data_nef_c30246_5utg 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5UTG stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 0 GLY start . false 2 A 1 ARG middle . . 3 A 2 SER middle . . 4 A 3 TRP middle . . 5 A 4 HIS middle . . 6 A 5 TYR middle . . 7 A 6 VAL middle . . 8 A 7 GLU middle . . 9 A 8 PRO middle . false 10 A 9 LYS middle . . 11 A 10 PHE middle . . 12 A 11 LEU middle . . 13 A 12 ASN middle . . 14 A 13 LYS middle . . 15 A 14 ALA middle . . 16 A 15 PHE middle . . 17 A 16 GLU middle . . 18 A 17 VAL middle . . 19 A 18 ALA middle . . 20 A 19 LEU middle . . 21 A 20 LYS middle . . 22 A 21 VAL middle . . 23 A 22 GLN middle . . 24 A 23 ILE middle . . 25 A 24 ILE middle . . 26 A 25 ALA middle . . 27 A 26 GLY middle . false 28 A 27 PHE middle . . 29 A 28 ASP middle . . 30 A 29 ARG middle . . 31 A 30 GLY middle . false 32 A 31 LEU middle . . 33 A 32 VAL middle . . 34 A 33 LYS middle . . 35 A 34 TRP middle . . 36 A 35 LEU middle . . 37 A 36 ARG middle . . 38 A 37 VAL middle . . 39 A 38 HIS middle . . 40 A 39 GLY middle . false 41 A 40 ARG middle . . 42 A 41 THR middle . . 43 A 42 LEU middle . . 44 A 43 SER middle . . 45 A 44 THR middle . . 46 A 45 VAL middle . . 47 A 46 GLN middle . . 48 A 47 LYS middle . . 49 A 48 LYS middle . . 50 A 49 ALA middle . . 51 A 50 LEU middle . . 52 A 51 TYR middle . . 53 A 52 PHE middle . . 54 A 53 VAL middle . . 55 A 54 ASN middle . . 56 A 55 ARG middle . . 57 A 56 ARG middle . . 58 A 57 TYR middle . . 59 A 58 MET middle . . 60 A 59 GLN middle . . 61 A 60 THR middle . . 62 A 61 HIS middle . . 63 A 62 TRP middle . . 64 A 63 ALA middle . . 65 A 64 ASN middle . . 66 A 65 TYR middle . . 67 A 66 MET middle . . 68 A 67 LEU middle . . 69 A 68 TRP middle . . 70 A 69 ILE middle . . 71 A 70 ASN middle . . 72 A 71 LYS middle . . 73 A 72 LYS middle . . 74 A 73 ILE middle . . 75 A 74 ASP middle . . 76 A 75 ALA middle . . 77 A 76 LEU middle . . 78 A 77 GLY middle . false 79 A 78 ARG middle . . 80 A 79 THR middle . . 81 A 80 PRO middle . false 82 A 81 VAL middle . . 83 A 82 VAL middle . . 84 A 83 GLY middle . false 85 A 84 ASP middle . . 86 A 85 TYR middle . . 87 A 86 THR middle . . 88 A 87 ARG middle . . 89 A 88 LEU middle . . 90 A 89 GLY middle . false 91 A 90 ALA middle . . 92 A 91 GLU middle . . 93 A 92 ILE middle . . 94 A 93 GLY middle . false 95 A 94 ARG middle . . 96 A 95 ARG middle . . 97 A 96 ILE middle . . 98 A 97 ASP middle . . 99 A 98 MET middle . . 100 A 99 ALA middle . . 101 A 100 TYR middle . . 102 A 101 PHE middle . . 103 A 102 TYR middle . . 104 A 103 ASP middle . . 105 A 104 ALA middle . . 106 A 105 LEU middle . . 107 A 106 LYS middle . . 108 A 107 ASP middle . . 109 A 108 LYS middle . . 110 A 109 ASN middle . . 111 A 110 MET middle . . 112 A 111 ILE middle . . 113 A 112 PRO middle . false 114 A 113 LYS middle . . 115 A 114 TYR middle . . 116 A 115 LEU middle . . 117 A 116 PRO middle . false 118 A 117 TYR middle . . 119 A 118 MET middle . . 120 A 119 GLU middle . . 121 A 120 GLU middle . . 122 A 121 ILE middle . . 123 A 122 ASN middle . . 124 A 123 ARG middle . . 125 A 124 MET middle . . 126 A 125 ARG middle . . 127 A 126 PRO middle . false 128 A 127 ALA middle . . 129 A 128 ASP middle . . 130 A 129 VAL middle . . 131 A 130 PRO middle . false 132 A 131 VAL middle . . 133 A 132 LYS middle . . 134 A 133 TYR middle . . 135 A 134 MET end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 3 TRP HBx H 1 3.464 0.14 A 3 TRP HBy H 1 3.464 0.14 A 3 TRP HD1 H 1 7.148 0.01 A 3 TRP HE1 H 1 10.121 0.00 A 3 TRP CB C 13 29.339 0.00 A 3 TRP CD1 C 13 130.741 0.06 A 3 TRP NE1 N 15 129.509 0.07 A 5 TYR C C 13 174.817 0.00 A 5 TYR CB C 13 39.137 0.00 A 6 VAL H H 1 7.747 0.03 A 6 VAL HA H 1 4.048 0.01 A 6 VAL HB H 1 1.909 0.01 A 6 VAL HGx% H 1 0.889 0.02 A 6 VAL HGy% H 1 0.865 0.01 A 6 VAL C C 13 174.696 0.00 A 6 VAL CA C 13 61.304 0.13 A 6 VAL CB C 13 33.258 0.08 A 6 VAL CGx C 13 20.694 0.08 A 6 VAL CGy C 13 20.877 0.11 A 6 VAL N N 15 124.614 0.20 A 7 GLU H H 1 8.362 0.01 A 7 GLU HA H 1 4.445 0.02 A 7 GLU HBy H 1 2.035 0.02 A 7 GLU HBx H 1 1.959 0.00 A 7 GLU HGx H 1 2.361 0.01 A 7 GLU HGy H 1 2.361 0.01 A 7 GLU CA C 13 54.252 0.06 A 7 GLU CB C 13 29.759 0.05 A 7 GLU CG C 13 36.029 0.04 A 7 GLU N N 15 126.908 0.11 A 8 PRO HA H 1 4.365 0.01 A 8 PRO HBx H 1 1.720 0.02 A 8 PRO HBy H 1 1.720 0.02 A 8 PRO HDx H 1 3.900 0.02 A 8 PRO HDy H 1 3.900 0.02 A 8 PRO HGx H 1 2.039 0.02 A 8 PRO HGy H 1 2.039 0.02 A 8 PRO C C 13 176.209 0.00 A 8 PRO CA C 13 62.953 0.05 A 8 PRO CB C 13 32.136 0.03 A 8 PRO CD C 13 50.862 0.05 A 8 PRO CG C 13 27.520 0.07 A 9 LYS H H 1 8.198 0.01 A 9 LYS HA H 1 4.244 0.01 A 9 LYS HBx H 1 1.694 0.02 A 9 LYS HBy H 1 1.694 0.02 A 9 LYS HEx H 1 2.996 0.00 A 9 LYS HEy H 1 2.996 0.00 A 9 LYS HGx H 1 1.337 0.02 A 9 LYS HGy H 1 1.337 0.02 A 9 LYS CA C 13 55.740 0.09 A 9 LYS CB C 13 33.012 0.07 A 9 LYS CG C 13 24.549 0.00 A 9 LYS N N 15 121.089 0.18 A 10 PHE H H 1 7.880 0.00 A 10 PHE C C 13 175.086 0.00 A 10 PHE CA C 13 56.870 0.01 A 10 PHE CB C 13 39.740 0.00 A 10 PHE N N 15 120.353 0.04 A 11 LEU H H 1 6.952 0.01 A 11 LEU HA H 1 4.492 0.01 A 11 LEU CA C 13 54.256 0.06 A 11 LEU CB C 13 44.359 0.00 A 11 LEU N N 15 122.387 0.06 A 13 LYS C C 13 177.349 0.00 A 13 LYS CA C 13 58.952 0.03 A 13 LYS CB C 13 31.742 0.03 A 14 ALA H H 1 8.240 0.00 A 14 ALA HA H 1 4.108 0.01 A 14 ALA HB% H 1 1.302 0.00 A 14 ALA C C 13 180.989 0.00 A 14 ALA CA C 13 54.981 0.05 A 14 ALA CB C 13 17.774 0.09 A 14 ALA N N 15 118.233 0.05 A 15 PHE H H 1 7.257 0.01 A 15 PHE HA H 1 4.424 0.01 A 15 PHE HBx H 1 2.948 0.01 A 15 PHE HBy H 1 2.948 0.01 A 15 PHE HDx H 1 7.039 0.02 A 15 PHE HDy H 1 7.039 0.02 A 15 PHE HEx H 1 7.376 0.03 A 15 PHE HEy H 1 7.376 0.03 A 15 PHE CA C 13 55.986 0.11 A 15 PHE CB C 13 35.710 0.11 A 15 PHE CDx C 13 133.156 0.05 A 15 PHE CEx C 13 131.289 0.00 A 15 PHE N N 15 117.649 0.05 A 16 GLU H H 1 7.969 0.01 A 16 GLU C C 13 178.535 0.00 A 16 GLU CA C 13 60.676 0.04 A 16 GLU CB C 13 30.804 0.05 A 16 GLU N N 15 120.003 0.05 A 17 VAL H H 1 9.039 0.01 A 17 VAL HA H 1 3.490 0.02 A 17 VAL HB H 1 2.181 0.00 A 17 VAL HGx% H 1 1.265 0.01 A 17 VAL HGy% H 1 1.045 0.02 A 17 VAL C C 13 176.296 0.00 A 17 VAL CA C 13 68.338 0.12 A 17 VAL CB C 13 31.949 0.06 A 17 VAL CGy C 13 23.315 0.05 A 17 VAL CGx C 13 21.514 0.01 A 17 VAL N N 15 118.402 0.03 A 18 ALA H H 1 7.428 0.01 A 18 ALA HA H 1 4.182 0.01 A 18 ALA HB% H 1 1.692 0.01 A 18 ALA C C 13 180.570 0.00 A 18 ALA CA C 13 55.279 0.08 A 18 ALA CB C 13 18.701 0.10 A 18 ALA N N 15 119.638 0.03 A 19 LEU H H 1 7.727 0.01 A 19 LEU HA H 1 4.083 0.01 A 19 LEU C C 13 178.533 0.00 A 19 LEU CA C 13 58.334 0.07 A 19 LEU CB C 13 44.573 0.00 A 19 LEU N N 15 114.290 0.05 A 20 LYS H H 1 8.608 0.01 A 20 LYS C C 13 178.868 0.00 A 20 LYS CA C 13 61.358 0.08 A 20 LYS CB C 13 32.081 0.08 A 20 LYS N N 15 118.005 0.05 A 21 VAL H H 1 8.667 0.01 A 21 VAL HA H 1 3.546 0.02 A 21 VAL HB H 1 2.189 0.01 A 21 VAL HGx% H 1 1.169 0.01 A 21 VAL HGy% H 1 1.003 0.00 A 21 VAL C C 13 179.395 0.00 A 21 VAL CA C 13 66.475 0.07 A 21 VAL CB C 13 32.032 0.04 A 21 VAL CGy C 13 23.081 0.09 A 21 VAL CGx C 13 20.691 0.06 A 21 VAL N N 15 114.486 0.06 A 22 GLN H H 1 7.218 0.00 A 22 GLN HA H 1 4.066 0.01 A 22 GLN HBx H 1 1.993 0.04 A 22 GLN HBy H 1 1.993 0.04 A 22 GLN HGx H 1 2.386 0.01 A 22 GLN HGy H 1 2.386 0.01 A 22 GLN C C 13 179.378 0.00 A 22 GLN CA C 13 57.414 0.07 A 22 GLN CB C 13 28.437 0.10 A 22 GLN CG C 13 33.638 0.03 A 22 GLN N N 15 115.040 0.03 A 23 ILE H H 1 8.800 0.01 A 23 ILE HA H 1 3.175 0.01 A 23 ILE HB H 1 1.721 0.01 A 23 ILE HD1% H 1 0.843 0.01 A 23 ILE HG1x H 1 1.936 0.01 A 23 ILE HG1y H 1 1.936 0.01 A 23 ILE HG2% H 1 0.158 0.01 A 23 ILE C C 13 176.662 0.00 A 23 ILE CA C 13 66.505 0.17 A 23 ILE CB C 13 38.101 0.05 A 23 ILE CD1 C 13 14.210 0.21 A 23 ILE CG1 C 13 29.266 0.10 A 23 ILE CG2 C 13 17.532 0.04 A 23 ILE N N 15 123.204 0.11 A 24 ILE H H 1 8.104 0.01 A 24 ILE HA H 1 3.557 0.01 A 24 ILE HB H 1 1.960 0.01 A 24 ILE HD1% H 1 0.942 0.01 A 24 ILE HG1x H 1 1.344 0.01 A 24 ILE HG1y H 1 1.344 0.01 A 24 ILE HG2% H 1 1.079 0.01 A 24 ILE C C 13 177.511 0.00 A 24 ILE CA C 13 64.678 0.07 A 24 ILE CB C 13 36.456 0.06 A 24 ILE CD1 C 13 13.157 0.05 A 24 ILE CG1 C 13 30.409 0.00 A 24 ILE CG2 C 13 17.864 0.03 A 24 ILE N N 15 116.902 0.05 A 25 ALA H H 1 7.749 0.00 A 25 ALA HA H 1 4.349 0.01 A 25 ALA HB% H 1 1.585 0.00 A 25 ALA C C 13 181.577 0.00 A 25 ALA CA C 13 55.465 0.09 A 25 ALA CB C 13 18.064 0.12 A 25 ALA N N 15 118.913 0.04 A 26 GLY H H 1 8.050 0.00 A 26 GLY HAy H 1 3.764 0.01 A 26 GLY C C 13 176.983 0.00 A 26 GLY CA C 13 47.318 0.02 A 26 GLY N N 15 106.095 0.07 A 27 PHE H H 1 9.056 0.00 A 27 PHE HA H 1 4.855 0.03 A 27 PHE HBx H 1 3.381 0.01 A 27 PHE HBy H 1 3.381 0.01 A 27 PHE HDx H 1 7.374 0.01 A 27 PHE HDy H 1 7.374 0.01 A 27 PHE C C 13 179.956 0.00 A 27 PHE CA C 13 57.378 0.16 A 27 PHE CB C 13 36.170 0.10 A 27 PHE CDx C 13 129.663 0.02 A 27 PHE N N 15 124.366 0.05 A 28 ASP H H 1 9.518 0.01 A 28 ASP HA H 1 4.157 0.01 A 28 ASP HBy H 1 3.113 0.01 A 28 ASP HBx H 1 2.912 0.00 A 28 ASP C C 13 177.999 0.00 A 28 ASP CA C 13 57.990 0.07 A 28 ASP CB C 13 39.042 0.20 A 28 ASP N N 15 122.530 0.03 A 29 ARG H H 1 8.221 0.01 A 29 ARG HA