data_nef_c15189_2jop 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 41 CYS SG 1 83 CYS SG 1 57 CYS SG 1 122 CYS SG 1 78 CYS SG 1 129 CYS SG 1 104 CYS SG 1 114 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 4 MET start . . 2 A 5 GLY middle . false 3 A 6 SER middle . . 4 A 7 SER middle . . 5 A 8 HIS middle . . 6 A 9 HIS middle . . 7 A 10 HIS middle . . 8 A 11 HIS middle . . 9 A 12 HIS middle . . 10 A 13 HIS middle . . 11 A 14 SER middle . . 12 A 15 SER middle . . 13 A 16 GLY middle . false 14 A 17 LEU middle . . 15 A 18 VAL middle . . 16 A 19 PRO middle . false 17 A 20 ARG middle . . 18 A 21 GLY middle . false 19 A 22 SER middle . . 20 A 23 HIS middle . . 21 A 24 MET middle . . 22 A 25 ARG middle . . 23 A 26 LEU middle . . 24 A 27 SER middle . . 25 A 28 TRP middle . . 26 A 29 TYR middle . . 27 A 30 ASP middle . . 28 A 31 PRO middle . false 29 A 32 ASP middle . . 30 A 33 PHE middle . . 31 A 34 GLN middle . . 32 A 35 ALA middle . . 33 A 36 ARG middle . . 34 A 37 LEU middle . . 35 A 38 THR middle . . 36 A 39 ARG middle . . 37 A 40 SER middle . . 38 A 41 ASN middle . . 39 A 42 SER middle . . 40 A 43 LYS middle . . 41 A 44 CYS middle -HG . 42 A 45 GLN middle . . 43 A 46 GLY middle . false 44 A 47 GLN middle . . 45 A 48 LEU middle . . 46 A 49 GLU middle . . 47 A 50 VAL middle . . 48 A 51 TYR middle . . 49 A 52 LEU middle . . 50 A 53 LYS middle . . 51 A 54 ASP middle . . 52 A 55 GLY middle . false 53 A 56 TRP middle . . 54 A 57 HIS middle . . 55 A 58 MET middle . . 56 A 59 VAL middle . . 57 A 60 CYS middle -HG . 58 A 61 SER middle . . 59 A 62 GLN middle . . 60 A 63 SER middle . . 61 A 64 TRP middle . . 62 A 65 GLY middle . false 63 A 66 ARG middle . . 64 A 67 SER middle . . 65 A 68 SER middle . . 66 A 69 LYS middle . . 67 A 70 GLN middle . . 68 A 71 TRP middle . . 69 A 72 GLU middle . . 70 A 73 ASP middle . . 71 A 74 PRO middle . false 72 A 75 SER middle . . 73 A 76 GLN middle . . 74 A 77 ALA middle . . 75 A 78 SER middle . . 76 A 79 LYS middle . . 77 A 80 VAL middle . . 78 A 81 CYS middle -HG . 79 A 82 GLN middle . . 80 A 83 ARG middle . . 81 A 84 LEU middle . . 82 A 85 ASN middle . . 83 A 86 CYS middle -HG . 84 A 87 GLY middle . false 85 A 88 ASP middle . . 86 A 89 PRO middle . false 87 A 90 LEU middle . . 88 A 91 SER middle . . 89 A 92 LEU middle . . 90 A 93 GLY middle . false 91 A 94 PRO middle . false 92 A 95 PHE middle . . 93 A 96 LEU middle . . 94 A 97 LYS middle . . 95 A 98 THR middle . . 96 A 99 TYR middle . . 97 A 100 THR middle . . 98 A 101 PRO middle . false 99 A 102 GLN middle . . 100 A 103 SER middle . . 101 A 104 SER middle . . 102 A 105 ILE middle . . 103 A 106 ILE middle . . 104 A 107 CYS middle -HG . 105 A 108 TYR middle . . 106 A 109 GLY middle . false 107 A 110 GLN middle . . 108 A 111 LEU middle . . 109 A 112 GLY middle . false 110 A 113 SER middle . . 111 A 114 PHE middle . . 112 A 115 SER middle . . 113 A 116 ASN middle . . 114 A 117 CYS middle -HG . 115 A 118 SER middle . . 116 A 119 HIS middle . . 