 124 61 A 55 ASN HBy A 55 ASN HD2y 1.0 1.8 4.5 125 61 A 55 ASN HD2x A 55 ASN HBx 1.0 1.8 4.5 126 61 A 55 ASN HBy A 55 ASN HD2x 1.0 1.8 4.5 127 62 A 55 ASN HA A 56 PHE H 1.0 1.8 5.0 128 63 A 55 ASN HBx A 58 GLU HBx 1.0 1.8 5.0 129 63 A 58 GLU HBy A 55 ASN HBx 1.0 1.8 5.0 130 63 A 55 ASN HBy A 58 GLU HBy 1.0 1.8 5.0 131 63 A 55 ASN HBy A 58 GLU HBx 1.0 1.8 5.0 132 64 A 55 ASN HBy A 58 GLU HGx 1.0 1.3 4.0 133 64 A 55 ASN HBx A 58 GLU HGx 1.0 1.3 4.0 134 64 A 58 GLU HGy A 55 ASN HBx 1.0 1.3 4.0 135 64 A 55 ASN HBy A 58 GLU HGy 1.0 1.3 4.0 136 65 A 55 ASN HBy A 57 GLN HE2y 1.0 1.8 6.0 137 65 A 55 ASN HBx A 57 GLN HE2y 1.0 1.8 6.0 138 65 A 57 GLN HE2x A 55 ASN HBx 1.0 1.8 6.0 139 65 A 57 GLN HE2x A 55 ASN HBy 1.0 1.8 6.0 140 66 A 56 PHE H A 56 PHE HBx 1.0 1.8 3.5 141 66 A 56 PHE HBy A 56 PHE H 1.0 1.8 3.5 142 67 A 57 GLN H A 56 PHE HA 1.0 1.8 5.0 143 68 A 57 GLN H A 57 GLN HBx 1.0 1.8 3.5 144 68 A 57 GLN H A 57 GLN HBy 1.0 1.8 3.5 145 69 A 57 GLN HA A 57 GLN HGx 1.0 2.3 4.0 146 69 A 57 GLN HGy A 57 GLN HA 1.0 2.3 4.0 147 70 A 57 GLN HA A 58 GLU H 1.0 1.8 5.0 148 71 A 57 GLN HA A 60 CYS HBx 1.0 1.8 3.3 149 71 A 57 GLN HA A 60 CYS HBy 1.0 1.8 3.3 150 72 A 57 GLN HA A 60 CYS H 1.0 1.8 3.5 151 73 A 57 GLN HE2y A 58 GLU HGx 1.0 1.8 3.5 152 73 A 57 GLN HE2x A 58 GLU HGx 1.0 1.8 3.5 153 73 A 58 GLU HGy A 57 GLN HE2y 1.0 1.8 3.5 154 73 A 57 GLN HE2x A 58 GLU HGy 1.0 1.8 3.5 155 74 A 58 GLU H A 58 GLU HBx 1.0 1.8 3.5 156 74 A 58 GLU HBy A 58 GLU H 1.0 1.8 3.5 157 75 A 58 GLU HA A 58 GLU HGx 1.0 1.8 3.3 158 75 A 58 GLU HGy A 58 GLU HA 1.0 1.8 3.3 159 76 A 58 GLU H A 58 GLU HGx 1.0 1.8 4.0 160 76 A 58 GLU HGy A 58 GLU H 1.0 1.8 4.0 161 77 A 59 THR HG2% A 58 GLU HBx 1.0 1.8 3.8 162 77 A 58 GLU HBy A 59 THR HG2% 1.0 1.8 3.8 163 78 A 59 THR H A 58 GLU HBx 1.0 1.8 5.0 164 78 A 58 GLU HBy A 59 THR H 1.0 1.8 5.0 165 79 A 58 GLU HA A 59 THR HG2% 1.0 1.8 5.5 166 80 A 58 GLU HA A 59 THR H 1.0 1.8 5.0 167 81 A 59 THR H A 59 THR HB 1.0 1.8 5.0 168 82 A 59 THR HG2% A 59 THR HA 1.0 1.8 3.2 169 83 A 60 CYS H A 59 THR HA 1.0 1.8 3.5 170 84 A 59 THR HB A 81 GLN HBx 1.0 1.8 2.7 171 84 A 59 THR HB A 81 GLN HBy 1.0 1.8 2.7 172 85 A 59 THR HB A 81 GLN H 1.0 2.3 3.8 173 86 A 80 CYS HA A 81 GLN HBx 1.0 1.8 5.0 174 86 A 81 GLN HBy A 80 CYS HA 1.0 1.8 5.0 175 87 A 81 GLN H A 80 CYS HA 1.0 1.8 2.9 176 88 A 81 GLN H A 81 GLN HBx 1.0 1.8 2.9 177 88 A 81 GLN HBy A 81 GLN H 1.0 1.8 2.9 178 89 A 81 GLN HA A 81 GLN HGx 1.0 1.8 3.3 179 89 A 81 GLN HA A 81 GLN HGy 1.0 1.8 3.3 180 90 A 81 GLN HE2y A 81 GLN HGx 1.0 1.8 5.0 181 90 A 81 GLN HE2x A 81 GLN HGx 1.0 1.8 5.0 182 90 A 81 GLN HGy A 81 GLN HE2y 1.0 1.8 5.0 183 90 A 81 GLN HGy A 81 GLN HE2x 1.0 1.8 5.0 184 91 A 81 