H 1 4.232 0.01 A 29 ARG HBy H 1 2.196 0.00 A 29 ARG HBx H 1 2.098 0.05 A 29 ARG HDx H 1 3.201 0.01 A 29 ARG HDy H 1 3.201 0.01 A 29 ARG HGx H 1 1.789 0.04 A 29 ARG HGy H 1 1.789 0.04 A 29 ARG C C 13 180.329 0.00 A 29 ARG CA C 13 60.041 0.06 A 29 ARG CB C 13 30.224 0.05 A 29 ARG CD C 13 43.524 0.01 A 29 ARG CG C 13 27.538 0.05 A 29 ARG N N 15 120.430 0.05 A 30 GLY H H 1 8.103 0.00 A 30 GLY HAy H 1 4.540 0.01 A 30 GLY HAx H 1 4.101 0.01 A 30 GLY C C 13 177.140 0.00 A 30 GLY CA C 13 47.097 0.04 A 30 GLY N N 15 107.643 0.07 A 31 LEU H H 1 8.443 0.00 A 31 LEU HA H 1 4.423 0.00 A 31 LEU C C 13 178.035 0.00 A 31 LEU CA C 13 58.156 0.02 A 31 LEU CB C 13 40.352 0.15 A 31 LEU N N 15 126.623 0.13 A 32 VAL H H 1 8.726 0.00 A 32 VAL HA H 1 3.622 0.00 A 32 VAL HB H 1 2.310 0.00 A 32 VAL HGx% H 1 1.272 0.00 A 32 VAL HGy% H 1 1.061 0.00 A 32 VAL C C 13 179.101 0.00 A 32 VAL CA C 13 67.731 0.05 A 32 VAL CB C 13 31.756 0.06 A 32 VAL CGy C 13 23.922 0.03 A 32 VAL CGx C 13 21.207 0.06 A 32 VAL N N 15 121.138 0.06 A 33 LYS H H 1 7.715 0.20 A 33 LYS HA H 1 4.082 0.01 A 33 LYS HBx H 1 2.153 0.01 A 33 LYS HBy H 1 2.153 0.01 A 33 LYS HEx H 1 3.081 0.04 A 33 LYS HEy H 1 3.081 0.04 A 33 LYS HGx H 1 1.586 0.01 A 33 LYS HGy H 1 1.586 0.01 A 33 LYS C C 13 175.950 0.00 A 33 LYS CA C 13 60.029 0.13 A 33 LYS CB C 13 32.660 0.08 A 33 LYS CE C 13 41.971 0.05 A 33 LYS CG C 13 25.169 0.08 A 33 LYS N N 15 119.101 1.21 A 34 TRP H H 1 8.322 0.00 A 34 TRP HA H 1 4.362 0.01 A 34 TRP HBx H 1 2.172 0.01 A 34 TRP HBy H 1 2.172 0.01 A 34 TRP HD1 H 1 7.519 0.01 A 34 TRP HE1 H 1 10.831 0.01 A 34 TRP C C 13 179.496 0.00 A 34 TRP CA C 13 62.757 0.15 A 34 TRP CB C 13 29.668 0.06 A 34 TRP CD1 C 13 126.775 0.10 A 34 TRP N N 15 122.795 0.14 A 34 TRP NE1 N 15 134.491 0.04 A 35 LEU H H 1 9.787 0.00 A 35 LEU HA H 1 3.665 0.02 A 35 LEU CA C 13 57.202 0.03 A 35 LEU CB C 13 42.261 0.00 A 35 LEU N N 15 119.876 0.14 A 36 ARG H H 1 7.760 0.00 A 36 ARG HA H 1 4.065 0.03 A 36 ARG HBx H 1 1.987 0.01 A 36 ARG HBy H 1 1.987 0.01 A 36 ARG HDx H 1 3.270 0.01 A 36 ARG HDy H 1 3.270 0.01 A 36 ARG HGx H 1 1.748 0.01 A 36 ARG HGy H 1 1.748 0.01 A 36 ARG C C 13 177.145 0.00 A 36 ARG CA C 13 59.435 0.10 A 36 ARG CB C 13 30.120 0.04 A 36 ARG CD C 13 43.432 0.05 A 36 ARG CG C 13 27.708 0.02 A 36 ARG N N 15 119.156 0.07 A 37 VAL H H 1 6.964 0.00 A 37 VAL HA H 1 3.806 0.01 A 37 VAL HB H 1 1.524 0.01 A 37 VAL HGx% H 1 0.862 0.00 A 37 VAL HGy% H 1 0.181 0.00 A 37 VAL C C 13 177.476 0.00 A 37 VAL CA C 13 64.181 0.04 A 37 VAL CB C 13 33.865 0.03 A 37 VAL CGy C 13 21.476 0.02 A 37 VAL CGx C 13 20.188 0.01 A 37 VAL N N 15 115.871 0.09 A 38 HIS H H 1 7.746 0.01 A 38 HIS HA H 1 4.351 0.01 A 38 HIS HD2 H 1 6.858 0.00 A 38 HIS HE1 H 1 7.698 0.01 A 38 HIS C C 13 176.735 0.00 A 38 HIS CA C 13 57.015 0.08 A 38 HIS CB C 13 31.516 0.06 A 38 HIS CD2 C 13 118.110 0.00 A 38 HIS CE1 C 13 138.661 0.04 A 38 HIS N N 15 116.679 0.08 A 39 GLY H H 1 8.290 0.01 A 39 GLY HAy H 1 3.910 0.04 A 39 GLY HAx H 1 3.780 0.00 A 39 GLY CA C 13 46.860 0.03 A 39 GLY N N 15 107.699 0.06 A 40 ARG HA H 1 4.177 0.00 A 40 ARG HBx H 1 1.893 0.01 A 40 ARG HBy H 1 1.893 0.01 A 40 ARG HDx H 1 3.242 0.01 A 40 ARG HDy H 1 3.242 0.01 A 40 ARG HGx H 1 1.637 0.01 A 40 ARG HGy H 1 1.637 0.01 A 40 ARG CA C 13 58.805 0.00 A 40 ARG CB C 13 29.867 0.13 A 40 ARG CD C 13 43.204 0.06 A 40 ARG CG C 13 27.181 0.03 A 41 THR HA H 1 4.483 0.01 A 41 THR HB H 1 4.593 0.01 A 41 THR HG2% H 1 1.203 0.00 A 41 THR C C 13 174.341 0.00 A 41 THR CA C 13 61.226 0.11 A 41 THR CB C 13 68.875 0.07 A 41 THR CG2 C 13 21.598 0.03 A 42 LEU H H 1 7.294 0.01 A 42 LEU HA H 1 4.747 0.02 A 42 LEU HBx H 1 1.668 0.00 A 42 LEU HBy H 1 1.668 0.00 A 42 LEU HDx% H 1 0.905 0.00 A 42 LEU C C 13 176.990 0.00 A 42 LEU CA C 13 54.107 0.10 A 42 LEU CB C 13 43.548 0.08 A 42 LEU CDx C 13 20.504 0.01 A 42 LEU N N 15 121.916 0.07 A 43 SER H H 1 9.221 0.01 A 43 SER HA H 1 4.702 0.01 A 43 SER HBx H 1 4.032 0.00 A 43 SER HBy H 1 4.032 0.00 A 43 SER CA C 13 56.563 0.05 A 43 SER CB C 13 65.430 0.08 A 43 SER N N 15 118.516 0.04 A 44 THR HA H 1 3.894 0.01 A 44 THR HB H 1 4.265 0.01 A 44 THR HG2% H 1 1.276 0.01 A 44 THR C C 13 177.027 0.00 A 44 THR CA C 13 67.216 0.06 A 44 THR CB C 13 68.446 0.07 A 44 THR CG2 C 13 22.137 0.06 A 45 VAL H H 1 7.881 0.01 A 45 VAL HA H 1 3.601 0.01 A 45 VAL HB H 1 2.112 0.01 A 45 VAL HGx% H 1 1.037 0.01 A 45 VAL HGy% H 1 1.032 0.00 A 45 VAL C C 13 178.025 0.00 A 45 VAL CA C 13 65.565 0.08 A 45 VAL CB C 13 30.913 0.07 A 45 VAL CGy C 13 21.886 0.08 A 45 VAL CGx C 13 21.845 0.00 A 45 VAL N N 15 114.646 0.08 A 46 GLN H H 1 7.553 0.01 A 46 GLN HA H 1 4.198 0.01 A 46 GLN HBx H 1 2.638 0.01 A 46 GLN HBy H 1 2.638 0.01 A 46 GLN C C 13 178.097 0.00 A 46 GLN CA C 13 59.085 0.06 A 46 GLN CB C 13 29.841 0.06 A 46 GLN N N 15 122.139 0.04 A 47 LYS H H 1 7.894 0.01 A 47 LYS C C 13 178.825 0.00 A 47 LYS CA C 13 61.265 0.10 A 47 LYS CB C 13 31.979 0.08 A 47 LYS N N 15 117.673 0.10 A 48 LYS H H 1 7.908 0.01 A 48 LYS HEx H 1 2.804 0.00 A 48 LYS C C 13 179.756 0.00 A 48 LYS CA C 13 60.269 0.04 A 48 LYS CB C 13 31.281 0.00 A 48 LYS N N 15 117.077 0.05 A 49 ALA H H 1 8.133 0.00 A 49 ALA HA H 1 4.294 0.02 A 49 ALA HB% H 1 1.696 0.01 A 49 ALA C C 13 179.645 0.00 A 49 ALA CA C 13 55.679 0.13 A 49 ALA CB C 13 18.733 0.10 A 49 ALA N N 15 122.735 0.05 A 50 LEU H H 1 7.729 0.00 A 50 LEU HA H 1 4.118 0.00 A 50 LEU HDx% H 1 0.668 0.01 A 50 LEU C C 13 178.222 0.00 A 50 LEU CA C 13 57.907 0.07 A 50 LEU CB C 13 40.758 0.00 A 50 LEU CDx C 13 23.025 0.08 A 50 LEU N N 15 118.720 0.05 A 51 TYR H H 1 7.883 0.00 A 51 TYR HA H 1 3.959 0.00 A 51 TYR HBx H 1 3.166 0.01 A 51 TYR HBy H 1 3.166 0.01 A 51 TYR C C 13 180.220 0.00 A 51 TYR CA C 13 64.410 0.07 A 51 TYR CB C 13 37.383 0.10 A 51 TYR N N 15 119.414 0.09 A 52 PHE H H 1 8.195 0.00 A 52 PHE HA H 1 4.576 0.01 A 52 PHE HBy H 1 3.715 0.01 A 52 PHE HBx H 1 3.464 0.03 A 52 PHE HDx H 1 7.378 0.03 A 52 PHE HEx H 1 7.490 0.00 A 52 PHE C C 13 177.054 0.00 A 52 PHE CA C 13 61.919 0.11 A 52 PHE CB C 13 37.670 0.08 A 52 PHE CDx C 13 132.751 0.25 A 52 PHE N N 15 122.961 0.06 A 53 VAL H H 1 8.807 0.01 A 53 VAL HA H 1 3.346 0.00 A 53 VAL HB H 1 2.773 0.01 A 53 VAL HGx% H 1 1.281 0.02 A 53 VAL HGy% H 1 1.076 0.01 A 53 VAL C C 13 177.683 0.00 A 53 VAL CA C 13 66.838 0.13 A 53 VAL CB C 13 30.774 0.09 A 53 VAL CGy C 13 23.268 0.08 A 53 VAL CGx C 13 20.995 0.02 A 53 VAL N N 15 123.429 0.09 A 54 ASN H H 1 7.664 0.00 A 54 ASN HA H 1 4.527 0.01 A 54 ASN HBx H 1 2.851 0.01 A 54 ASN HBy H 1 2.851 0.01 A 54 ASN C C 13 177.480 0.00 A 54 ASN CA C 13 56.040 0.09 A 54 ASN CB C 13 37.973 0.11 A 54 ASN N N 15 118.803 0.04 A 55 ARG H H 1 7.220 0.01 A 55 ARG HA H 1 4.416 0.00 A 55 ARG C C 13 177.567 0.00 A 55 ARG CA C 13 61.232 0.10 A 55 ARG CB C 13 28.782 0.06 A 55 ARG N N 15 117.914 0.14 A 56 ARG H H 1 8.530 0.01 A 56 ARG HA H 1 4.422 0.00 A 56 ARG C C 13 178.836 0.00 A 56 ARG CA C 13 56.981 0.01 A 56 ARG CB C 13 29.439 0.06 A 56 ARG N N 15 120.051 0.07 A 57 TYR H H 1 9.405 0.02 A 57 TYR HA H 1 4.147 0.01 A 57 TYR HBx H 1 3.139 0.01 A 57 TYR HBy H 1 3.139 0.01 A 57 TYR HDx H 1 6.766 0.00 A 57 TYR HDy H 1 6.766 0.00 A 57 TYR HEx H 1 6.245 0.00 A 57 TYR HEy H 1 6.245 0.00 A 57 TYR C C 13 178.702 0.00 A 57 TYR CA C 13 62.521 0.05 A 57 TYR CB C 13 38.670 0.00 A 57 TYR CDx C 13 132.989 0.07 A 57 TYR CEx C 13 117.785 0.16 A 57 TYR N N 15 123.730 0.22 A 58 MET H H 1 7.800 0.01 A 58 MET HA H 1 4.444 0.01 A 58 MET HBx H 1 2.736 0.02 A 58 MET HBy H 1 2.736 0.02 A 58 MET HE% H 1 1.882 0.01 A 58 MET C C 13 177.416 0.00 A 58 MET CA C 13 60.308 0.06 A 58 MET CB C 13 32.291 0.15 A 58 MET CE C 13 17.259 0.02 A 58 MET N N 15 117.593 0.15 A 59 GLN H H 1 8.061 0.02 A 59 GLN HA H 1 3.997 0.03 A 59 GLN HBx H 1 2.026 0.01 A 59 GLN HBy H 1 2.026 0.01 A 59 GLN HGx H 1 2.296 0.01 A 59 GLN HGy H 1 2.296 0.01 A 59 GLN C C 13 179.813 0.00 A 59 GLN CA C 13 60.367 0.05 A 59 GLN CB C 13 30.058 0.11 A 59 GLN N N 15 114.725 0.15 A 60 THR H H 1 8.882 0.02 A 60 THR HA H 1 3.906 0.02 A 60 THR HB H 1 4.023 0.01 A 60 THR HG2% H 1 0.831 0.02 A 60 THR C C 13 175.963 0.00 A 60 THR CA C 13 65.437 0.15 A 60 THR CB C 13 69.208 0.08 A 60 THR CG2 C 13 20.908 0.00 A 60 THR N N 15 113.499 0.67 A 61 HIS H H 1 7.597 0.01 A 61 HIS C C 13 173.741 0.00 A 61 HIS CA C 13 57.267 0.09 A 61 HIS CB C 13 29.843 0.16 A 61 HIS N N 15 118.146 0.13 A 62 TRP H H 1 7.517 0.01 A 62 TRP HA H 1 4.201 0.01 A 62 TRP HBx H 1 3.147 0.02 A 62 TRP HBy H 1 3.147 0.02 A 62 TRP HD1 H 1 6.691 0.02 A 62 TRP HE1 H 1 7.603 0.02 A 62 TRP C C 13 176.579 0.00 A 62 TRP CA C 13 61.413 0.08 A 62 TRP CB C 13 30.092 0.08 A 62 TRP CD1 C 13 126.259 0.02 A 62 TRP N N 15 123.079 0.08 A 62 TRP NE1 N 15 125.993 0.04 A 63 ALA H H 1 8.751 0.01 A 63 ALA HA H 1 3.997 0.01 A 63 ALA HB% H 1 1.473 0.02 A 63 ALA C C 13 180.698 0.00 A 63 ALA CA C 13 55.386 0.09 A 63 ALA CB C 13 17.706 0.09 A 63 ALA N N 15 118.046 0.06 A 64 ASN H H 1 7.674 0.01 A 64 ASN C C 13 179.094 0.00 A 64 ASN CA C 13 56.184 0.07 A 64 ASN CB C 13 38.230 0.06 A 64 ASN N N 15 117.365 0.11 A 65 TYR H H 1 8.352 0.02 A 65 TYR C C 13 178.924 0.00 A 65 TYR CA C 13 58.091 0.04 A 65 TYR CB C 13 35.257 0.02 A 65 TYR N N 15 121.893 0.16 A 66 MET H H 1 8.653 0.01 A 66 MET HA H 1 4.386 0.02 A 66 MET HBx H 1 1.928 0.03 A 66 MET HBy H 1 1.928 0.03 A 66 MET HE% H 1 1.787 0.00 A 66 MET C C 13 178.609 0.00 A 66 MET CA C 13 56.039 0.09 A 66 MET CB C 13 30.460 0.08 A 66 MET CE C 13 15.951 0.03 A 66 MET N N 15 117.654 0.06 A 67 LEU H H 1 7.506 0.01 A 67 LEU C C 13 179.648 0.00 A 67 LEU CA C 13 58.268 0.08 A 67 LEU CB C 13 42.246 0.05 A 67 LEU N N 15 119.331 0.05 A 68 TRP H H 1 7.380 0.01 A 68 TRP HA H 1 4.261 0.02 A 68 TRP HBy H 1 3.630 0.02 A 68 TRP HBx H 1 3.465 0.01 A 68 TRP HE1 H 1 10.371 0.02 A 68 TRP C C 13 177.848 0.00 A 68 TRP CA C 13 61.866 0.06 A 68 TRP CB C 13 28.893 0.08 A 68 TRP N N 15 120.881 0.05 A 68 TRP NE1 N 15 130.757 0.17 A 69 ILE H H 1 9.269 0.11 A 69 ILE HA H 1 3.294 0.00 A 69 ILE HB H 1 2.180 0.02 A 69 ILE HD1% H 1 0.848 0.01 A 69 ILE HG1y H 1 1.897 0.01 A 69 ILE HG1x H 1 1.442 0.00 A 69 ILE HG2% H 1 0.990 0.02 A 69 ILE C C 13 177.541 0.00 A 69 ILE CA C 13 63.871 0.06 A 69 ILE CB C 13 37.778 0.07 A 69 ILE CD1 C 13 14.736 0.06 A 69 ILE CG2 C 13 17.596 0.02 A 69 ILE N N 15 119.098 0.54 A 70 ASN H H 1 8.763 0.01 A 70 ASN HA H 1 4.414 0.01 A 70 ASN HBx H 1 2.897 0.01 A 70 ASN HBy H 1 2.897 0.01 A 70 ASN CA C 13 56.174 0.12 A 70 ASN CB C 13 37.550 0.11 A 70 ASN N N 15 116.877 0.04 A 71 LYS H H 1 7.191 0.01 A 71 LYS HA H 1 4.095 0.01 A 71 LYS C C 13 179.703 0.00 A 71 LYS CA C 13 59.440 0.13 A 71 LYS CB C 13 32.132 0.01 A 71 LYS N N 15 119.222 0.05 A 72 LYS H H 1 7.597 0.01 A 72 LYS HA H 1 3.775 0.02 A 72 LYS HBx H 1 1.950 0.02 A 72 LYS HBy H 1 1.950 0.02 A 72 LYS C C 13 179.960 0.00 A 72 LYS CA C 13 57.224 0.11 A 72 LYS CB C 13 31.407 0.15 A 72 LYS N N 15 119.659 0.07 A 73 ILE H H 1 8.712 0.01 A 73 ILE HA H 1 3.665 0.00 A 73 ILE HB H 1 2.187 0.01 A 73 ILE HD1% H 1 -0.104 0.01 A 73 ILE HG1y H 1 1.395 0.02 A 73 ILE HG1x H 1 1.126 0.01 A 73 ILE HG2% H 1 0.871 0.01 A 73 ILE C C 13 180.303 0.00 A 73 ILE CA C 13 61.081 0.07 A 73 ILE CB C 13 35.015 0.07 A 73 ILE CD1 C 13 8.682 0.02 A 73 ILE CG1 C 13 26.534 0.02 A 73 ILE CG2 C 13 17.114 0.05 A 73 ILE N N 15 121.322 0.10 A 74 ASP H H 1 8.319 0.01 A 74 ASP HA H 1 4.387 0.01 A 74 ASP HBy H 1 2.756 0.04 A 74 ASP HBx H 1 2.680 0.03 A 74 ASP C C 13 177.919 0.00 A 74 ASP CA C 13 57.305 0.06 A 74 ASP CB C 13 40.492 0.09 A 74 ASP N N 15 122.296 0.05 A 75 ALA H H 1 7.211 0.01 A 75 ALA HA H 1 4.298 0.01 A 75 ALA HB% H 1 1.452 0.01 A 75 ALA C C 13 178.507 0.00 A 75 ALA CA C 13 52.591 0.05 A 75 ALA CB C 13 18.682 0.14 A 75 ALA N N 15 118.745 0.04 A 76 LEU H H 1 7.589 0.01 A 76 LEU HA H 1 4.049 0.02 A 76 LEU HBx H 1 1.980 0.01 A 76 LEU HBy H 1 1.980 0.01 A 76 LEU HDx% H 1 0.769 0.00 A 76 LEU HG H 1 1.372 0.00 A 76 LEU C C 13 179.350 0.00 A 76 LEU CA C 13 57.129 0.12 A 76 LEU CB C 13 43.417 0.04 A 76 LEU CDx C 13 22.412 0.01 A 76 LEU N N 15 117.899 0.06 A 77 GLY H H 1 7.833 0.01 A 77 GLY HAx H 1 3.826 0.00 A 77 GLY HAy H 1 3.826 0.00 A 77 GLY C C 13 172.946 0.00 A 77 GLY CA C 13 46.188 0.07 A 77 GLY N N 15 103.855 0.05 A 78 ARG H H 1 7.212 0.01 A 78 ARG HA H 1 4.726 0.01 A 78 ARG C C 13 174.600 0.00 A 78 ARG CA C 13 53.791 0.09 A 78 ARG CB C 13 31.072 0.02 A 78 ARG N N 15 112.145 0.05 A 79 THR H H 1 8.500 0.01 A 79 THR HA H 1 4.438 0.00 A 79 THR HB H 1 4.112 0.00 A 79 THR HG2% H 1 1.493 0.00 A 79 THR CA C 13 61.297 0.04 A 79 THR CB C 13 69.753 0.06 A 79 THR CG2 C 13 21.622 0.03 A 79 THR N N 15 118.337 0.05 A 80 PRO HA H 1 4.684 0.00 A 80 PRO HBy H 1 2.010 0.00 A 80 PRO HBx H 1 1.888 0.02 A 80 PRO HDx H 1 3.904 0.00 A 80 PRO HDy H 1 3.904 0.00 A 80 PRO C C 13 175.454 0.00 A 80 PRO CA C 13 62.187 0.04 A 80 PRO CB C 13 33.613 0.05 A 80 PRO CD C 13 49.960 0.00 A 81 VAL H H 1 9.162 0.00 A 81 VAL HA H 1 4.967 0.03 A 81 VAL HB H 1 2.609 0.01 A 81 VAL HGx% H 1 1.043 0.01 A 81 VAL HGy% H 1 0.890 0.01 A 81 VAL C C 13 178.536 0.00 A 81 VAL CA C 13 58.991 0.06 A 81 VAL CB C 13 35.839 0.07 A 81 VAL CGy C 13 22.027 0.04 A 81 VAL CGx C 13 19.003 0.01 A 81 VAL N N 15 112.581 0.04 A 82 VAL H H 1 9.182 0.01 A 82 VAL HA H 1 3.990 0.00 A 82 VAL HB H 1 2.386 0.00 A 82 VAL HGx% H 1 1.307 0.01 A 82 VAL HGy% H 1 1.175 0.01 A 82 VAL C C 13 177.796 0.00 A 82 VAL CA C 13 67.446 0.07 A 82 VAL CB C 13 31.589 0.06 A 82 VAL CGy C 13 23.131 0.02 A 82 VAL CGx C 13 20.330 0.03 A 82 VAL N N 15 123.037 0.04 A 83 GLY H H 1 8.860 0.05 A 83 GLY C C 13 176.652 0.00 A 83 GLY CA C 13 46.744 0.03 A 83 GLY N N 15 106.673 0.15 A 84 ASP H H 1 8.010 0.01 A 84 ASP HA H 1 4.393 0.00 A 84 ASP C C 13 177.866 0.00 A 84 ASP CA C 13 57.849 0.07 A 84 ASP CB C 13 41.298 0.05 A 84 ASP N N 15 120.604 0.07 A 85 TYR H H 1 7.292 0.02 A 85 TYR HA H 1 3.956 0.01 A 85 TYR HBx H 1 3.160 0.01 A 85 TYR HBy H 1 3.160 0.01 A 85 TYR HDx H 1 6.654 0.03 A 85 TYR HDy H 1 6.654 0.03 A 85 TYR C C 13 178.268 0.00 A 85 TYR CA C 13 63.151 0.06 A 85 TYR CB C 13 38.351 0.09 A 85 TYR CDx C 13 131.787 0.00 A 85 TYR N N 15 118.907 0.07 A 86 THR H H 1 8.714 0.01 A 86 THR HA H 1 3.845 0.02 A 86 THR HB H 1 4.276 0.02 A 86 THR HG2% H 1 1.294 0.02 A 86 THR C C 13 175.702 0.00 A 86 THR CA C 13 66.994 0.09 A 86 THR CB C 13 68.644 0.21 A 86 THR CG2 C 13 22.102 0.04 A 86 THR N N 15 118.891 0.06 A 87 ARG H H 1 7.649 0.00 A 87 ARG HA H 1 4.105 0.00 A 87 ARG HBx H 1 1.967 0.01 A 87 ARG HBy H 1 1.967 0.01 A 87 ARG HGx H 1 1.579 0.00 A 87 ARG HGy H 1 1.579 0.00 A 87 ARG C C 13 179.552 0.00 A 87 ARG CA C 13 59.761 0.07 A 87 ARG CB C 13 30.124 0.11 A 87 ARG N N 15 119.830 0.06 A 88 LEU H H 1 7.945 0.01 A 88 LEU HBx H 1 1.846 0.02 A 88 LEU HBy H 1 1.846 0.02 A 88 LEU HDx% H 1 0.545 0.02 A 88 LEU C C 13 179.315 0.00 A 88 LEU CA C 13 57.897 0.06 A 88 LEU CB C 13 38.181 5.59 A 88 LEU CDx C 13 27.039 0.02 A 88 LEU N N 15 119.808 0.09 A 89 GLY H H 1 9.053 0.01 A 89 GLY HAx H 1 3.754 0.01 A 89 GLY HAy H 1 3.754 0.01 A 89 GLY C C 13 174.827 0.00 A 89 GLY CA C 13 47.818 0.06 A 89 GLY N N 15 107.012 0.05 A 90 ALA H H 1 8.279 0.00 A 90 ALA HA H 1 4.106 0.01 A 90 ALA HB% H 1 1.582 0.01 A 90 ALA C C 13 180.381 0.00 A 90 ALA CA C 13 54.612 0.02 A 90 ALA CB C 13 17.654 0.10 A 90 ALA N N 15 123.279 0.04 A 91 GLU H H 1 7.868 0.01 A 91 GLU HA H 1 4.066 0.01 A 91 GLU HBx H 1 2.418 0.02 A 91 GLU HBy H 1 2.418 0.02 A 91 GLU HGx H 1 2.437 0.02 A 91 GLU HGy H 1 2.437 0.02 A 91 GLU C C 13 178.915 0.00 A 91 GLU CA C 13 59.891 0.06 A 91 GLU CB C 13 29.059 0.08 A 91 GLU CG C 13 36.296 0.00 A 91 GLU N N 15 119.928 0.07 A 92 ILE H H 1 7.864 0.00 A 92 ILE HA H 1 3.217 0.01 A 92 ILE HB H 1 1.608 0.01 A 92 ILE HD1% H 1 0.588 0.01 A 92 ILE HG1x H 1 0.317 0.01 A 92 ILE HG1y H 1 0.317 0.01 A 92 ILE HG2% H 1 0.213 0.01 A 92 ILE C C 13 177.568 0.00 A 92 ILE CA C 13 65.970 0.06 A 92 ILE CB C 13 37.543 0.09 A 92 ILE CD1 C 13 13.419 0.03 A 92 ILE CG1 C 13 29.244 0.02 A 92 ILE CG2 C 13 16.568 0.02 A 92 ILE N N 15 120.508 0.07 A 93 GLY H H 1 8.120 0.00 A 93 GLY HAx H 1 3.677 0.00 A 93 GLY HAy H 1 3.677 0.00 A 93 GLY C C 13 173.521 0.00 A 93 GLY CA C 13 47.138 0.03 A 93 GLY N N 15 101.837 0.11 A 94 ARG H H 1 7.468 0.01 A 94 ARG HA H 1 4.653 0.01 A 94 ARG HBy H 1 1.996 0.00 A 94 ARG HBx H 1 1.857 0.00 A 94 ARG HGx H 1 1.701 0.00 A 94 ARG HGy H 1 1.701 0.00 A 94 ARG C C 13 177.621 0.00 A 94 ARG CA C 13 56.231 0.05 A 94 ARG CB C 13 31.554 0.05 A 94 ARG N N 15 115.504 0.02 A 95 ARG H H 1 8.042 0.01 A 95 ARG N N 15 120.283 0.05 A 96 ILE HA H 1 3.987 0.01 A 96 ILE HB H 1 2.027 0.01 A 96 ILE HD1% H 1 0.800 0.00 A 96 ILE HG2% H 1 0.675 0.01 A 96 ILE CA C 13 60.094 0.02 A 96 ILE CB C 13 37.009 0.10 A 96 ILE CD1 C 13 11.681 0.00 A 96 ILE CG2 C 13 17.511 0.02 A 98 MET C C 13 176.871 0.00 A 98 MET CA C 13 54.904 0.00 A 98 MET CB C 13 31.289 0.00 A 99 ALA H H 1 7.938 0.01 A 99 ALA HA H 1 3.598 0.01 A 99 ALA HB% H 1 1.603 0.01 A 99 ALA C C 13 178.099 0.00 A 99 ALA CA C 13 55.649 0.05 A 99 ALA CB C 13 18.157 0.12 A 99 ALA N N 15 122.092 0.08 A 100 TYR H H 1 7.236 0.01 A 100 TYR C C 13 177.752 0.00 A 100 TYR CA C 13 59.913 0.03 A 100 TYR CB C 13 38.007 0.00 A 100 TYR N N 15 113.674 0.04 A 101 PHE H H 1 6.950 0.00 A 101 PHE HA H 1 4.079 0.00 A 101 PHE HDx H 1 6.888 0.01 A 101 PHE C C 13 177.232 0.00 A 101 PHE CA C 13 59.597 0.11 A 101 PHE CB C 13 38.740 0.00 A 101 PHE CDx C 13 130.126 0.11 A 101 PHE N N 15 122.527 0.12 A 102 TYR H H 1 7.499 0.00 A 102 TYR HBx H 1 2.660 0.01 A 102 TYR HBy H 1 2.660 0.01 A 102 TYR C C 13 178.109 0.00 A 102 TYR CA C 13 58.128 0.04 A 102 TYR CB C 13 33.734 0.07 A 102 TYR N N 15 119.426 0.05 A 103 ASP H H 1 8.426 0.01 A 103 ASP HA H 1 3.960 0.02 A 103 ASP HBx H 1 2.995 0.05 A 103 ASP HBy H 1 2.995 0.05 A 103 ASP C C 13 177.818 0.00 A 103 ASP CA C 13 57.883 0.08 A 103 ASP CB C 13 40.706 0.13 A 103 ASP N N 15 116.100 0.05 A 104 ALA H H 1 7.304 0.01 A 104 ALA HA H 1 4.118 0.01 A 104 ALA HB% H 1 1.354 0.01 A 104 ALA C C 13 180.121 0.00 A 104 ALA CA C 13 55.015 0.10 A 104 ALA CB C 13 17.911 0.11 A 104 ALA N N 15 121.545 0.07 A 105 LEU H H 1 7.945 0.02 A 105 LEU C C 13 179.171 0.00 A 105 LEU CA C 13 57.741 0.06 A 105 LEU N N 15 116.687 0.22 A 106 LYS H H 1 8.471 0.01 A 106 LYS C C 13 180.482 0.00 A 106 LYS CA C 13 59.659 0.09 A 106 LYS CB C 13 32.816 0.03 A 106 LYS N N 15 118.635 0.05 A 107 ASP H H 1 9.247 0.01 A 107 ASP HA H 1 4.449 0.01 A 107 ASP HBx H 1 2.847 0.01 A 107 ASP HBy H 1 