GLN H A 81 GLN HGx 1.0 1.8 5.0 185 91 A 81 GLN H A 81 GLN HGy 1.0 1.8 5.0 186 92 A 82 THR HG2% A 81 GLN HA 1.0 1.8 3.5 187 93 A 82 THR H A 81 GLN HGx 1.0 1.8 3.5 188 93 A 81 GLN HGy A 82 THR H 1.0 1.8 3.5 189 94 A 81 GLN HGx A 85 GLY HAx 1.0 1.8 3.3 190 94 A 85 GLY HAy A 81 GLN HGx 1.0 1.8 3.3 191 94 A 81 GLN HGy A 85 GLY HAy 1.0 1.8 3.3 192 94 A 81 GLN HGy A 85 GLY HAx 1.0 1.8 3.3 193 95 A 81 GLN HA A 87 TRP HA 1.0 1.8 2.7 194 96 A 82 THR HA A 82 THR HG2% 1.0 1.8 3.2 195 97 A 82 THR HB A 83 MET HBx 1.0 1.8 5.0 196 97 A 82 THR HB A 83 MET HBy 1.0 1.8 5.0 197 98 A 83 MET H A 82 THR HB 1.0 1.8 2.9 198 99 A 83 MET H A 82 THR HA 1.0 1.8 3.5 199 100 A 82 THR HB A 84 ASP HBx 1.0 1.8 5.0 200 100 A 82 THR HB A 84 ASP HBy 1.0 1.8 5.0 201 101 A 82 THR HB A 84 ASP H 1.0 1.8 3.5 202 102 A 82 THR HG2% A 86 GLU HBx 1.0 1.8 3.2 203 102 A 82 THR HG2% A 86 GLU HBy 1.0 1.8 3.2 204 103 A 82 THR HG2% A 87 TRP HA 1.0 1.8 4.5 205 104 A 82 THR HG2% A 88 LYS HDx 1.0 1.8 3.5 206 104 A 82 THR HG2% A 88 LYS HDy 1.0 1.8 3.5 207 105 A 82 THR HG2% A 88 LYS HEx 1.0 1.8 3.2 208 105 A 82 THR HG2% A 88 LYS HEy 1.0 1.8 3.2 209 106 A 83 MET HA A 83 MET HGx 1.0 1.8 3.3 210 106 A 83 MET HGy A 83 MET HA 1.0 1.8 3.3 211 107 A 83 MET H A 83 MET HGx 1.0 1.8 3.5 212 107 A 83 MET HGy A 83 MET H 1.0 1.8 3.5 213 108 A 83 MET H A 83 MET HBx 1.0 1.8 3.2 214 108 A 83 MET H A 83 MET HBy 1.0 1.8 3.2 215 109 A 84 ASP H A 83 MET HA 1.0 1.8 5.0 216 110 A 83 MET HA A 84 ASP HA 1.0 1.8 5.0 217 111 A 84 ASP HA A 83 MET HBx 1.0 1.8 5.0 218 111 A 83 MET HBy A 84 ASP HA 1.0 1.8 5.0 219 112 A 83 MET HA A 85 GLY H 1.0 1.8 5.0 220 113 A 84 ASP HA A 85 GLY H 1.0 1.8 3.5 221 114 A 86 GLU H A 85 GLY HAx 1.0 1.8 5.0 222 114 A 85 GLY HAy A 86 GLU H 1.0 1.8 5.0 223 115 A 86 GLU H A 86 GLU HBx 1.0 1.8 3.5 224 115 A 86 GLU HBy A 86 GLU H 1.0 1.8 3.5 225 116 A 86 GLU H A 86 GLU HGx 1.0 1.8 3.5 226 116 A 86 GLU H A 86 GLU HGy 1.0 1.8 3.5 227 117 A 86 GLU HA A 86 GLU HGx 1.0 1.8 3.3 228 117 A 86 GLU HGy A 86 GLU HA 1.0 1.8 3.3 229 118 A 87 TRP H A 86 GLU HBx 1.0 1.8 3.5 230 118 A 86 GLU HBy A 87 TRP H 1.0 1.8 3.5 231 119 A 86 GLU HA A 87 TRP H 1.0 1.8 2.9 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 56 PHE H A 18 THR HB 1.0 3.8 8.0 2 2 A 55 ASN H A 39 SER HBx 1.0 1.8 5.0 3 2 A 39 SER HBy A 55 ASN H 1.0 1.8 5.0 4 3 A 55 ASN H A 39 SER HA 1.0 1.8 3.5 5 4 A 56 PHE HE% A 39 SER H 1.0 1.8 5.0 6 5 A 57 GLN H A 39 SER HBx 1.0 1.8 5.0 7 5 A 57 GLN H A 39 SER HBy 1.0 1.8 5.0 8 6 A 57 GLN H A 39 SER HA 1.0 1.8 5.0 9 7 A 39 SER HBy A 57 GLN HE2y 1.0 1.8 3.5 10 7 A 39 SER HBx A 57 GLN HE2y 1.0 1.8 3.5 11 7 A 57 GLN HE2x A 39 SER HBx 1.0 1.8 3.5 12 7 A 57 GLN HE2x A 39 SER HBy 1.0 1.8 3.5 13 8 A 56 