2.847 0.01 A 107 ASP C C 13 178.105 0.00 A 107 ASP CA C 13 57.493 0.12 A 107 ASP CB C 13 40.832 0.08 A 107 ASP N N 15 120.716 0.06 A 108 LYS H H 1 7.664 0.01 A 108 LYS HA H 1 4.422 0.00 A 108 LYS C C 13 175.648 0.00 A 108 LYS CA C 13 55.371 0.13 A 108 LYS CB C 13 32.269 0.00 A 108 LYS N N 15 114.855 0.12 A 109 ASN H H 1 8.167 0.45 A 109 ASN HA H 1 4.651 0.01 A 109 ASN HBy H 1 3.236 0.00 A 109 ASN HBx H 1 2.811 0.00 A 109 ASN HD2y H 1 7.629 0.00 A 109 ASN HD2x H 1 6.911 0.01 A 109 ASN C C 13 175.632 0.00 A 109 ASN CA C 13 54.260 0.12 A 109 ASN CB C 13 36.748 0.09 A 109 ASN CG C 13 178.685 0.01 A 109 ASN N N 15 116.770 0.63 A 109 ASN ND2 N 15 112.206 0.06 A 110 MET H H 1 9.017 0.01 A 110 MET HA H 1 4.733 0.01 A 110 MET HBx H 1 1.670 0.01 A 110 MET HBy H 1 1.670 0.01 A 110 MET HE% H 1 1.928 0.00 A 110 MET HGy H 1 2.605 0.01 A 110 MET HGx H 1 2.476 0.04 A 110 MET C C 13 176.117 0.00 A 110 MET CA C 13 54.198 0.09 A 110 MET CB C 13 34.550 0.08 A 110 MET CE C 13 17.924 0.00 A 110 MET CG C 13 32.020 0.03 A 110 MET N N 15 115.652 0.03 A 111 ILE H H 1 8.322 0.01 A 111 ILE HA H 1 3.876 0.01 A 111 ILE HB H 1 2.057 0.02 A 111 ILE HD1% H 1 0.953 0.01 A 111 ILE HG1x H 1 1.733 0.01 A 111 ILE HG1y H 1 1.733 0.01 A 111 ILE HG2% H 1 1.046 0.00 A 111 ILE CA C 13 61.980 0.04 A 111 ILE CB C 13 37.400 0.05 A 111 ILE CD1 C 13 14.062 0.02 A 111 ILE CG1 C 13 27.054 0.00 A 111 ILE CG2 C 13 17.262 0.04 A 111 ILE N N 15 124.500 0.10 A 112 PRO HA H 1 4.315 0.01 A 112 PRO HBx H 1 1.950 0.01 A 112 PRO HBy H 1 1.950 0.01 A 112 PRO C C 13 175.720 0.00 A 112 PRO CA C 13 63.339 0.05 A 112 PRO CB C 13 32.272 0.10 A 113 LYS H H 1 8.034 0.01 A 113 LYS HA H 1 4.047 0.01 A 113 LYS HBx H 1 1.798 0.02 A 113 LYS HBy H 1 1.798 0.02 A 113 LYS HGx H 1 1.591 0.01 A 113 LYS HGy H 1 1.591 0.01 A 113 LYS C C 13 176.047 0.00 A 113 LYS CA C 13 56.717 0.04 A 113 LYS CB C 13 32.218 0.11 A 113 LYS N N 15 121.663 0.07 A 114 TYR H H 1 8.262 0.01 A 114 TYR HA H 1 4.671 0.01 A 114 TYR HBx H 1 2.926 0.02 A 114 TYR HBy H 1 2.926 0.02 A 114 TYR HDx H 1 6.891 0.01 A 114 TYR HDy H 1 6.891 0.01 A 114 TYR HEx H 1 6.552 0.00 A 114 TYR HEy H 1 6.552 0.00 A 114 TYR C C 13 175.201 0.00 A 114 TYR CA C 13 58.167 0.08 A 114 TYR CB C 13 39.770 0.07 A 114 TYR CDx C 13 132.718 0.06 A 114 TYR CEx C 13 117.599 0.06 A 114 TYR N N 15 126.455 0.06 A 115 LEU H H 1 7.408 0.01 A 115 LEU HA H 1 4.791 0.01 A 115 LEU HBx H 1 1.678 0.01 A 115 LEU HBy H 1 1.678 0.01 A 115 LEU HDx% H 1 0.962 0.01 A 115 LEU HDy% H 1 0.864 0.01 A 115 LEU HG H 1 1.821 0.00 A 115 LEU CA C 13 52.365 0.09 A 115 LEU CB C 13 39.933 0.00 A 115 LEU CDy C 13 26.640 0.03 A 115 LEU CDx C 13 23.497 0.04 A 115 LEU CG C 13 27.223 0.02 A 115 LEU N N 15 131.587 0.05 A 117 TYR HA H 1 4.419 0.02 A 117 TYR HBy H 1 3.271 0.02 A 117 TYR HBx H 1 2.974 0.00 A 117 TYR HDx H 1 7.034 0.00 A 117 TYR HDy H 1 7.034 0.00 A 117 TYR HEx H 1 6.844 0.00 A 117 TYR HEy H 1 6.844 0.00 A 117 TYR C C 13 177.114 0.00 A 117 TYR CA C 13 59.909 0.03 A 117 TYR CB C 13 35.643 0.03 A 117 TYR CDx C 13 133.146 0.02 A 117 TYR CEx C 13 118.158 0.00 A 118 MET H H 1 7.002 0.01 A 118 MET HA H 1 3.382 0.01 A 118 MET HBx H 1 1.312 0.01 A 118 MET HBy H 1 1.312 0.01 A 118 MET C C 13 177.392 0.00 A 118 MET CA C 13 57.456 0.15 A 118 MET CB C 13 32.377 0.09 A 118 MET N N 15 121.261 0.07 A 119 GLU H H 1 6.625 0.01 A 119 GLU HA H 1 4.337 0.01 A 119 GLU HBx H 1 2.011 0.01 A 119 GLU HBy H 1 2.011 0.01 A 119 GLU HGx H 1 2.296 0.00 A 119 GLU HGy H 1 2.296 0.00 A 119 GLU C C 13 178.146 0.00 A 119 GLU CA C 13 58.785 0.07 A 119 GLU CB C 13 28.470 0.02 A 119 GLU CG C 13 36.303 0.00 A 119 GLU N N 15 120.508 0.06 A 120 GLU H H 1 7.622 0.01 A 120 GLU HA H 1 3.966 0.02 A 120 GLU HBx H 1 2.149 0.00 A 120 GLU HBy H 1 2.149 0.00 A 120 GLU HGx H 1 2.320 0.00 A 120 GLU HGy H 1 2.320 0.00 A 120 GLU C C 13 179.322 0.00 A 120 GLU CA C 13 59.446 0.08 A 120 GLU CB C 13 29.366 0.08 A 120 GLU CG C 13 36.234 0.00 A 120 GLU N N 15 117.052 0.13 A 121 ILE H H 1 7.315 0.01 A 121 ILE HA H 1 4.234 0.01 A 121 ILE HB H 1 2.386 0.01 A 121 ILE HD1% H 1 1.136 0.01 A 121 ILE HG1y H 1 1.946 0.00 A 121 ILE HG1x H 1 1.689 0.00 A 121 ILE HG2% H 1 1.132 0.01 A 121 ILE C C 13 178.489 0.00 A 121 ILE CA C 13 62.902 0.08 A 121 ILE CB C 13 37.256 0.10 A 121 ILE CD1 C 13 11.558 0.02 A 121 ILE CG2 C 13 17.574 0.03 A 121 ILE N N 15 118.923 0.08 A 122 ASN H H 1 8.613 0.01 A 122 ASN HA H 1 4.629 0.03 A 122 ASN HBx H 1 3.018 0.02 A 122 ASN HBy H 1 3.018 0.02 A 122 ASN C C 13 177.641 0.00 A 122 ASN CA C 13 55.058 0.05 A 122 ASN CB C 13 38.603 0.07 A 122 ASN N N 15 121.017 0.03 A 123 ARG H H 1 7.927 0.01 A 123 ARG HA H 1 4.252 0.02 A 123 ARG HBx H 1 1.934 0.02 A 123 ARG HBy H 1 1.934 0.02 A 123 ARG C C 13 177.322 0.00 A 123 ARG CA C 13 56.822 0.03 A 123 ARG CB C 13 31.019 0.12 A 123 ARG N N 15 117.094 0.02 A 124 MET H H 1 7.336 0.01 A 124 MET HA H 1 4.288 0.01 A 124 MET HBx H 1 2.102 0.01 A 124 MET HBy H 1 2.102 0.01 A 124 MET HE% H 1 2.112 0.00 A 124 MET HGx H 1 3.124 0.01 A 124 MET HGy H 1 3.124 0.01 A 124 MET C C 13 177.412 0.00 A 124 MET CA C 13 56.510 0.04 A 124 MET CB C 13 33.231 0.10 A 124 MET CE C 13 17.663 0.00 A 124 MET CG C 13 32.404 0.05 A 124 MET N N 15 119.538 0.02 A 125 ARG H H 1 9.141 0.01 A 125 ARG HA H 1 4.549 0.02 A 125 ARG HBy H 1 2.133 0.02 A 125 ARG HBx H 1 1.772 0.00 A 125 ARG HGx H 1 1.742 0.00 A 125 ARG HGy H 1 1.742 0.00 A 125 ARG CA C 13 55.145 0.03 A 125 ARG CB C 13 28.805 0.03 A 125 ARG CG C 13 25.370 0.07 A 125 ARG N N 15 124.113 0.04 A 126 PRO C C 13 176.832 0.00 A 126 PRO CA C 13 66.057 0.01 A 126 PRO CB C 13 32.741 0.00 A 127 ALA H H 1 8.158 0.01 A 127 ALA HA H 1 3.848 0.00 A 127 ALA HB% H 1 1.353 0.01 A 127 ALA C C 13 178.584 0.00 A 127 ALA CA C 13 54.775 0.05 A 127 ALA CB C 13 20.729 0.09 A 127 ALA N N 15 112.987 0.02 A 128 ASP H H 1 8.245 0.01 A 128 ASP HA H 1 4.733 0.01 A 128 ASP HBx H 1 2.986 0.00 A 128 ASP HBy H 1 2.986 0.00 A 128 ASP C C 13 176.334 0.00 A 128 ASP CA C 13 53.919 0.09 A 128 ASP CB C 13 42.259 0.07 A 128 ASP N N 15 115.830 0.03 A 129 VAL H H 1 7.256 0.01 A 129 VAL HA H 1 4.198 0.02 A 129 VAL HB H 1 1.944 0.01 A 129 VAL HGx% H 1 1.121 0.01 A 129 VAL HGy% H 1 0.817 0.01 A 129 VAL CA C 13 61.760 0.06 A 129 VAL CB C 13 32.564 0.02 A 129 VAL CGy C 13 23.774 0.07 A 129 VAL CGx C 13 20.853 0.01 A 129 VAL N N 15 124.069 0.07 A 130 PRO HA H 1 4.513 0.01 A 130 PRO HBy H 1 2.224 0.00 A 130 PRO HBx H 1 1.810 0.02 A 130 PRO HDx H 1 3.056 0.00 A 130 PRO HDy H 1 3.056 0.00 A 130 PRO C C 13 176.796 0.00 A 130 PRO CA C 13 63.169 0.05 A 130 PRO CB C 13 32.445 0.14 A 131 VAL H H 1 8.071 0.01 A 131 VAL HA H 1 4.398 0.02 A 131 VAL HB H 1 0.466 0.03 A 131 VAL HGx% H 1 -0.158 0.02 A 131 VAL HGy% H 1 -0.252 0.01 A 131 VAL CA C 13 58.917 0.08 A 131 VAL CB C 13 34.861 0.05 A 131 VAL CGy C 13 22.103 0.02 A 131 VAL CGx C 13 16.368 0.07 A 131 VAL N N 15 114.143 0.07 A 132 LYS H H 1 8.023 0.01 A 132 LYS C C 13 175.683 0.00 A 132 LYS CA C 13 54.715 0.03 A 132 LYS CB C 13 35.004 0.04 A 132 LYS N N 15 120.964 0.03 A 133 TYR H H 1 8.927 0.01 A 133 TYR HA H 1 4.659 0.00 A 133 TYR HBy H 1 3.165 0.01 A 133 TYR HBx H 1 3.030 0.03 A 133 TYR HDx H 1 7.417 0.01 A 133 TYR HDy H 1 7.417 0.01 A 133 TYR HEx H 1 7.171 0.01 A 133 TYR HEy H 1 7.171 0.01 A 133 TYR C C 13 174.740 0.00 A 133 TYR CA C 13 59.338 0.10 A 133 TYR CB C 13 39.179 0.09 A 133 TYR CDx C 13 134.148 0.05 A 133 TYR CEx C 13 118.347 0.07 A 133 TYR N N 15 122.735 0.05 A 134 MET H H 1 7.880 0.01 A 134 MET HA H 1 4.334 0.01 A 134 MET HBx H 1 2.098 0.03 A 134 MET HBy H 1 2.098 0.03 A 134 MET HE% H 1 2.129 0.01 A 134 MET HGx H 1 2.530 0.02 A 134 MET HGy H 1 2.530 0.02 A 134 MET CA C 13 56.805 0.07 A 134 MET CB C 13 34.226 0.06 A 134 MET CE C 13 17.220 0.25 A 134 MET CG C 13 32.013 0.04 A 134 MET N N 15 123.560 0.06 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 89 GLY H A 90 ALA H 1.0 0.0 4.38 2 2 A 89 GLY H A 88 LEU H 1.0 0.0 4.16 3 3 A 85 TYR H A 86 THR H 1.0 0.0 3.96 4 4 A 86 THR H A 87 ARG H 1.0 0.0 2.99 5 5 A 102 TYR H A 103 ASP H 1.0 0.0 4.36 6 6 A 66 MET H A 67 LEU H 1.0 0.0 3.24 7 7 A 102 TYR H A 101 PHE H 1.0 0.0 4.43 8 8 A 27 PHE H A 27 PHE HD% 1.0 0.0 5.05 9 9 A 15 PHE HE% A 82 VAL H 1.0 0.0 4.56 10 10 A 64 ASN H A 65 TYR H 1.0 0.0 3.04 11 11 A 64 ASN H A 63 ALA H 1.0 0.0 4.47 12 12 A 105 LEU H A 106 LYS H 1.0 0.0 5.14 13 13 A 103 ASP H A 104 ALA H 1.0 0.0 4.43 14 14 A 72 LYS H A 73 ILE H 1.0 0.0 3.06 15 15 A 33 LYS H A 34 TRP H 1.0 0.0 3.04 16 16 A 33 LYS H A 32 VAL H 1.0 0.0 3.83 17 17 A 118 MET H A 119 GLU H 1.0 0.0 4.11 18 18 A 24 ILE H A 25 ALA H 1.0 0.0 4.23 19 19 A 25 ALA H A 26 GLY H 1.0 0.0 4.44 20 20 A 114 TYR HD% A 115 LEU H 1.0 0.0 4.70 21 21 A 133 TYR H A 133 TYR HD% 1.0 0.0 4.40 22 22 A 85 TYR H A 85 TYR HD% 1.0 0.0 4.10 23 23 A 121 ILE H A 121 ILE HG2% 1.0 0.0 3.90 24 24 A 121 ILE H A 120 GLU HBx 1.0 0.0 2.99 25 24 A 121 ILE H A 120 GLU HBy 1.0 0.0 2.99 26 25 A 25 ALA H A 25 ALA HB% 1.0 0.0 3.22 27 26 A 75 ALA H A 76 LEU H 1.0 0.0 4.23 28 27 A 105 LEU H A 104 ALA H 1.0 0.0 4.45 29 28 A 106 LYS H A 107 ASP H 1.0 0.0 5.21 30 29 A 107 ASP H A 108 LYS H 1.0 0.0 4.32 31 30 A 94 ARG H A 95 ARG H 1.0 0.0 2.93 32 31 A 45 VAL H A 46 GLN H 1.0 0.0 4.85 33 32 A 46 GLN H A 47 LYS H 1.0 0.0 5.37 34 33 A 90 ALA H A 91 GLU H 1.0 0.0 3.85 35 34 A 119 GLU H A 120 GLU H 1.0 0.0 4.24 36 35 A 110 MET H A 111 ILE H 1.0 0.0 4.40 37 36 A 53 VAL H A 54 ASN H 1.0 0.0 4.39 38 37 A 6 VAL HB A 7 GLU H 1.0 0.0 4.57 39 38 A 129 VAL H A 129 VAL HB 1.0 0.0 3.78 40 39 A 15 PHE H A 16 GLU H 1.0 0.0 2.82 41 40 A 15 PHE H A 15 PHE HBx 1.0 0.0 4.10 42 40 A 15 PHE H A 15 PHE HBy 1.0 0.0 4.10 43 41 A 16 GLU H A 14 ALA HA 1.0 0.0 3.98 44 42 A 88 LEU H A 88 LEU HBx 1.0 0.0 2.64 45 42 A 88 LEU H A 88 LEU HBy 1.0 0.0 2.64 46 43 A 21 VAL H A 21 VAL HB 1.0 0.0 3.72 47 44 A 17 VAL HB A 18 ALA H 1.0 0.0 4.26 48 45 A 53 VAL H A 50 LEU HA 1.0 0.0 3.97 49 46 A 23 ILE H A 23 ILE HG1x 1.0 0.0 3.64 50 46 A 23 ILE H A 23 ILE HG1y 1.0 0.0 3.64 51 47 A 25 ALA H A 24 ILE HB 1.0 0.0 3.45 52 48 A 36 ARG H A 36 ARG HBx 1.0 0.0 3.57 53 48 A 36 ARG H A 36 ARG HBy 1.0 0.0 3.57 54 49 A 33 LYS H A 33 LYS HBx 1.0 0.0 2.55 55 49 A 33 LYS H A 33 LYS HBy 1.0 0.0 2.55 56 50 A 27 PHE H A 23 ILE HA 1.0 0.0 4.56 57 51 A 28 ASP H A 29 ARG H 1.0 0.0 4.36 58 52 A 28 ASP H A 24 ILE HG2% 1.0 0.0 5.50 59 53 A 86 THR H A 86 THR HB 1.0 0.0 3.93 60 54 A 69 ILE H A 69 ILE HG2% 1.0 0.0 4.78 61 55 A 45 VAL H A 44 THR HB 1.0 0.0 5.11 62 56 A 45 VAL H A 46 GLN HA 1.0 0.0 5.25 63 57 A 113 LYS HA A 114 TYR H 1.0 0.0 2.91 64 58 A 78 ARG H A 76 LEU HBx 1.0 0.0 4.21 65 58 A 76 LEU HBy A 78 ARG H 1.0 0.0 4.21 66 59 A 76 LEU H A 76 LEU HA 1.0 0.0 2.82 67 60 A 58 MET H A 58 MET HBx 1.0 0.0 3.35 68 60 A 58 MET H A 58 MET HBy 1.0 0.0 3.35 69 61 A 37 VAL HB A 38 HIS H 1.0 0.0 5.21 70 62 A 76 LEU H A 76 LEU HG 1.0 0.0 4.17 71 63 A 63 ALA H A 63 ALA HB% 1.0 0.0 3.51 72 64 A 55 ARG H A 56 ARG H 1.0 0.0 4.04 73 65 A 110 MET H A 109 ASN H 1.0 0.0 4.02 74 66 A 15 PHE H A 14 ALA H 1.0 0.0 2.82 75 67 A 14 ALA H A 14 ALA HB% 1.0 0.0 3.47 76 68 A 16 GLU H A 17 VAL H 1.0 0.0 3.59 77 69 A 18 ALA H A 17 VAL H 1.0 0.0 4.83 78 70 A 17 VAL HB A 17 VAL H 1.0 0.0 4.07 79 71 A 18 ALA H A 18 ALA HA 1.0 0.0 2.82 80 72 A 18 ALA H A 18 ALA HB% 1.0 0.0 2.76 81 73 A 19 LEU H A 20 LYS H 1.0 0.0 4.06 82 74 A 21 VAL H A 22 GLN H 1.0 0.0 4.21 83 75 A 22 GLN H A 23 ILE HG1x 1.0 0.0 4.23 84 75 A 23 ILE HG1y A 22 GLN H 1.0 0.0 4.23 85 76 A 24 ILE H A 23 ILE H 1.0 0.0 4.21 86 77 A 24 ILE H A 23 ILE HG1x 1.0 0.0 4.22 87 77 A 24 ILE H A 23 ILE HG1y 1.0 0.0 4.22 88 78 A 30 GLY H A 31 LEU H 1.0 0.0 4.58 89 79 A 73 ILE H A 73 ILE HB 1.0 0.0 3.52 90 80 A 33 LYS H A 33 LYS HA 1.0 0.0 2.91 91 81 A 33 LYS H A 32 VAL HA 1.0 0.0 3.56 92 82 A 33 LYS H A 36 ARG HGx 1.0 0.0 5.50 93 82 A 33 LYS H A 36 ARG HGy 1.0 0.0 5.50 94 83 A 35 LEU H A 34 TRP HBx 1.0 0.0 3.75 95 83 A 34 TRP HBy A 35 LEU H 1.0 0.0 3.75 96 84 A 90 ALA H A 90 ALA HB% 1.0 0.0 3.50 97 85 A 34 TRP H A 35 LEU H 1.0 0.0 4.27 98 86 A 36 ARG H A 35 LEU H 1.0 0.0 3.33 99 87 A 36 ARG H A 37 VAL H 1.0 0.0 4.07 100 88 A 38 HIS H A 37 VAL H 1.0 0.0 4.31 101 89 A 37 VAL H A 36 ARG HBx 1.0 0.0 4.07 102 89 A 36 ARG HBy A 37 VAL H 1.0 0.0 4.07 103 90 A 37 VAL HB A 37 VAL H 1.0 0.0 3.97 104 91 A 38 HIS H A 39 GLY H 1.0 0.0 4.39 105 92 A 41 THR HA A 42 LEU H 1.0 0.0 3.14 106 93 A 104 ALA H A 102 TYR HBx 1.0 0.0 4.80 107 93 A 104 ALA H A 102 TYR HBy 1.0 0.0 4.80 108 94 A 49 ALA H A 49 ALA HB% 1.0 0.0 3.76 109 95 A 63 ALA H A 62 TRP HBx 1.0 0.0 4.66 110 95 A 63 ALA H A 62 TRP HBy 1.0 0.0 4.66 111 96 A 69 ILE H A 70 ASN H 1.0 0.0 4.60 112 97 A 69 ILE H A 68 TRP H 1.0 0.0 3.44 113 98 A 70 ASN H A 71 LYS H 1.0 0.0 4.14 114 99 A 70 ASN H A 70 ASN HBx 1.0 0.0 3.68 115 99 A 70 ASN H A 70 ASN HBy 1.0 0.0 3.68 116 100 A 70 ASN H A 69 ILE HB 1.0 0.0 4.22 117 101 A 69 ILE HG2% A 70 ASN H 1.0 0.0 4.15 118 102 A 75 ALA H A 74 ASP H 1.0 0.0 2.78 119 103 A 81 VAL H A 81 VAL HB 1.0 0.0 3.77 120 104 A 81 VAL HB A 84 ASP H 1.0 0.0 5.18 121 105 A 86 THR H A 85 TYR HD% 1.0 0.0 4.96 122 106 A 86 THR H A 85 TYR HBx 1.0 0.0 4.28 123 106 A 86 THR H A 85 TYR HBy 1.0 0.0 4.28 124 107 A 86 THR H A 87 ARG HBx 1.0 0.0 4.93 125 107 A 86 THR H A 87 ARG HBy 1.0 0.0 4.93 126 108 A 86 THR H A 86 THR HG2% 1.0 0.0 2.77 127 109 A 87 ARG H A 87 ARG HBx 1.0 0.0 3.29 128 109 A 87 ARG H A 87 ARG HBy 1.0 0.0 3.29 129 110 A 92 ILE H A 92 ILE HG2% 1.0 0.0 5.06 130 111 A 99 ALA H A 100 TYR H 1.0 0.0 4.22 131 112 A 99 ALA H A 99 ALA HB% 1.0 0.0 3.95 132 113 A 103 ASP H A 102 TYR HBx 1.0 0.0 3.99 133 113 A 103 ASP H A 102 TYR HBy 1.0 0.0 3.99 134 114 A 111 ILE H A 111 ILE HB 1.0 0.0 2.88 135 115 A 111 ILE H A 111 ILE HG1x 1.0 0.0 2.92 136 115 A 111 ILE H A 111 ILE HG1y 1.0 0.0 2.92 137 116 A 111 ILE H A 111 ILE HD1% 1.0 0.0 3.88 138 117 A 114 TYR H A 114 TYR HA 1.0 0.0 2.73 139 118 A 114 TYR H A 45 VAL HB 1.0 0.0 5.50 140 119 A 121 ILE H A 122 ASN H 1.0 0.0 3.91 141 120 A 122 ASN H A 123 ARG H 1.0 0.0 3.04 142 121 A 122 ASN H A 121 ILE HB 1.0 0.0 5.09 143 122 A 129 VAL H A 128 ASP H 1.0 0.0 3.87 144 123 A 128 ASP H A 128 ASP HBx 1.0 0.0 4.05 145 123 A 128 ASP H A 128 ASP HBy 1.0 0.0 4.05 146 124 A 129 VAL H A 129 VAL HGx% 1.0 0.0 3.80 147 125 A 129 VAL H A 129 VAL HGy% 1.0 0.0 3.80 148 126 A 130 PRO HA A 131 VAL H 1.0 0.0 3.09 149 127 A 134 MET H A 134 MET HGx 1.0 0.0 3.87 150 127 A 134 MET H A 134 MET HGy 1.0 0.0 3.87 151 128 A 63 ALA HB% A 134 MET H 1.0 0.0 5.01 152 129 A 27 PHE H A 26 GLY H 1.0 0.0 4.05 153 130 A 92 ILE HB A 93 GLY H 1.0 0.0 3.95 154 131 A 27 PHE H A 28 ASP H 1.0 0.0 5.13 155 132 A 75 ALA H A 75 ALA HB% 1.0 0.0 2.94 156 133 A 124 MET H A 124 MET HGx 1.0 0.0 2.95 157 133 A 124 MET H A 124 MET HGy 1.0 0.0 2.95 158 134 A 110 MET H A 110 MET HBx 1.0 0.0 4.19 159 134 A 110 MET H A 110 MET HBy 1.0 0.0 4.19 160 135 A 119 GLU H A 119 GLU HBx 1.0 0.0 4.07 161 135 A 119 GLU H A 119 GLU HBy 1.0 0.0 4.07 162 136 A 59 GLN H A 59 GLN HGx 1.0 0.0 2.97 163 136 A 59 GLN H A 59 GLN HGy 1.0 0.0 2.97 164 137 A 68 TRP H A 68 TRP HBx 1.0 0.0 3.87 165 138 A 68 TRP H A 68 TRP HBy 1.0 0.0 3.87 166 139 A 73 ILE H A 74 ASP H 1.0 0.0 4.30 167 140 A 76 LEU H A 76 LEU HBx 1.0 0.0 2.53 168 140 A 76 LEU H A 76 LEU HBy 1.0 0.0 2.53 169 141 A 79 THR H A 79 THR HG2% 1.0 0.0 3.31 170 142 A 85 TYR H A 84 ASP H 1.0 0.0 2.69 171 143 A 133 TYR H A 134 MET H 1.0 0.0 4.85 172 144 A 26 GLY H A 25 ALA HB% 1.0 0.0 3.94 173 145 A 63 ALA HB% A 3 TRP HE1 1.0 0.0 5.50 174 146 A 73 ILE HA A 73 ILE HD1% 1.0 0.0 4.26 175 147 A 134 MET HE% A 134 MET HGx 1.0 0.0 3.56 176 147 A 134 MET HGy A 134 MET HE% 1.0 0.0 3.56 177 148 A 63 ALA HB% A 134 MET HA 1.0 0.0 5.49 178 149 A 41 THR HG2% A 40 ARG HBx 1.0 0.0 3.68 179 149 A 40 ARG HBy A 41 THR HG2% 1.0 0.0 3.68 180 150 A 41 THR HG2% A 40 ARG HGx 1.0 0.0 2.87 181 150 A 41 THR HG2% A 40 ARG HGy 1.0 0.0 2.87 182 151 A 41 THR HG2% A 40 ARG HDx 1.0 0.0 4.35 183 151 A 41 THR HG2% A 40 ARG HDy 1.0 0.0 4.35 184 152 A 111 ILE HA A 111 ILE HG2% 1.0 0.0 3.45 185 153 A 18 ALA HB% A 17 VAL HA 1.0 0.0 5.19 186 154 A 18 ALA HB% A 82 VAL HGy% 1.0 0.0 3.13 187 155 A 114 TYR HD% A 49 ALA HB% 1.0 0.0 3.83 188 156 A 18 ALA HB% A 82 VAL HA 1.0 0.0 4.88 189 157 A 7 GLU HA A 8 PRO HDx 1.0 0.0 3.79 190 157 A 7 GLU HA A 8 PRO HDy 1.0 0.0 3.79 191 158 A 79 THR HA A 80 PRO HDx 1.0 0.0 3.48 192 158 A 79 THR HA A 80 PRO HDy 1.0 0.0 3.48 193 159 A 92 ILE HG2% A 92 ILE HA 1.0 0.0 3.12 194 160 A 92 ILE HG2% A 23 ILE HD1% 1.0 0.0 3.90 195 161 A 92 ILE HG2% A 92 ILE HD1% 1.0 0.0 3.81 196 162 A 24 ILE HB A 24 ILE HD1% 1.0 0.0 3.25 197 163 A 24 ILE HD1% A 24 ILE HA 1.0 0.0 4.21 198 164 A 7 GLU HA A 7 GLU HGx 1.0 0.0 3.52 199 164 A 7 GLU HA A 7 GLU HGy 1.0 0.0 3.52 200 165 A 9 LYS HA A 9 LYS HBx 1.0 0.0 2.74 201 165 A 9 LYS HA A 9 LYS HBy 1.0 0.0 2.74 202 166 A 14 ALA HB% A 15 PHE HA 1.0 0.0 5.48 203 167 A 124 MET HA A 124 MET HBx 1.0 0.0 2.73 204 167 A 124 MET HA A 124 MET HBy 1.0 0.0 2.73 205 168 A 123 ARG HA A 123 ARG HBx 1.0 0.0 3.02 206 168 A 123 ARG HA A 123 ARG HBy 1.0 0.0 3.02 207 169 A 18 ALA HB% A 82 VAL HGx% 1.0 0.0 3.13 208 170 A 81 VAL HA A 81 VAL HGx% 1.0 0.0 3.98 209 171 A 14 ALA HA A 15 PHE HBx 1.0 0.0 5.45 210 171 A 15 PHE HBy A 14 ALA HA 1.0 0.0 5.45 211 172 A 21 VAL HA A 21 VAL HGy% 1.0 0.0 3.93 212 173 A 32 VAL HA A 32 VAL HGy% 1.0 0.0 3.85 213 174 A 23 ILE HD1% A 23 ILE HG2% 1.0 0.0 3.77 214 175 A 23 ILE HA A 23 ILE HG2% 1.0 0.0 3.17 215 176 A 27 PHE HD% A 23 ILE HG2% 1.0 0.0 4.56 216 177 A 24 ILE HG2% A 24 ILE HA 1.0 0.0 3.29 217 178 A 23 ILE HD1% A 58 MET HE% 1.0 0.0 2.61 218 179 A 23 ILE HD1% A 23 ILE HB 1.0 0.0 3.25 219 180 A 121 ILE HG2% A 122 ASN HA 1.0 0.0 4.68 220 181 A 36 ARG HBx A 36 ARG HDx 1.0 0.0 2.40 221 181 A 36 ARG HBy A 36 ARG HDx 1.0 0.0 2.40 222 181 A 36 ARG HDy A 36 ARG HBx 1.0 0.0 2.40 223 181 A 36 ARG HBy A 36 ARG HDy 1.0 0.0 2.40 224 182 A 33 LYS HA A 36 ARG HDx 1.0 0.0 3.28 225 182 A 33 LYS HA A 36 ARG HDy 1.0 0.0 3.28 226 183 A 32 VAL HA A 32 VAL HGx% 1.0 0.0 3.85 227 184 A 121 ILE HA A 120 GLU HBx 1.0 0.0 4.49 228 184 A 120 GLU HBy A 121 ILE HA 1.0 0.0 4.49 229 185 A 37 VAL HA A 37 VAL HGx% 1.0 0.0 3.97 230 186 A 37 VAL HA A 37 VAL HGy% 1.0 0.0 3.97 231 187 A 53 VAL HA A 53 VAL HGx% 1.0 0.0 4.17 232 188 A 60 THR HA A 60 THR HG2% 1.0 0.0 4.11 233 189 A 73 ILE HA A 73 ILE HG2% 1.0 0.0 4.24 234 190 A 79 THR HG2% A 79 THR HA 1.0 0.0 3.90 235 191 A 21 VAL HA A 21 VAL HGx% 1.0 0.0 3.93 236 192 A 18 ALA H A 82 VAL