PHE HE% A 40 ASP H 1.0 1.8 5.0 14 9 A 53 ASP H A 41 HIS HA 1.0 1.8 5.0 15 10 A 56 PHE HE% A 42 ILE H 1.0 1.8 5.0 16 11 A 42 ILE HB A 56 PHE H 1.0 1.8 5.0 17 12 A 44 ASN H A 43 GLY HAx 1.0 1.8 2.9 18 12 A 43 GLY HAy A 44 ASN H 1.0 1.8 2.9 19 13 A 54 GLN H A 43 GLY HAx 1.0 1.8 3.5 20 13 A 43 GLY HAy A 54 GLN H 1.0 1.8 3.5 21 14 A 56 PHE H A 43 GLY HAx 1.0 1.8 3.8 22 14 A 43 GLY HAy A 56 PHE H 1.0 1.8 3.8 23 15 A 44 ASN H A 44 ASN HBx 1.0 1.8 3.5 24 15 A 44 ASN H A 44 ASN HBy 1.0 1.8 3.5 25 16 A 44 ASN H A 44 ASN HD2y 1.0 1.8 5.0 26 16 A 44 ASN H A 44 ASN HD2x 1.0 1.8 5.0 27 17 A 44 ASN HA A 44 ASN HD2y 1.0 1.8 3.5 28 17 A 44 ASN HA A 44 ASN HD2x 1.0 1.8 3.5 29 18 A 44 ASN HBy A 44 ASN HD2y 1.0 1.8 3.3 30 18 A 44 ASN HBx A 44 ASN HD2y 1.0 1.8 3.3 31 18 A 44 ASN HD2x A 44 ASN HBx 1.0 1.8 3.3 32 18 A 44 ASN HD2x A 44 ASN HBy 1.0 1.8 3.3 33 19 A 45 ILE H A 44 ASN HD2y 1.0 1.8 5.0 34 19 A 44 ASN HD2x A 45 ILE H 1.0 1.8 5.0 35 20 A 44 ASN HA A 45 ILE H 1.0 1.8 2.9 36 21 A 47 GLY H A 44 ASN HD2y 1.0 1.8 4.5 37 21 A 44 ASN HD2x A 47 GLY H 1.0 1.8 4.5 38 22 A 44 ASN H A 53 ASP HBx 1.0 1.8 5.0 39 22 A 53 ASP HBy A 44 ASN H 1.0 1.8 5.0 40 23 A 54 GLN H A 44 ASN H 1.0 1.8 5.0 41 24 A 56 PHE H A 44 ASN H 1.0 1.8 5.0 42 25 A 56 PHE HA A 44 ASN H 1.0 1.8 3.5 43 26 A 81 GLN H A 44 ASN HD2y 1.0 1.8 3.5 44 26 A 44 ASN HD2x A 81 GLN H 1.0 1.8 3.5 45 27 A 45 ILE H A 45 ILE HG2% 1.0 1.8 3.4 46 28 A 45 ILE H A 45 ILE HG1x 1.0 1.8 5.0 47 28 A 45 ILE H A 45 ILE HG1y 1.0 1.8 5.0 48 29 A 45 ILE HB A 45 ILE H 1.0 1.3 3.5 49 30 A 45 ILE HA A 46 ASP H 1.0 1.8 2.9 50 31 A 45 ILE H A 48 GLU H 1.0 1.8 2.9 51 32 A 45 ILE H A 50 GLN H 1.0 1.8 5.0 52 33 A 46 ASP H A 46 ASP HBx 1.0 1.8 3.5 53 33 A 46 ASP HBy A 46 ASP H 1.0 1.8 3.5 54 34 A 46 ASP H A 47 GLY H 1.0 1.8 2.9 55 35 A 47 GLY H A 46 ASP HBx 1.0 1.8 5.0 56 35 A 46 ASP HBy A 47 GLY H 1.0 1.8 5.0 57 36 A 46 ASP HA A 47 GLY H 1.0 1.8 3.2 58 37 A 46 ASP HA A 48 GLU H 1.0 1.8 5.0 59 38 A 48 GLU H A 46 ASP HBx 1.0 1.8 5.0 60 38 A 46 ASP HBy A 48 GLU H 1.0 1.8 5.0 61 39 A 46 ASP H A 83 MET HGx 1.0 1.8 3.5 62 39 A 46 ASP H A 83 MET HGy 1.0 1.8 3.5 63 40 A 46 ASP H A 83 MET H 1.0 1.8 5.5 64 41 A 47 GLY H A 48 GLU H 1.0 1.8 2.9 65 42 A 48 GLU H A 47 GLY HAx 1.0 1.8 3.5 66 42 A 47 GLY HAy A 48 GLU H 1.0 1.8 3.5 67 43 A 47 GLY H A 48 GLU HBx 1.0 1.8 5.0 68 43 A 47 GLY H A 48 GLU HBy 1.0 1.8 5.0 69 44 A 80 CYS H A 47 GLY HAx 1.0 1.8 5.0 70 44 A 47 GLY HAy A 80 CYS H 1.0 1.8 5.0 71 45 A 47 GLY H A 80 CYS HBx 1.0 1.8 5.0 72 45 A 80 CYS HBy A 47 GLY H 1.0 1.8 5.0 73 46 A 82 THR H A 47 GLY HAx 1.0 1.8 5.0 74 46 A 47 GLY HAy A 82 THR H 1.0 1.8 5.0 75 47 A 47 GLY H A 82 THR HG2% 1.0 1.8 5.5 76 48 A 47 GLY H A 83 MET H 