HGy% 1.0 0.0 5.45 237 193 A 91 GLU HA A 91 GLU HGx 1.0 0.0 4.08 238 193 A 91 GLU HA A 91 GLU HGy 1.0 0.0 4.08 239 194 A 92 ILE HA A 92 ILE HD1% 1.0 0.0 4.47 240 195 A 96 ILE HA A 96 ILE HG2% 1.0 0.0 4.22 241 196 A 104 ALA H A 104 ALA HB% 1.0 0.0 3.43 242 197 A 111 ILE HG2% A 111 ILE HG1x 1.0 0.0 2.67 243 197 A 111 ILE HG1y A 111 ILE HG2% 1.0 0.0 2.67 244 198 A 119 GLU HA A 120 GLU HBx 1.0 0.0 5.46 245 198 A 120 GLU HBy A 119 GLU HA 1.0 0.0 5.46 246 199 A 121 ILE HB A 121 ILE HD1% 1.0 0.0 4.16 247 200 A 121 ILE HD1% A 124 MET HGx 1.0 0.0 5.23 248 200 A 124 MET HGy A 121 ILE HD1% 1.0 0.0 5.23 249 201 A 121 ILE HA A 121 ILE HD1% 1.0 0.0 4.04 250 202 A 121 ILE HD1% A 117 TYR HE% 1.0 0.0 4.82 251 203 A 121 ILE HD1% A 52 PHE HEx 1.0 0.0 4.30 252 204 A 121 ILE HG2% A 121 ILE HA 1.0 0.0 3.97 253 205 A 17 VAL HA A 127 ALA HA 1.0 0.0 5.10 254 206 A 17 VAL HA A 127 ALA HB% 1.0 0.0 5.50 255 207 A 17 VAL HB A 127 ALA HB% 1.0 0.0 4.44 256 208 A 129 VAL HA A 129 VAL HGx% 1.0 0.0 3.30 257 209 A 129 VAL HA A 129 VAL HGy% 1.0 0.0 3.30 258 210 A 63 ALA HB% A 134 MET HBx 1.0 0.0 4.09 259 210 A 63 ALA HB% A 134 MET HBy 1.0 0.0 4.09 260 211 A 110 MET HA A 110 MET HE% 1.0 0.0 4.55 261 212 A 58 MET HE% A 58 MET HBx 1.0 0.0 3.71 262 212 A 58 MET HBy A 58 MET HE% 1.0 0.0 3.71 263 213 A 121 ILE HD1% A 124 MET HE% 1.0 0.0 4.13 264 214 A 134 MET HE% A 60 THR HG2% 1.0 0.0 4.26 265 215 A 124 MET HE% A 124 MET HGx 1.0 0.0 3.86 266 215 A 124 MET HGy A 124 MET HE% 1.0 0.0 3.86 267 216 A 23 ILE HG2% A 58 MET HE% 1.0 0.0 3.75 268 217 A 53 VAL HA A 53 VAL HGy% 1.0 0.0 4.17 269 218 A 63 ALA HB% A 134 MET HGx 1.0 0.0 4.55 270 218 A 63 ALA HB% A 134 MET HGy 1.0 0.0 4.55 271 219 A 73 ILE HD1% A 73 ILE HG2% 1.0 0.0 3.37 272 220 A 81 VAL HA A 81 VAL HGy% 1.0 0.0 3.98 273 221 A 66 MET HE% A 133 TYR HE% 1.0 0.0 4.81 274 222 A 67 LEU H A 66 MET HE% 1.0 0.0 5.17 275 223 A 44 THR HA A 44 THR HG2% 1.0 0.0 3.09 276 224 A 18 ALA H A 82 VAL HGx% 1.0 0.0 5.45 277 225 A 57 TYR HA A 57 TYR HD% 1.0 0.0 3.00 278 226 A 27 PHE HD% A 57 TYR HE% 1.0 0.0 3.93 279 227 A 114 TYR HD% A 49 ALA HA 1.0 0.0 4.51 280 228 A 114 TYR HD% A 45 VAL HB 1.0 0.0 5.28 281 229 A 114 TYR HE% A 45 VAL HGx% 1.0 0.0 5.30 282 230 A 114 TYR HE% A 45 VAL HGy% 1.0 0.0 5.30 283 231 A 117 TYR HA A 117 TYR HD% 1.0 0.0 2.72 284 232 A 18 ALA HB% A 15 PHE HD% 1.0 0.0 3.74 285 233 A 121 ILE HD1% A 117 TYR HD% 1.0 0.0 4.08 286 234 A 117 TYR HE% A 117 TYR HA 1.0 0.0 4.79 287 235 A 121 ILE HB A 117 TYR HE% 1.0 0.0 5.50 288 236 A 27 PHE HD% A 27 PHE HA 1.0 0.0 3.94 289 237 A 27 PHE HD% A 92 ILE HG2% 1.0 0.0 4.62 290 238 A 27 PHE HD% A 96 ILE HG2% 1.0 0.0 2.94 291 239 A 121 ILE H A 117 TYR HE% 1.0 0.0 4.85 292 240 A 121 ILE HG2% A 52 PHE HDx 1.0 0.0 3.61 293 241 A 121 ILE HB A 52 PHE HDx 1.0 0.0 4.61 294 242 A 27 PHE HD% A 23 ILE HA 1.0 0.0 5.50 295 243 A 133 TYR HE% A 62 TRP HE1 1.0 0.0 4.73 296 244 A 34 TRP HD1 A 99 ALA HA 1.0 0.0 3.71 297 245 A 99 ALA HB% A 34 TRP HD1 1.0 0.0 3.79 298 246 A 3 TRP HE1 A 133 TYR HBy 1.0 0.0 3.86 299 246 A 3 TRP HE1 A 133 TYR HBx 1.0 0.0 3.86 300 247 A 6 VAL HA A 6 VAL HGx% 1.0 0.0 2.56 301 247 A 6 VAL HA A 6 VAL HGy% 1.0 0.0 2.56 302 248 A 75 ALA HB% A 6 VAL HGx% 1.0 0.0 4.61 303 248 A 75 ALA HB% A 6 VAL HGy% 1.0 0.0 4.61 304 249 A 18 ALA HA A 17 VAL HGx% 1.0 0.0 3.43 305 249 A 18 ALA HA A 17 VAL HGy% 1.0 0.0 3.43 306 250 A 18 ALA HB% A 17 VAL HGx% 1.0 0.0 3.34 307 250 A 18 ALA HB% A 17 VAL HGy% 1.0 0.0 3.34 308 251 A 127 ALA H A 17 VAL HGx% 1.0 0.0 3.62 309 251 A 17 VAL HGy% A 127 ALA H 1.0 0.0 3.62 310 252 A 17 VAL HGx% A 131 VAL HGx% 1.0 0.0 4.85 311 252 A 17 VAL HGy% A 131 VAL HGx% 1.0 0.0 4.85 312 252 A 131 VAL HGy% A 17 VAL HGx% 1.0 0.0 4.85 313 252 A 17 VAL HGy% A 131 VAL HGy% 1.0 0.0 4.85 314 253 A 18 ALA H A 82 VAL HGy% 1.0 0.0 4.44 315 253 A 18 ALA H A 82 VAL HGx% 1.0 0.0 4.44 316 254 A 18 ALA HB% A 82 VAL HGy% 1.0 0.0 2.67 317 254 A 18 ALA HB% A 82 VAL HGx% 1.0 0.0 2.67 318 255 A 21 VAL HA A 21 VAL HGy% 1.0 0.0 2.88 319 255 A 21 VAL HA A 21 VAL HGx% 1.0 0.0 2.88 320 256 A 24 ILE HG2% A 28 ASP HBy 1.0 0.0 4.82 321 256 A 24 ILE HG2% A 28 ASP HBx 1.0 0.0 4.82 322 257 A 32 VAL HA A 32 VAL HGy% 1.0 0.0 2.92 323 257 A 32 VAL HA A 32 VAL HGx% 1.0 0.0 2.92 324 258 A 33 LYS H A 32 VAL HGy% 1.0 0.0 4.22 325 258 A 33 LYS H A 32 VAL HGx% 1.0 0.0 4.22 326 259 A 38 HIS HA A 37 VAL HGy% 1.0 0.0 4.94 327 259 A 37 VAL HGx% A 38 HIS HA 1.0 0.0 4.94 328 260 A 38 HIS HD2 A 37 VAL HGy% 1.0 0.0 3.37 329 260 A 37 VAL HGx% A 38 HIS HD2 1.0 0.0 3.37 330 261 A 38 HIS HE1 A 37 VAL HGy% 1.0 0.0 4.26 331 261 A 37 VAL HGx% A 38 HIS HE1 1.0 0.0 4.26 332 262 A 42 LEU H A 42 LEU HDx% 1.0 0.0 4.27 333 262 A 42 LEU H A 42 LEU HD21 1.0 0.0 4.27 334 263 A 42 LEU HA A 42 LEU HDx% 1.0 0.0 3.30 335 263 A 42 LEU HD21 A 42 LEU HA 1.0 0.0 3.30 336 264 A 102 TYR HEx A 42 LEU HDx% 1.0 0.0 3.37 337 264 A 42 LEU HD21 A 102 TYR HEx 1.0 0.0 3.37 338 265 A 44 THR HB A 45 VAL HGy% 1.0 0.0 5.44 339 265 A 44 THR HB A 45 VAL HGx% 1.0 0.0 5.44 340 266 A 44 THR HG2% A 48 LYS HEx 1.0 0.0 3.60 341 266 A 44 THR HG2% A 48 LYS HEy 1.0 0.0 3.60 342 267 A 45 VAL H A 45 VAL HGy% 1.0 0.0 4.02 343 267 A 45 VAL H A 45 VAL HGx% 1.0 0.0 4.02 344 268 A 45 VAL HGx% A 114 TYR HBx 1.0 0.0 3.52 345 268 A 45 VAL HGy% A 114 TYR HBx 1.0 0.0 3.52 346 268 A 114 TYR HBy A 45 VAL HGy% 1.0 0.0 3.52 347 268 A 45 VAL HGx% A 114 TYR HBy 1.0 0.0 3.52 348 269 A 114 TYR HD% A 45 VAL HGy% 1.0 0.0 4.79 349 269 A 114 TYR HD% A 45 VAL HGx% 1.0 0.0 4.79 350 270 A 114 TYR HE% A 45 VAL HGy% 1.0 0.0 4.41 351 270 A 114 TYR HE% A 45 VAL HGx% 1.0 0.0 4.41 352 271 A 115 LEU H A 45 VAL HGy% 1.0 0.0 4.69 353 271 A 115 LEU H A 45 VAL HGx% 1.0 0.0 4.69 354 272 A 49 ALA HB% A 50 LEU HDx% 1.0 0.0 5.43 355 272 A 49 ALA HB% A 50 LEU HD21 1.0 0.0 5.43 356 273 A 50 LEU H A 50 LEU HDx% 1.0 0.0 4.66 357 273 A 50 LEU HD21 A 50 LEU H 1.0 0.0 4.66 358 274 A 50 LEU HA A 50 LEU HDx% 1.0 0.0 3.16 359 274 A 50 LEU HA A 50 LEU HD21 1.0 0.0 3.16 360 275 A 53 VAL H A 50 LEU HDx% 1.0 0.0 4.18 361 275 A 53 VAL H A 50 LEU HD21 1.0 0.0 4.18 362 276 A 50 LEU HD21 A 53 VAL HGy% 1.0 0.0 3.85 363 276 A 50 LEU HDx% A 53 VAL HGy% 1.0 0.0 3.85 364 276 A 53 VAL HGx% A 50 LEU HDx% 1.0 0.0 3.85 365 276 A 50 LEU HD21 A 53 VAL HGx% 1.0 0.0 3.85 366 277 A 52 PHE HDx A 52 PHE HBy 1.0 0.0 2.87 367 277 A 52 PHE HDx A 52 PHE HBx 1.0 0.0 2.87 368 278 A 54 ASN H A 53 VAL HGy% 1.0 0.0 4.53 369 278 A 54 ASN H A 53 VAL HGx% 1.0 0.0 4.53 370 279 A 101 PHE HDx A 53 VAL HGy% 1.0 0.0 3.96 371 279 A 53 VAL HGx% A 101 PHE HDx 1.0 0.0 3.96 372 280 A 58 MET HBx A 131 VAL HGx% 1.0 0.0 5.44 373 280 A 131 VAL HGy% A 58 MET HBx 1.0 0.0 5.44 374 280 A 58 MET HBy A 131 VAL HGy% 1.0 0.0 5.44 375 280 A 58 MET HBy A 131 VAL HGx% 1.0 0.0 5.44 376 281 A 58 MET HE% A 131 VAL HGx% 1.0 0.0 3.40 377 281 A 58 MET HE% A 131 VAL HGy% 1.0 0.0 3.40 378 282 A 73 ILE HD1% A 88 LEU HDx% 1.0 0.0 3.82 379 282 A 73 ILE HD1% A 88 LEU HD21 1.0 0.0 3.82 380 283 A 74 ASP H A 74 ASP HBy 1.0 0.0 3.01 381 283 A 74 ASP H A 74 ASP HBx 1.0 0.0 3.01 382 284 A 75 ALA H A 74 ASP HBy 1.0 0.0 4.12 383 284 A 75 ALA H A 74 ASP HBx 1.0 0.0 4.12 384 285 A 76 LEU H A 76 LEU HDx% 1.0 0.0 4.11 385 285 A 76 LEU H A 76 LEU HD21 1.0 0.0 4.11 386 286 A 76 LEU HA A 76 LEU HDx% 1.0 0.0 4.06 387 286 A 76 LEU HA A 76 LEU HD21 1.0 0.0 4.06 388 287 A 81 VAL H A 81 VAL HGy% 1.0 0.0 3.92 389 287 A 81 VAL H A 81 VAL HGx% 1.0 0.0 3.92 390 288 A 84 ASP H A 81 VAL HGy% 1.0 0.0 3.93 391 288 A 84 ASP H A 81 VAL HGx% 1.0 0.0 3.93 392 289 A 82 VAL HA A 82 VAL HGy% 1.0 0.0 2.97 393 289 A 82 VAL HA A 82 VAL HGx% 1.0 0.0 2.97 394 290 A 88 LEU H A 88 LEU HDx% 1.0 0.0 4.27 395 290 A 88 LEU H A 88 LEU HD21 1.0 0.0 4.27 396 291 A 94 ARG H A 94 ARG HBy 1.0 0.0 3.23 397 291 A 94 ARG H A 94 ARG HBx 1.0 0.0 3.23 398 292 A 110 MET H A 110 MET HGy 1.0 0.0 4.52 399 292 A 110 MET H A 110 MET HGx 1.0 0.0 4.52 400 293 A 115 LEU HA A 115 LEU HDx% 1.0 0.0 4.24 401 293 A 115 LEU HA A 115 LEU HDy% 1.0 0.0 4.24 402 294 A 129 VAL HA A 129 VAL HGy% 1.0 0.0 2.49 403 294 A 129 VAL HA A 129 VAL HGx% 1.0 0.0 2.49 404 295 A 131 VAL H A 130 PRO HBy 1.0 0.0 2.97 405 295 A 131 VAL H A 130 PRO HBx 1.0 0.0 2.97 406 296 A 131 VAL H A 131 VAL HGx% 1.0 0.0 3.64 407 296 A 131 VAL H A 131 VAL HGy% 1.0 0.0 3.64 408 297 A 133 TYR HE% A 131 VAL HGx% 1.0 0.0 3.89 409 297 A 133 TYR HE% A 131 VAL HGy% 1.0 0.0 3.89 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 5 TYR C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -130.0 -101.2 PHI 2 2 A 6 VAL N A 6 VAL CA A 6 VAL C A 7 GLU N 1.0 110.1 153.5 PSI 3 3 A 6 VAL C A 7 GLU N A 7 GLU CA A 7 GLU C 1.0 -90.1 -81.9 PHI 4 4 A 7 GLU N A 7 GLU CA A 7 GLU C A 8 PRO N 1.0 112.9 155.5 PSI 5 5 A 8 PRO N A 8 PRO CA A 8 PRO C A 9 LYS N 1.0 129.8 162.4 PSI 6 6 A 10 PHE C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -53.9 -43.3 PHI 7 7 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 ASN N 1.0 113.9 162.5 PSI 8 8 A 11 LEU C A 12 ASN N A 12 ASN CA A 12 ASN C 1.0 -113.0 -28.8 PHI 9 9 A 12 ASN N A 12 ASN CA A 12 ASN C A 13 LYS N 1.0 83.1 211.9 PSI 10 10 A 12 ASN C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -72.8 -40.8 PHI 11 11 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 ALA N 1.0 -50.9 -18.9 PSI 12 12 A 13 LYS C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -56.6 -46.8 PHI 13 13 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 PHE N 1.0 -52.0 -20.0 PSI 14 14 A 14 ALA C A 15 PHE N A 15 PHE CA A 15 PHE C 1.0 -93.5 -52.9 PHI 15 15 A 15 PHE N A 15 PHE CA A 15 PHE C A 16 GLU N 1.0 -59.3 -4.5 PSI 16 16 A 15 PHE C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -78.9 -46.9 PHI 17 17 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 VAL N 1.0 -58.9 -26.9 PSI 18 18 A 16 GLU C A 17 VAL N A 17 VAL CA A 17 VAL C 1.0 -78.8 -46.8 PHI 19 19 A 17 VAL N A 17 VAL CA A 17 VAL C A 18 ALA N 1.0 -60.3 -28.3 PSI 20 20 A 17 VAL C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -70.1 -62.5 PHI 21 21 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 LEU N 1.0 -56.8 -24.8 PSI 22 22 A 18 ALA C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -68.7 -60.9 PHI 23 23 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 LYS N 1.0 -58.3 -26.3 PSI 24 24 A 19 LEU C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -77.3 -45.3 PHI 25 25 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 VAL N 1.0 -58.8 -26.8 PSI 26 26 A 20 LYS C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -73.8 -66.2 PHI 27 27 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 GLN N 1.0 -57.3 -25.3 PSI 28 28 A 21 VAL C A 22 GLN N A 22 GLN CA A 22 GLN C 1.0 -71.7 -64.1 PHI 29 29 A 22 GLN N A 22 GLN CA A 22 GLN C A 23 ILE N 1.0 -54.7 -22.7 PSI 30 30 A 22 GLN C A 23 ILE N A 23 ILE CA A 23 ILE C 1.0 -80.5 -48.5 PHI 31 31 A 23 ILE N A 23 ILE CA A 23 ILE C A 24 ILE N 1.0 -61.9 -29.9 PSI 32 32 A 23 ILE C A 24 ILE N A 24 ILE CA A 24 ILE C 1.0 -79.2 -47.2 PHI 33 33 A 24 ILE N A 24 ILE CA A 24 ILE C A 25 ALA N 1.0 -57.7 -25.7 PSI 34 34 A 24 ILE C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -80.5 -48.5 PHI 35 35 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 GLY N 1.0 -54.0 -22.0 PSI 36 36 A 25 ALA C A 26 GLY N A 26 GLY CA A 26 GLY C 1.0 -81.2 -49.2 PHI 37 37 A 26 GLY N A 26 GLY CA A 26 GLY C A 27 PHE N 1.0 -59.5 -27.5 PSI 38 38 A 26 GLY C A 27 PHE N A 27 PHE CA A 27 PHE C 1.0 -72.1 -64.5 PHI 39 39 A 27 PHE N A 27 PHE CA A 27 PHE C A 28 ASP N 1.0 -53.4 -21.4 PSI 40 40 A 27 PHE C A 28 ASP N A 28 ASP CA A 28 ASP C 1.0 -92.4 -84.0 PHI 41 41 A 28 ASP N A 28 ASP CA A 28 ASP C A 29 ARG N 1.0 -55.5 -23.5 PSI 42 42 A 28 ASP C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -82.4 -50.4 PHI 43 43 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 GLY N 1.0 -54.5 -22.5 PSI 44 44 A 29 ARG C A 30 GLY N A 30 GLY CA A 30 GLY C 1.0 -80.5 -48.5 PHI 45 45 A 30 GLY N A 30 GLY CA A 30 GLY C A 31 LEU N 1.0 -57.8 -25.8 PSI 46 46 A 30 GLY C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -81.5 -49.5 PHI 47 47 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 VAL N 1.0 -58.6 -26.6 PSI 48 48 A 31 LEU C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -78.8 -46.8 PHI 49 49 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 LYS N 1.0 -59.1 -27.1 PSI 50 50 A 32 VAL C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -81.5 -49.5 PHI 51 51 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 TRP N 1.0 -56.3 -24.3 PSI 52 52 A 33 LYS C A 34 TRP N A 34 TRP CA A 34 TRP C 1.0 -79.7 -47.7 PHI 53 53 A 34 TRP N A 34 TRP CA A 34 TRP C A 35 LEU N 1.0 -61.0 -29.0 PSI 54 54 A 34 TRP C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -64.4 -56.2 PHI 55 55 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 ARG N 1.0 -56.8 -24.8 PSI 56 56 A 35 LEU C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -81.6 -49.6 PHI 57 57 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 VAL N 1.0 -51.7 -19.7 PSI 58 58 A 36 ARG C A 37 VAL N A 37 VAL CA A 37 VAL C 1.0 -97.8 -88.2 PHI 59 59 A 37 VAL N A 37 VAL CA A 37 VAL C A 38 HIS N 1.0 -52.2 -20.2 PSI 60 60 A 37 VAL C A 38 HIS N A 38 HIS CA A 38 HIS C 1.0 -137.8 -52.4 PHI 61 61 A 38 HIS N A 38 HIS CA A 38 HIS C A 39 GLY N 1.0 -58.1 30.1 PSI 62 62 A 38 HIS C A 39 GLY N A 39 GLY CA A 39 GLY C 1.0 -73.9 -40.9 PHI 63 63 A 39 GLY N A 39 GLY CA A 39 GLY C A 40 ARG N 1.0 -51.4 -12.4 PSI 64 64 A 39 GLY C A 40 ARG N A 40 ARG CA A 40 ARG C 1.0 -84.3 -52.3 PHI 65 65 A 40 ARG N A 40 ARG CA A 40 ARG C A 41 THR N 1.0 -38.6 -6.6 PSI 66 66 A 40 ARG C A 41 THR N A 41 THR CA A 41 THR C 1.0 -112.3 -78.7 PHI 67 67 A 41 THR N A 41 THR CA A 41 THR C A 42 LEU N 1.0 -20.5 25.1 PSI 68 68 A 41 THR C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -70.6 -63.0 PHI 69 69 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 SER N 1.0 125.7 168.7 PSI 70 70 A 42 LEU C A 43 SER N A 43 SER CA A 43 SER C 1.0 -76.8 -69.4 PHI 71 71 A 43 SER N A 43 SER CA A 43 SER C A 44 THR N 1.0 151.2 183.2 PSI 72 72 A 43 SER C A 44 THR N A 44 THR CA A 44 THR C 1.0 -74.2 -42.2 PHI 73 73 A 44 THR N A 44 THR CA A 44 THR C A 45 VAL N 1.0 -59.3 -27.3 PSI 74 74 A 44 THR C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -76.8 -69.4 PHI 75 75 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 GLN N 1.0 -54.8 -22.8 PSI 76 76 A 45 VAL C A 46 GLN N A 46 GLN CA A 46 GLN C 1.0 -82.8 -50.8 PHI 77 77 A 46 GLN N A 46 GLN CA A 46 GLN C A 47 LYS N 1.0 -58.0 -26.0 PSI 78 78 A 46 GLN C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -80.4 -48.4 PHI 79 79 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 LYS N 1.0 -58.5 -26.5 PSI 80 80 A 47 LYS C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -80.9 -48.9 PHI 81 81 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 ALA N 1.0 -55.1 -23.1 PSI 82 82 A 48 LYS C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -61.3 -52.7 PHI 83 83 A 49 ALA N A 49 ALA CA A 49 ALA C A 50 LEU N 1.0 -55.6 -23.6 PSI 84 84 A 49 ALA C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -80.5 -48.5 PHI 85 85 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 TYR N 1.0 -56.9 -24.9 PSI 86 86 A 50 LEU C A 51 TYR N A 51 TYR CA A 51 TYR C 1.0 -80.0 -48.0 PHI 87 87 A 51 TYR N A 51 TYR CA A 51 TYR C A 52 PHE N 1.0 -56.8 -24.8 PSI 88 88 A 51 TYR C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -80.8 -48.8 PHI 89 89 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 VAL N 1.0 -60.4 -28.4 PSI 90 90 A 52 PHE C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -79.1 -47.1 PHI 91 91 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 ASN N 1.0 -58.6 -26.6 PSI 92 92 A 53 VAL C A 54 ASN N A 54 ASN CA A 54 ASN C 1.0 -80.7 -48.7 PHI 93 93 A 54 ASN N A 54 ASN CA A 54 ASN C A 55 ARG N 1.0 -56.0 -24.0 PSI 94 94 A 54 ASN C A 55 ARG N A 55 ARG CA A 55 ARG C 1.0 -82.1 -50.1 PHI 95 95 A 55 ARG N A 55 ARG CA A 55 ARG C A 56 ARG N 1.0 -56.9 -24.9 PSI 96 96 A 55 ARG C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -63.6 -55.4 PHI 97 97 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 TYR N 1.0 -53.6 -21.6 PSI 98 98 A 56 ARG C A 57 TYR N A 57 TYR CA A 57 TYR C 1.0 -78.8 -46.8 PHI 99 99 A 57 TYR N A 57 TYR CA A 57 TYR C A 58 MET N 1.0 -59.9 -27.9 PSI 100 100 A 57 TYR C A 58 MET N A 58 MET CA A 58 MET C 1.0 -77.8 -45.8 PHI 101 101 A 58 MET N A 58 MET CA A 58 MET C A 59 GLN N 1.0 -59.5 -27.5 PSI 102 102 A 58 MET C A 59 GLN N A 59 GLN CA A 59 GLN C 1.0 -80.7 -48.7 PHI 103 103 A 59 GLN N A 59 GLN CA A 59 GLN C A 60 THR N 1.0 -56.0 -24.0 PSI 104 104 A 59 GLN C A 60 THR N A 60 THR CA A 60 THR C 1.0 -82.1 -50.1 PHI 105 105 A 60 THR N A 60 THR CA A 60 THR C A 61 HIS N 1.0 -55.8 -23.8 PSI 106 106 A 60 THR C A 61 HIS N A 61 HIS CA A 61 HIS C 1.0 -94.6 -49.2 PHI 107 107 A 61 HIS N A 61 HIS CA A 61 HIS C A 62 TRP N 1.0 -64.8 -3.4 PSI 108 108 A 61 HIS C A 62 TRP N A 62 TRP CA A 62 TRP C 1.0 -75.4 -43.4 PHI 109 109 A 62 TRP N A 62 TRP CA A 62 TRP C A 63 ALA N 1.0 -63.0 -31.0 PSI 110 110 A 62 TRP C A 63 ALA N A 63 ALA CA A 63 ALA C 1.0 -56.5 -46.7 PHI 111 111 A 63 ALA N A 63 ALA CA A 63 ALA C A 64 ASN N 1.0 -55.3 -23.3 PSI 112 112 A 63 ALA C A 64 ASN N A 64 ASN CA A 64 ASN C 1.0 -82.2 -50.2 PHI 113 113 A 64 ASN N A 64 ASN CA A 64 ASN C A 65 TYR N 1.0 -56.3 -24.3 PSI 114 114 A 64 ASN C A 65 TYR N A 65 TYR CA A 65 TYR C 1.0 -82.3 -50.3 PHI 115 115 A 65 TYR N A 65 TYR CA A 65 TYR C A 66 MET N 1.0 -53.2 -21.2 PSI 116 116 A 65 TYR C A 66 MET N A 66 MET CA A 66 MET C 1.0 -46.6 -27.2 PHI 117 117 A 66 MET N A 66 MET CA A 66 MET C A 67 LEU N 1.0 -50.9 -18.9 PSI 118 118 A 66 MET C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -82.1 -50.1 PHI 119 119 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 TRP N 1.0 -58.1 -26.1 PSI 120 120 A 67 LEU C A 68 TRP N A 68 TRP CA A 68 TRP C 1.0 -68.2 -60.4 PHI 121 121 A 68 TRP N A 68 TRP CA A 68 TRP C A 69 ILE N 1.0 -59.9 -27.9 PSI 122 122 A 68 TRP C A 69 ILE N A 69 ILE CA A 69 ILE C 1.0 -79.5 -47.5 PHI 123 123 A 69 ILE N A 69 ILE CA A 69 ILE C A 70 ASN N 1.0 -57.9 -25.9 PSI 124 124 A 69 ILE C A 70 ASN N A 70 ASN CA A 70 ASN C 1.0 -78.6 -46.6 PHI 125 125 A 70 ASN N A 70 ASN CA A 70 ASN C A 71 LYS N 1.0 -54.7 -22.7 PSI 126 126 A 70 ASN C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -81.5 -49.5 PHI 127 127 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 LYS N 1.0 -56.7 -24.7 PSI 128 128 A 71 LYS C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -82.2 -50.2 PHI 129 129 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 