1.0 1.8 6.0 77 49 A 47 GLY H A 83 MET HGx 1.0 1.8 6.0 78 49 A 47 GLY H A 83 MET HGy 1.0 1.8 6.0 79 50 A 48 GLU H A 48 GLU HGx 1.0 1.8 3.5 80 50 A 48 GLU H A 48 GLU HGy 1.0 1.8 3.5 81 51 A 48 GLU H A 48 GLU HBx 1.0 1.8 3.5 82 51 A 48 GLU H A 48 GLU HBy 1.0 1.8 3.5 83 52 A 48 GLU HA A 49 LEU H 1.0 1.8 2.9 84 53 A 49 LEU H A 48 GLU HBx 1.0 1.8 5.0 85 53 A 48 GLU HBy A 49 LEU H 1.0 1.8 5.0 86 54 A 48 GLU H A 49 LEU H 1.0 1.8 5.0 87 55 A 49 LEU H A 48 GLU HGx 1.0 1.8 5.0 88 55 A 48 GLU HGy A 49 LEU H 1.0 1.8 5.0 89 56 A 56 PHE H A 49 LEU HD11 1.0 1.8 5.5 90 56 A 56 PHE H A 49 LEU HD21 1.0 1.8 5.5 91 57 A 53 ASP H A 51 PHE HA 1.0 1.8 3.5 92 58 A 53 ASP H A 52 GLY H 1.0 1.8 3.2 93 59 A 53 ASP H A 52 GLY HAx 1.0 1.8 3.5 94 59 A 52 GLY HAy A 53 ASP H 1.0 1.8 3.5 95 60 A 52 GLY H A 53 ASP HBx 1.0 1.8 6.0 96 60 A 53 ASP HBy A 52 GLY H 1.0 1.8 6.0 97 61 A 53 ASP H A 53 ASP HBx 1.0 1.8 2.9 98 61 A 53 ASP HBy A 53 ASP H 1.0 1.8 2.9 99 62 A 54 GLN H A 53 ASP H 1.0 1.8 5.0 100 63 A 54 GLN H A 53 ASP HBx 1.0 1.8 2.9 101 63 A 53 ASP HBy A 54 GLN H 1.0 1.8 2.9 102 64 A 54 GLN H A 53 ASP HA 1.0 1.8 2.9 103 65 A 55 ASN H A 53 ASP HA 1.0 1.8 7.0 104 66 A 54 GLN H A 54 GLN HBx 1.0 1.8 3.5 105 66 A 54 GLN H A 54 GLN HBy 1.0 1.8 3.5 106 67 A 55 ASN H A 54 GLN H 1.0 1.8 5.0 107 68 A 54 GLN HBx A 55 ASN HD2y 1.0 1.8 4.5 108 68 A 54 GLN HBy A 55 ASN HD2y 1.0 1.8 4.5 109 68 A 55 ASN HD2x A 54 GLN HBx 1.0 1.8 4.5 110 68 A 55 ASN HD2x A 54 GLN HBy 1.0 1.8 4.5 111 69 A 54 GLN HGy A 55 ASN HD2y 1.0 1.8 5.0 112 69 A 54 GLN HGx A 55 ASN HD2y 1.0 1.8 5.0 113 69 A 55 ASN HD2x A 54 GLN HGx 1.0 1.8 5.0 114 69 A 54 GLN HGy A 55 ASN HD2x 1.0 1.8 5.0 115 70 A 55 ASN H A 54 GLN HBx 1.0 1.8 2.9 116 70 A 55 ASN H A 54 GLN HBy 1.0 1.8 2.9 117 71 A 55 ASN H A 54 GLN HA 1.0 1.8 2.9 118 72 A 55 ASN HBx A 55 ASN HD2y 1.0 1.8 2.7 119 72 A 55 ASN HBy A 55 ASN HD2y 1.0 1.8 2.7 120 72 A 55 ASN HD2x A 55 ASN HBx 1.0 1.8 2.7 121 72 A 55 ASN HBy A 55 ASN HD2x 1.0 1.8 2.7 122 73 A 55 ASN HA A 55 ASN HD2y 1.0 1.8 5.0 123 73 A 55 ASN HA A 55 ASN HD2x 1.0 1.8 5.0 124 74 A 55 ASN H A 55 ASN HD2y 1.0 1.8 5.0 125 74 A 55 ASN H A 55 ASN HD2x 1.0 1.8 5.0 126 75 A 55 ASN H A 55 ASN HBx 1.0 1.8 3.5 127 75 A 55 ASN H A 55 ASN HBy 1.0 1.8 3.5 128 76 A 55 ASN HA A 56 PHE H 1.0 1.8 3.5 129 77 A 55 ASN H A 56 PHE H 1.0 1.8 3.5 130 78 A 57 GLN H A 55 ASN HA 1.0 1.8 4.0 131 79 A 57 GLN H A 55 ASN HBx 1.0 1.8 6.0 132 79 A 57 GLN H A 55 ASN HBy 1.0 1.8 6.0 133 80 A 55 ASN H A 57 GLN HE2y 1.0 1.8 6.0 134 80 A 57 GLN HE2x A 55 ASN H 1.0 1.8 6.0 135 81 A 55 ASN HA A 57 GLN HE2y 1.0 1.8 3.5 136 81 A 57 GLN HE2x A 55 ASN HA 1.0 1.8 3.5 137 82 A 55 ASN HA A 58 GLU H 1.0 1.8 5.0 138 83 A 58 GLU H A 55 ASN HBx 1.0 1.8 5.0 139 83 A 55 ASN HBy A 58 GLU H 1.0 1.8 5.0 140 84 A 56 PHE H A 56 PHE HBx 1.0 1.8 3.5 141 84 A 56 PHE HBy A 56 PHE H 1.0 1.8 3.5 142 85 A 56 PHE HD% A 56 PHE H 1.0 1.8 3.5 143 86 A 57 GLN H A 56 PHE H 1.0 1.8 3.5 144 87 A 57 GLN H A 56 PHE HD% 1.0 1.8 3.5 145 88 A 56 PHE H A 57 GLN HE2y 1.0 1.8 3.5 146 88 A 57 GLN HE2x A 56 PHE H 1.0 1.8 3.5 147 89 A 57 GLN H A 57 GLN HE2y 1.0 1.8 5.0 148 89 A 57 GLN H A 57 GLN HE2x 1.0 1.8 5.0 149 90 A 57 GLN H A 57 GLN HGx 1.0 1.8 3.5 150 90 A 57 GLN HGy A 57 GLN H 1.0 1.8 3.5 151 91 A 57 GLN H A 57 GLN HBx 1.0 1.8 3.5 152 91 A 57 GLN H A 57 GLN HBy 1.0 1.8 3.5 153 92 A 57 GLN H A 58 GLU H 1.0 1.8 2.9 154 93 A 58 GLU H A 57 GLN HBx 1.0 1.8 5.0 155 93 A 57 GLN HBy A 58 GLU H 1.0 1.8 5.0 156 94 A 57 GLN HA A 58 GLU H 1.0 1.8 5.0 157 95 A 57 GLN HA A 59 THR H 1.0 1.8 5.0 158 96 A 57 GLN HA A 60 CYS H 1.0 1.8 3.5 159 97 A 58 GLU H A 58 GLU HBx 1.0 1.8 2.9 160 97 A 58 GLU HBy A 58 GLU H 1.0 1.8 2.9 161 98 A 58 GLU H A 58 GLU HGx 1.0 1.8 4.0 162 98 A 58 GLU HGy A 58 GLU H 1.0 1.8 4.0 163 99 A 58 GLU H A 59 THR HG2% 1.0 1.8 5.5 164 100 A 59 THR H A 58 GLU HBx 1.0 1.8 3.5 165 100 A 58 GLU HBy A 59 THR H 1.0 1.8 3.5 166 101 A 58 GLU HA A 59 THR H 1.0 1.8 3.5 167 102 A 58 GLU H A 59 THR H 1.0 1.8 2.9 168 103 A 58 GLU H A 60 CYS H 1.0 1.8 5.0 169 104 A 59 THR HG2% A 59 THR H 1.0 1.8 4.0 170 105 A 59 THR H A 59 THR HB 1.0 1.8 5.0 171 106 A 60 CYS H A 59 THR H 1.0 1.8 2.9 172 107 A 60 CYS H A 59 THR HA 1.0 1.8 3.5 173 108 A 60 CYS H A 59 THR HG2% 1.0 1.8 5.5 174 109 A 59 THR H A 60 CYS HBx 1.0 1.8 5.0 175 109 A 60 CYS HBy A 59 THR H 1.0 1.8 5.0 176 110 A 59 THR HB A 81 GLN H 1.0 1.8 5.0 177 111 A 81 GLN H A 60 CYS HA 1.0 1.8 3.5 178 112 A 81 GLN H A 61 GLN H 1.0 1.8 5.3 179 113 A 81 GLN H A 80 CYS H 1.0 1.8 5.0 180 114 A 81 GLN H A 80 CYS HBx 1.0 1.8 3.5 181 114 A 80 CYS HBy A 81 GLN H 1.0 1.8 3.5 182 115 A 81 GLN H A 80 CYS HA 1.0 1.8 2.9 183 116 A 81 GLN H A 81 GLN HGx 1.0 1.8 5.0 184 116 A 81 GLN H A 81 GLN HGy 1.0 1.8 5.0 185 117 A 81 GLN H A 81 GLN HBx 1.0 1.8 2.9 186 117 A 81 GLN HBy A 81 GLN H 1.0 1.8 2.9 187 118 A 81 GLN H A 82 THR H 1.0 1.8 5.0 188 119 A 82 THR H A 81 GLN HGx 1.0 1.8 4.0 189 119 A 81 GLN HGy A 82 THR H 1.0 1.8 4.0 190 120 A 82 THR H A 81 GLN HBx 1.0 1.8 5.0 191 120 A 81 GLN HBy A 82 THR H 1.0 1.8 5.0 192 121 A 81 GLN HA A 82 THR H 1.0 1.8 2.9 193 122 A 82 THR H A 81 GLN HGx 1.0 1.8 3.5 194 122 A 81 GLN HGy A 82 THR H 1.0 1.8 3.5 195 123 A 85 GLY H A 81 GLN HGx 1.0 1.8 6.0 196 123 A 81 GLN HGy A 85 GLY H 1.0 1.8 6.0 197 124 A 81 GLN HE2y A 85 GLY HAx 1.0 1.8 3.5 198 124 A 85 GLY HAy A 81 GLN HE2y 1.0 1.8 3.5 199 124 A 81 GLN HE2x A 85 GLY HAy 1.0 1.8 3.5 