ILE N 1.0 -55.6 -23.6 PSI 130 130 A 72 LYS C A 73 ILE N A 73 ILE CA A 73 ILE C 1.0 -83.4 -51.4 PHI 131 131 A 73 ILE N A 73 ILE CA A 73 ILE C A 74 ASP N 1.0 -50.6 -18.6 PSI 132 132 A 73 ILE C A 74 ASP N A 74 ASP CA A 74 ASP C 1.0 -83.4 -51.4 PHI 133 133 A 74 ASP N A 74 ASP CA A 74 ASP C A 75 ALA N 1.0 -51.5 -17.5 PSI 134 134 A 74 ASP C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -86.6 -54.6 PHI 135 135 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 LEU N 1.0 -38.7 -0.3 PSI 136 136 A 75 ALA C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -85.9 -53.9 PHI 137 137 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 GLY N 1.0 -49.3 -17.3 PSI 138 138 A 77 GLY C A 78 ARG N A 78 ARG CA A 78 ARG C 1.0 -73.7 -66.3 PHI 139 139 A 78 ARG N A 78 ARG CA A 78 ARG C A 79 THR N 1.0 135.3 183.5 PSI 140 140 A 78 ARG C A 79 THR N A 79 THR CA A 79 THR C 1.0 -145.1 -47.7 PHI 141 141 A 79 THR N A 79 THR CA A 79 THR C A 80 PRO N 1.0 96.0 169.6 PSI 142 142 A 80 PRO N A 80 PRO CA A 80 PRO C A 81 VAL N 1.0 136.0 168.8 PSI 143 143 A 80 PRO C A 81 VAL N A 81 VAL CA A 81 VAL C 1.0 -99.8 -89.8 PHI 144 144 A 81 VAL N A 81 VAL CA A 81 VAL C A 82 VAL N 1.0 152.2 184.2 PSI 145 145 A 81 VAL C A 82 VAL N A 82 VAL CA A 82 VAL C 1.0 -74.8 -42.8 PHI 146 146 A 82 VAL N A 82 VAL CA A 82 VAL C A 83 GLY N 1.0 -54.9 -22.9 PSI 147 147 A 82 VAL C A 83 GLY N A 83 GLY CA A 83 GLY C 1.0 -79.6 -47.6 PHI 148 148 A 83 GLY N A 83 GLY CA A 83 GLY C A 84 ASP N 1.0 -56.0 -24.0 PSI 149 149 A 83 GLY C A 84 ASP N A 84 ASP CA A 84 ASP C 1.0 -81.8 -49.8 PHI 150 150 A 84 ASP N A 84 ASP CA A 84 ASP C A 85 TYR N 1.0 -56.2 -24.2 PSI 151 151 A 84 ASP C A 85 TYR N A 85 TYR CA A 85 TYR C 1.0 -81.9 -49.9 PHI 152 152 A 85 TYR N A 85 TYR CA A 85 TYR C A 86 THR N 1.0 -58.7 -26.7 PSI 153 153 A 85 TYR C A 86 THR N A 86 THR CA A 86 THR C 1.0 -78.2 -46.2 PHI 154 154 A 86 THR N A 86 THR CA A 86 THR C A 87 ARG N 1.0 -57.3 -25.3 PSI 155 155 A 86 THR C A 87 ARG N A 87 ARG CA A 87 ARG C 1.0 -80.2 -48.2 PHI 156 156 A 87 ARG N A 87 ARG CA A 87 ARG C A 88 LEU N 1.0 -57.5 -25.5 PSI 157 157 A 87 ARG C A 88 LEU N A 88 LEU CA A 88 LEU C 1.0 -82.7 -50.7 PHI 158 158 A 88 LEU N A 88 LEU CA A 88 LEU C A 89 GLY N 1.0 -53.8 -21.8 PSI 159 159 A 88 LEU C A 89 GLY N A 89 GLY CA A 89 GLY C 1.0 -78.5 -46.5 PHI 160 160 A 89 GLY N A 89 GLY CA A 89 GLY C A 90 ALA N 1.0 -55.9 -23.9 PSI 161 161 A 89 GLY C A 90 ALA N A 90 ALA CA A 90 ALA C 1.0 -81.2 -49.2 PHI 162 162 A 90 ALA N A 90 ALA CA A 90 ALA C A 91 GLU N 1.0 -56.0 -24.0 PSI 163 163 A 90 ALA C A 91 GLU N A 91 GLU CA A 91 GLU C 1.0 -82.8 -50.8 PHI 164 164 A 91 GLU N A 91 GLU CA A 91 GLU C A 92 ILE N 1.0 -56.6 -24.6 PSI 165 165 A 91 GLU C A 92 ILE N A 92 ILE CA A 92 ILE C 1.0 -82.5 -50.5 PHI 166 166 A 92 ILE N A 92 ILE CA A 92 ILE C A 93 GLY N 1.0 -58.2 -26.2 PSI 167 167 A 92 ILE C A 93 GLY N A 93 GLY CA A 93 GLY C 1.0 -81.6 -49.6 PHI 168 168 A 93 GLY N A 93 GLY CA A 93 GLY C A 94 ARG N 1.0 -42.6 -2.6 PSI 169 169 A 93 GLY C A 94 ARG N A 94 ARG CA A 94 ARG C 1.0 -89.6 -81.4 PHI 170 170 A 94 ARG N A 94 ARG CA A 94 ARG C A 95 ARG N 1.0 -28.8 11.0 PSI 171 171 A 94 ARG C A 95 ARG N A 95 ARG CA A 95 ARG C 1.0 -108.2 -45.8 PHI 172 172 A 95 ARG N A 95 ARG CA A 95 ARG C A 96 ILE N 1.0 112.9 184.3 PSI 173 173 A 97 ASP C A 98 MET N A 98 MET CA A 98 MET C 1.0 -91.7 -43.9 PHI 174 174 A 98 MET N A 98 MET CA A 98 MET C A 99 ALA N 1.0 -49.5 -1.1 PSI 175 175 A 98 MET C A 99 ALA N A 99 ALA CA A 99 ALA C 1.0 -77.8 -45.8 PHI 176 176 A 99 ALA N A 99 ALA CA A 99 ALA C A 100 TYR N 1.0 -51.4 -19.4 PSI 177 177 A 99 ALA C A 100 TYR N A 100 TYR CA A 100 TYR C 1.0 -83.7 -51.7 PHI 178 178 A 100 TYR N A 100 TYR CA A 100 TYR C A 101 PHE N 1.0 -50.7 -18.7 PSI 179 179 A 100 TYR C A 101 PHE N A 101 PHE CA A 101 PHE C 1.0 -83.7 -51.7 PHI 180 180 A 101 PHE N A 101 PHE CA A 101 PHE C A 102 TYR N 1.0 -58.5 -26.5 PSI 181 181 A 101 PHE C A 102 TYR N A 102 TYR CA A 102 TYR C 1.0 -80.9 -48.9 PHI 182 182 A 102 TYR N A 102 TYR CA A 102 TYR C A 103 ASP N 1.0 -52.5 -20.5 PSI 183 183 A 102 TYR C A 103 ASP N A 103 ASP CA A 103 ASP C 1.0 -81.8 -49.8 PHI 184 184 A 103 ASP N A 103 ASP CA A 103 ASP C A 104 ALA N 1.0 -54.4 -22.4 PSI 185 185 A 103 ASP C A 104 ALA N A 104 ALA CA A 104 ALA C 1.0 -84.1 -52.1 PHI 186 186 A 104 ALA N A 104 ALA CA A 104 ALA C A 105 LEU N 1.0 -55.7 -23.7 PSI 187 187 A 104 ALA C A 105 LEU N A 105 LEU CA A 105 LEU C 1.0 -82.2 -50.2 PHI 188 188 A 105 LEU N A 105 LEU CA A 105 LEU C A 106 LYS N 1.0 -58.0 -26.0 PSI 189 189 A 105 LEU C A 106 LYS N A 106 LYS CA A 106 LYS C 1.0 -81.5 -49.5 PHI 190 190 A 106 LYS N A 106 LYS CA A 106 LYS C A 107 ASP N 1.0 -58.5 -26.5 PSI 191 191 A 106 LYS C A 107 ASP N A 107 ASP CA A 107 ASP C 1.0 -54.8 -44.4 PHI 192 192 A 107 ASP N A 107 ASP CA A 107 ASP C A 108 LYS N 1.0 -47.8 -15.8 PSI 193 193 A 107 ASP C A 108 LYS N A 108 LYS CA A 108 LYS C 1.0 -92.0 -83.6 PHI 194 194 A 108 LYS N A 108 LYS CA A 108 LYS C A 109 ASN N 1.0 -11.0 21.0 PSI 195 195 A 108 LYS C A 109 ASN N A 109 ASN CA A 109 ASN C 1.0 42.0 74.0 PHI 196 196 A 109 ASN N A 109 ASN CA A 109 ASN C A 110 MET N 1.0 23.7 55.7 PSI 197 197 A 109 ASN C A 110 MET N A 110 MET CA A 110 MET C 1.0 -157.1 -101.3 PHI 198 198 A 110 MET N A 110 MET CA A 110 MET C A 111 ILE N 1.0 48.4 213.2 PSI 199 199 A 110 MET C A 111 ILE N A 111 ILE CA A 111 ILE C 1.0 -93.1 -48.1 PHI 200 200 A 111 ILE N A 111 ILE CA A 111 ILE C A 112 PRO N 1.0 105.5 151.1 PSI 201 201 A 112 PRO N A 112 PRO CA A 112 PRO C A 113 LYS N 1.0 113.5 179.1 PSI 202 202 A 112 PRO C A 113 LYS N A 113 LYS CA A 113 LYS C 1.0 -84.3 -52.3 PHI 203 203 A 113 LYS N A 113 LYS CA A 113 LYS C A 114 TYR N 1.0 119.8 157.0 PSI 204 204 A 113 LYS C A 114 TYR N A 114 TYR CA A 114 TYR C 1.0 -66.5 -58.7 PHI 205 205 A 114 TYR N A 114 TYR CA A 114 TYR C A 115 LEU N 1.0 71.6 186.0 PSI 206 206 A 114 TYR C A 115 LEU N A 115 LEU CA A 115 LEU C 1.0 -97.0 -87.6 PHI 207 207 A 115 LEU N A 115 LEU CA A 115 LEU C A 116 PRO N 1.0 87.5 173.3 PSI 208 208 A 116 PRO C A 117 TYR N A 117 TYR CA A 117 TYR C 1.0 -81.5 -49.5 PHI 209 209 A 117 TYR N A 117 TYR CA A 117 TYR C A 118 MET N 1.0 -47.6 -15.6 PSI 210 210 A 117 TYR C A 118 MET N A 118 MET CA A 118 MET C 1.0 -85.7 -53.7 PHI 211 211 A 118 MET N A 118 MET CA A 118 MET C A 119 GLU N 1.0 -54.3 -22.3 PSI 212 212 A 118 MET C A 119 GLU N A 119 GLU CA A 119 GLU C 1.0 -59.5 -50.5 PHI 213 213 A 119 GLU N A 119 GLU CA A 119 GLU C A 120 GLU N 1.0 -54.6 -22.6 PSI 214 214 A 119 GLU C A 120 GLU N A 120 GLU CA A 120 GLU C 1.0 -83.1 -51.1 PHI 215 215 A 120 GLU N A 120 GLU CA A 120 GLU C A 121 ILE N 1.0 -53.4 -21.4 PSI 216 216 A 120 GLU C A 121 ILE N A 121 ILE CA A 121 ILE C 1.0 -87.4 -55.4 PHI 217 217 A 121 ILE N A 121 ILE CA A 121 ILE C A 122 ASN N 1.0 -48.3 -16.3 PSI 218 218 A 121 ILE C A 122 ASN N A 122 ASN CA A 122 ASN C 1.0 -83.2 -51.2 PHI 219 219 A 122 ASN N A 122 ASN CA A 122 ASN C A 123 ARG N 1.0 -42.5 -10.5 PSI 220 220 A 122 ASN C A 123 ARG N A 123 ARG CA A 123 ARG C 1.0 -102.1 -65.7 PHI 221 221 A 123 ARG N A 123 ARG CA A 123 ARG C A 124 MET N 1.0 -31.3 1.9 PSI 222 222 A 123 ARG C A 124 MET N A 124 MET CA A 124 MET C 1.0 -97.0 -50.0 PHI 223 223 A 124 MET N A 124 MET CA A 124 MET C A 125 ARG N 1.0 120.5 163.7 PSI 224 224 A 124 MET C A 125 ARG N A 125 ARG CA A 125 ARG C 1.0 -46.6 -27.4 PHI 225 225 A 125 ARG N A 125 ARG CA A 125 ARG C A 126 PRO N 1.0 119.2 169.8 PSI 226 226 A 126 PRO N A 126 PRO CA A 126 PRO C A 127 ALA N 1.0 -52.2 -20.2 PSI 227 227 A 126 PRO C A 127 ALA N A 127 ALA CA A 127 ALA C 1.0 -83.7 -51.7 PHI 228 228 A 127 ALA N A 127 ALA CA A 127 ALA C A 128 ASP N 1.0 -35.9 -3.9 PSI 229 229 A 127 ALA C A 128 ASP N A 128 ASP CA A 128 ASP C 1.0 -103.5 -92.3 PHI 230 230 A 128 ASP N A 128 ASP CA A 128 ASP C A 129 VAL N 1.0 -20.4 12.8 PSI 231 231 A 128 ASP C A 129 VAL N A 129 VAL CA A 129 VAL C 1.0 -103.8 -50.2 PHI 232 232 A 129 VAL N A 129 VAL CA A 129 VAL C A 130 PRO N 1.0 110.1 159.9 PSI 233 233 A 130 PRO N A 130 PRO CA A 130 PRO C A 131 VAL N 1.0 122.4 166.2 PSI 234 234 A 130 PRO C A 131 VAL N A 131 VAL CA A 131 VAL C 1.0 -145.6 -107.4 PHI 235 235 A 131 VAL N A 131 VAL CA A 131 VAL C A 132 LYS N 1.0 141.4 173.4 PSI 236 236 A 131 VAL C A 132 LYS N A 132 LYS CA A 132 LYS C 1.0 -161.5 -76.1 PHI 237 237 A 132 LYS N A 132 LYS CA A 132 LYS C A 133 TYR N 1.0 113.2 167.4 PSI 238 238 A 132 LYS C A 133 TYR N A 133 TYR CA A 133 TYR C 1.0 -82.7 -75.1 PHI stop_ save_ save_CNS/XPLOR_dipolar_coupling_2 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_2 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 3 TRP NE1 A 3 TRP HE1 1.0 . . . 2 2 A 7 GLU N A 7 GLU H 1.0 . . . 3 3 A 18 ALA N A 18 ALA H 1.0 . . . 4 4 A 27 PHE N A 27 PHE H 1.0 . . . 5 5 A 29 ARG N A 29 ARG H 1.0 . . . 6 6 A 30 GLY N A 30 GLY H 1.0 . . . 7 7 A 31 LEU N A 31 LEU H 1.0 . . . 8 8 A 34 TRP NE1 A 34 TRP HE1 1.0 . . . 9 9 A 39 GLY N A 39 GLY H 1.0 . . . 10 10 A 82 VAL N A 82 VAL H 1.0 . . . 11 11 A 91 GLU N A 91 GLU H 1.0 . . . 12 12 A 101 PHE N A 101 PHE H 1.0 . . . 13 13 A 106 LYS N A 106 LYS H 1.0 . . . 14 14 A 110 MET N A 110 MET H 1.0 . . . 15 15 A 122 ASN N A 122 ASN H 1.0 . . . 16 16 A 131 VAL N A 131 VAL H 1.0 . . . 17 17 A 134 MET N A 134 MET H 1.0 . . . stop_ save_