200 124 A 81 GLN HE2x A 85 GLY HAx 1.0 1.8 3.5 201 125 A 87 TRP HE1 A 81 GLN HGx 1.0 1.8 5.0 202 125 A 81 GLN HGy A 87 TRP HE1 1.0 1.8 5.0 203 126 A 81 GLN H A 87 TRP HZ3 1.0 1.8 3.5 204 127 A 81 GLN HA A 88 LYS H 1.0 1.8 3.5 205 128 A 82 THR H A 82 THR HB 1.0 1.8 5.0 206 129 A 82 THR HG2% A 82 THR H 1.0 1.8 3.4 207 130 A 83 MET H A 82 THR HG2% 1.0 1.8 5.5 208 131 A 83 MET H A 82 THR HB 1.0 1.8 2.9 209 132 A 82 THR H A 85 GLY H 1.0 1.8 5.0 210 133 A 82 THR HG2% A 86 GLU H 1.0 1.8 5.5 211 134 A 82 THR HB A 86 GLU H 1.0 1.8 5.0 212 135 A 82 THR H A 86 GLU H 1.0 1.8 3.5 213 136 A 82 THR H A 86 GLU HGx 1.0 1.8 6.0 214 136 A 82 THR H A 86 GLU HGy 1.0 1.8 6.0 215 137 A 82 THR H A 87 TRP HA 1.0 1.8 3.5 216 138 A 82 THR HG2% A 88 LYS H 1.0 1.8 5.5 217 139 A 83 MET H A 83 MET HGx 1.0 1.8 3.5 218 139 A 83 MET HGy A 83 MET H 1.0 1.8 3.5 219 140 A 83 MET H A 83 MET HBx 1.0 1.8 2.9 220 140 A 83 MET H A 83 MET HBy 1.0 1.8 2.9 221 141 A 83 MET H A 84 ASP H 1.0 1.8 3.5 222 142 A 84 ASP H A 83 MET HA 1.0 1.8 3.5 223 143 A 84 ASP H A 83 MET HBx 1.0 1.8 3.5 224 143 A 83 MET HBy A 84 ASP H 1.0 1.8 3.5 225 144 A 83 MET H A 85 GLY H 1.0 1.8 5.0 226 145 A 84 ASP H A 84 ASP HBx 1.0 1.8 2.9 227 145 A 84 ASP HBy A 84 ASP H 1.0 1.8 2.9 228 146 A 84 ASP HA A 85 GLY H 1.0 1.8 3.5 229 147 A 84 ASP H A 85 GLY H 1.0 1.8 2.9 230 148 A 85 GLY H A 84 ASP HBx 1.0 1.8 3.5 231 148 A 84 ASP HBy A 85 GLY H 1.0 1.8 3.5 232 149 A 84 ASP H A 86 GLU H 1.0 1.8 5.0 233 150 A 86 GLU H A 85 GLY HAx 1.0 1.8 3.5 234 150 A 85 GLY HAy A 86 GLU H 1.0 1.8 3.5 235 151 A 85 GLY H A 86 GLU H 1.0 1.8 2.9 236 152 A 85 GLY H A 86 GLU HGx 1.0 1.8 5.0 237 152 A 85 GLY H A 86 GLU HGy 1.0 1.8 5.0 238 153 B 1 MAN H3 A 44 ASN HBx 1.0 1.8 3.0 239 153 A 44 ASN HBy B 1 MAN H3 1.0 1.8 3.0 240 154 B 1 MAN H5 A 44 ASN HBx 1.0 1.8 4.5 241 154 A 44 ASN HBy B 1 MAN H5 1.0 1.8 4.5 242 155 A 45 ILE HD1% B 1 MAN H2 1.0 1.8 6.0 243 156 A 46 ASP HA B 1 MAN H3 1.0 1.8 5.0 244 157 A 55 ASN HBy B 1 MAN H4 1.0 1.8 3.2 245 157 B 1 MAN H4 A 55 ASN HBx 1.0 1.8 3.2 246 158 A 55 ASN HBy B 1 MAN H6x 1.0 1.8 5.0 247 158 B 1 MAN H6y A 55 ASN HBx 1.0 1.8 5.0 248 158 B 1 MAN H6x A 55 ASN HBx 1.0 1.8 5.0 249 158 A 55 ASN HBy B 1 MAN H6y 1.0 1.8 5.0 250 159 A 58 GLU HBy B 1 MAN H6x 1.0 1.8 5.0 251 159 A 58 GLU HBy B 1 MAN H6y 1.0 1.8 5.0 252 159 B 1 MAN H6y A 58 GLU HBx 1.0 1.8 5.0 253 159 B 1 MAN H6x A 58 GLU HBx 1.0 1.8 5.0 254 160 A 59 THR HG2% B 1 MAN H4 1.0 1.8 3.3 255 161 A 59 THR HG2% B 1 MAN H6y 1.0 0.3 3.0 256 161 A 59 THR HG2% B 1 MAN H6x 1.0 0.3 3.0 257 162 A 59 THR HG2% B 1 MAN H3 1.0 1.8 4.5 258 163 A 59 THR HG2% B 1 MAN H5 1.0 1.8 3.2 259 164 A 59 THR HG2% B 1 MAN H6x 1.0 1.8 4.0 260 164 A 59 THR HG2% B 1 MAN H6y 1.0 1.8 4.0 261 165 A 83 MET HA B 1 MAN H3 1.0 1.8 3.3 262 166 A 83 MET HA B 1 MAN H5 1.0 1.8 3.3 263 167 B 1 MAN H3 A 83 MET HBx 1.0 1.8 3.5 264 167 A 83 MET HBy B 1 MAN H3 1.0 1.8 3.5 265 168 B 1 MAN H3 A 83 MET HGx 1.0 1.8 3.2 266 168 A 83 MET HGy B 1 MAN H3 1.0 1.8 3.2 267 169 B 1 MAN H3 A 83 MET HBx 1.0 1.8 5.0 268 169 A 83 MET HBy B 1 MAN H3 1.0 1.8 5.0 269 170 B 1 MAN H4 A 83 MET HBx 1.0 1.8 6.0 270 170 A 83 MET HBy B 1 MAN H4 1.0 1.8 6.0 271 171 A 83 MET HE% B 1 MAN H3 1.0 1.8 3.2 272 172 A 83 MET HE% B 1 MAN H2 1.0 1.8 5.0 273 173 A 83 MET HE% B 1 MAN H1 1.0 1.8 6.0 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 B 1 MAN H5 B 1 MAN H1 1.0 1.8 4.6 2 2 B 1 MAN H6x B 1 MAN H1 1.0 1.8 4.3 3 2 B 1 MAN H6y B 1 MAN H1 1.0 1.8 4.3 4 3 B 1 MAN H2 B 1 MAN H1 1.0 1.8 2.8 5 4 B 1 MAN H3 B 1 MAN H1 1.0 1.8 5.0 6 5 B 1 MAN H3 B 1 MAN H4 1.0 1.8 4.3 7 6 B 1 MAN H6x B 1 MAN H5 1.0 1.8 4.3 8 6 B 1 MAN H6y B 1 MAN H5 1.0 1.8 4.3 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 54 GLN O B 1 MAN O3 1.0 1.8 2.9 2 2 A 55 ASN O B 1 MAN O3 1.0 1.8 2.7 3 3 A 55 ASN O B 1 MAN O4 1.0 1.8 3.0 4 4 A 58 GLU OE1 B 1 MAN O6 1.0 1.8 2.8 5 5 A 82 THR O B 1 MAN O4 1.0 1.8 3.9 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 44 ASN N A 44 ASN CA A 44 ASN CB A 44 ASN CG 1.0 -95.0 -25.0 CHI1 2 2 A 45 ILE N A 45 ILE CA A 45 ILE CB A 45 ILE CG1 1.0 155.0 205.0 CHI1 3 3 A 45 ILE CA A 45 ILE CB A 45 ILE CG1 A 45 ILE CD1 1.0 35.0 85.0 CHI2 4 4 A 46 ASP N A 46 ASP CA A 46 ASP CB A 46 ASP CG 1.0 -85.0 -35.0 CHI1 5 5 A 48 GLU N A 48 GLU CA A 48 GLU CB A 48 GLU CG 1.0 -80.0 -40.0 CHI1 6 6 A 53 ASP N A 53 ASP CA A 53 ASP CB A 53 ASP CG 1.0 -80.0 -40.0 CHI1 7 7 A 54 GLN N A 54 GLN CA A 54 GLN CB A 54 GLN CG 1.0 40.0 80.0 CHI1 8 8 A 55 ASN N A 55 ASN CA A 55 ASN CB A 55 ASN CG 1.0 -80.0 -40.0 CHI1 9 9 A 56 PHE N A 56 PHE CA A 56 PHE CB A 56 PHE CG 1.0 40.0 80.0 CHI1 10 10 A 56 PHE CA A 56 PHE CB A 56 PHE CG A 56 PHE CD1 1.0 50.0 130.0 CHI2 11 11 A 57 GLN N A 57 GLN CA A 57 GLN CB A 57 GLN CG 1.0 40.0 80.0 CHI1 12 12 A 58 GLU N A 58 GLU CA A 58 GLU CB A 58 GLU CG 1.0 -80.0 -40.0 CHI1 13 13 A 59 THR N A 59 THR CA A 59 THR CB A 59 THR OG1 1.0 40.0 80.0 CHI1 14 14 A 81 GLN N A 81 GLN CA A 81 GLN CB A 81 GLN CG 1.0 160.0 200.0 CHI1 15 15 A 81 GLN CA A 81 GLN CB A 81 GLN CG A 81 GLN CD 1.0 160.0 200.0 CHI2 16 16 A 82 THR N A 82 THR CA A 82 THR CB A 82 THR OG1 1.0 40.0 80.0 CHI1 17 17 A 83 MET N A 83 MET CA A 83 MET CB A 83 MET CG 1.0 -80.0 -40.0 CHI1 18 18 A 84 ASP N A 84 ASP CA A 84 ASP CB A 84 ASP CG 1.0 -80.0 -40.0 CHI1 19 19 A 86 GLU N A 86 GLU CA A 86 GLU CB A 86 GLU CG 1.0 -80.0 -40.0 CHI1 20 20 B 1 MAN O1 B 1 MAN C1 B 1 MAN C2 B 1 MAN C3 1.0 -80.0 -40.0 . 21 21 B 1 MAN O1 B 1 MAN C1 B 1 MAN C2 B 1 MAN O2 1.0 160.0 200.0 . 22 22 B 1 MAN C1 B 1 MAN C2 B 1 MAN C3 B 1 MAN C4 1.0 -80.0 -40.0 . 23 23 B 1 MAN C1 B 1 MAN C2 B 1 MAN C3 B 1 MAN O3 1.0 160.0 200.0 . 24 24 B 1 MAN O2 B 1 MAN C2 B 1 MAN C3 B 1 MAN C4 1.0 40.0 80.0 . 25 25 B 1 MAN O2 B 1 MAN C2 B 1 MAN C3 B 1 MAN O3 1.0 -80.0 -40.0 . 26 26 B 1 MAN C2 B 1 MAN C3 B 1 MAN C4 B 1 MAN C5 1.0 40.0 80.0 . 27 27 B 1 MAN C2 B 1 MAN C3 B 1 MAN C4 B 1 MAN O4 1.0 160.0 200.0 . 28 28 B 1 MAN O3 B 1 MAN C3 B 1 MAN C4 B 1 MAN C5 1.0 160.0 200.0 . 29 29 B 1 MAN O3 B 1 MAN C3 B 1 MAN C4 B 1 MAN O4 1.0 -80.0 -40.0 . 30 30 B 1 MAN C3 B 1 MAN C4 B 1 MAN C5 B 1 MAN C6 1.0 160.0 200.0 . 31 31 B 1 MAN C3 B 1 MAN C4 B 1 MAN C5 B 1 MAN O5 1.0 -80.0 -40.0 . 32 32 B 1 MAN O4 B 1 MAN C4 B 1 MAN C5 B 1 MAN C6 1.0 40.0 80.0 . 33 33 B 1 MAN O4 B 1 MAN C4 B 1 MAN C5 B 1 MAN O5 1.0 160.0 200.0 . 34 34 B 1 MAN C4 B 1 MAN C5 B 1 MAN C6 B 1 MAN O6 1.0 -80.0 -40.0 . 35 35 B 1 MAN O5 B 1 MAN C5 B 1 MAN C6 B 1 MAN O6 1.0 160.0 200.0 . 36 36 B 1 MAN C4 B 1 MAN C5 B 1 MAN O5 B 1 MAN C1 1.0 40.0 80.0 . 37 37 B 1 MAN C6 B 1 MAN C5 B 1 MAN O5 B 1 MAN C1 1.0 160.0 200.0 . 38 38 B 1 MAN C2 B 1 MAN O2 B 1 MAN C1 B 1 MAN O5 1.0 60.0 120.0 . 39 39 B 1 MAN O2 B 1 MAN C1 B 1 MAN C2 B 1 MAN C3 1.0 -80.0 -40.0 . 40 40 B 1 MAN C1 B 1 MAN C2 B 1 MAN C3 B 1 MAN C4 1.0 -80.0 -40.0 . 41 41 B 1 MAN C2 B 1 MAN C3 B 1 MAN C4 B 1 MAN C5 1.0 40.0 80.0 . 42 42 B 1 MAN C3 B 1 MAN C4 B 1 MAN C5 B 1 MAN C6 1.0 160.0 200.0 . 43 43 B 1 MAN O2 B 1 MAN C2 B 1 MAN C3 B 1 MAN C4 1.0 40.0 80.0 . 44 44 B 1 MAN C1 B 1 MAN C2 B 1 MAN C3 B 1 MAN O3 1.0 160.0 200.0 . 45 45 B 1 MAN O2 B 1 MAN C2 B 1 MAN C3 B 1 MAN O3 1.0 -80.0 -40.0 . 46 46 B 1 MAN O3 B 1 MAN C3 B 1 MAN C4 B 1 MAN C5 1.0 160.0 200.0 . 47 47 B 1 MAN C2 B 1 MAN C3 B 1 MAN C4 B 1 MAN O4 1.0 160.0 200.0 . 48 48 B 1 MAN O3 B 1 MAN C3 B 1 MAN C4 B 1 MAN O4 1.0 -80.0 -40.0 . 49 49 B 1 MAN O4 B 1 MAN C4 B 1 MAN C5 B 1 MAN C6 1.0 40.0 80.0 . 50 50 B 1 MAN C4 B 1 MAN C5 B 1 MAN O5 B 1 MAN C1 1.0 40.0 80.0 . 51 51 B 1 MAN O2 B 1 MAN C1 B 1 MAN O5 B 1 MAN C5 1.0 20.0 100.0 . 52 52 B 1 MAN C3 B 1 MAN C4 B 1 MAN C5 B 1 MAN O5 1.0 -80.0 -40.0 . 53 53 B 1 MAN C2 B 1 MAN C1 B 1 MAN O5 B 1 MAN C5 1.0 -80.0 -40.0 . 54 54 B 1 MAN O5 B 1 MAN C1 B 1 MAN C2 B 1 MAN C3 1.0 40.0 80.0 . 55 55 B 1 MAN O4 B 1 MAN C4 B 1 MAN C5 B 1 MAN O5 1.0 160.0 200.0 . 56 56 B 1 MAN C6 B 1 MAN C5 B 1 MAN O5 B 1 MAN C1 1.0 160.0 200.0 . 57 57 B 1 MAN O5 B 1 MAN C1 B 1 MAN C2 B 1 MAN O2 1.0 -80.0 -40.0 . 58 58 B 1 MAN C4 B 1 MAN C5 B 1 MAN C6 B 1 MAN O6 1.0 -80.0 -40.0 . 59 59 B 1 MAN O5 B 1 MAN C5 B 1 MAN C6 B 1 MAN O6 1.0 160.0 200.0 . stop_ save_