117 A 120 SER middle . . 118 A 121 ARG middle . . 119 A 122 ASN middle . . 120 A 123 ASP middle . . 121 A 124 MET middle . . 122 A 125 CYS middle -HG . 123 A 126 HIS middle . . 124 A 127 SER middle . . 125 A 128 LEU middle . . 126 A 129 GLY middle . false 127 A 130 LEU middle . . 128 A 131 THR middle . . 129 A 132 CYS middle -HG . 130 A 133 LEU middle . . 131 A 134 GLU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 25 ARG H H 1 8.257 0.02 A 25 ARG C C 13 175.641 0.4 A 25 ARG N N 15 122.368 0.1 A 26 LEU H H 1 8.073 0.02 A 26 LEU HA H 1 4.611 0.02 A 26 LEU HBx H 1 1.564 0.02 A 26 LEU HBy H 1 1.646 0.02 A 26 LEU HDx% H 1 0.929 0.02 A 26 LEU HDy% H 1 1.039 0.02 A 26 LEU HG H 1 1.565 0.02 A 26 LEU C C 13 175.4 0.4 A 26 LEU CA C 13 54.853 0.4 A 26 LEU CB C 13 43.099 0.4 A 26 LEU CDx C 13 24.637 0.4 A 26 LEU CDy C 13 24.768 0.4 A 26 LEU CG C 13 27.468 0.4 A 26 LEU N N 15 122.888 0.1 A 27 SER H H 1 8.486 0.02 A 27 SER HA H 1 5.47 0.02 A 27 SER HBx H 1 3.781 0.02 A 27 SER HBy H 1 3.876 0.02 A 27 SER C C 13 174.585 0.4 A 27 SER CA C 13 56.617 0.4 A 27 SER CB C 13 67.205 0.4 A 27 SER N N 15 119.474 0.1 A 28 TRP H H 1 8.395 0.02 A 28 TRP HA H 1 3.574 0.02 A 28 TRP HBx H 1 2.394 0.02 A 28 TRP HBy H 1 2.849 0.02 A 28 TRP HD1 H 1 5.216 0.02 A 28 TRP HE1 H 1 8.45 0.02 A 28 TRP HE3 H 1 7.285 0.02 A 28 TRP HH2 H 1 6.914 0.02 A 28 TRP HZ2 H 1 6.825 0.02 A 28 TRP HZ3 H 1 6.932 0.02 A 28 TRP C C 13 175.188 0.4 A 28 TRP CA C 13 54.858 0.4 A 28 TRP CB C 13 26.868 0.4 A 28 TRP CD1 C 13 122.085 0.4 A 28 TRP CE3 C 13 119.439 0.4 A 28 TRP CH2 C 13 120.823 0.4 A 28 TRP CZ2 C 13 113.174 0.4 A 28 TRP CZ3 C 13 124.513 0.4 A 28 TRP N N 15 117.584 0.1 A 28 TRP NE1 N 15 126.209 0.1 A 29 TYR H H 1 7.822 0.02 A 29 TYR HA H 1 4.328 0.02 A 29 TYR HBx H 1 2.718 0.02 A 29 TYR HBy H 1 3.283 0.02 A 29 TYR HD1 H 1 7.128 0.02 A 29 TYR HD2 H 1 7.128 0.02 A 29 TYR HE1 H 1 6.997 0.02 A 29 TYR HE2 H 1 6.997 0.02 A 29 TYR C C 13 175.742 0.4 A 29 TYR CA C 13 58.111 0.4 A 29 TYR CB C 13 38.02 0.4 A 29 TYR CD1 C 13 133.26 0.4 A 29 TYR CD2 C 13 133.26 0.4 A 29 TYR CE1 C 13 119.431 0.4 A 29 TYR CE2 C 13 119.431 0.4 A 29 TYR N N 15 117.941 0.1 A 30 ASP H H 1 7.585 0.02 A 30 ASP HA H 1 4.838 0.02 A 30 ASP HBx H 1 2.98 0.02 A 30 ASP HBy H 1 3.079 0.02 A 30 ASP CA C 13 53.209 0.4 A 30 ASP CB C 13 41.774 0.4 A 30 ASP N N 15 122.466 0.1 A 31 PRO HA H 1 4.364 0.02 A 31 PRO HBx H 1 1.974 0.02 A 31 PRO HBy H 1 2.357 0.02 A 31 PRO HDx H 1 3.868 0.02 A 31 PRO HDy H 1 3.917 0.02 A 31 PRO HGx H 1 1.992 0.02 A 31 PRO HGy H 1 2.068 0.02 A 31 PRO C C 13 176.521 0.4 A 31 PRO CA C 13 64.762 0.4 A 31 PRO CB C 13 32.094 0.4 A 31 PRO CD C 13 50.959 0.4 A 31 PRO CG C 13 27.52 0.4 A 32 ASP H H 1 8.394 0.02 A 32 ASP HA H 1 4.673 0.02 A 32 ASP HB2 H 1 2.698 0.02 A 32 ASP HB3 H 1 2.698 0.02 A 32 ASP C C 13 175.723 0.4 A 32 ASP CA C 13 53.233 0.4 A 32 ASP CB C 13 40.333 0.4 A 32 ASP N N 15 114.729 0.1 A 33 PHE H H 1 7.459 0.02 A 33 PHE HA H 1 4.197 0.02 A 33 PHE HBx H 1 2.969 0.02 A 33 PHE HBy H 1 3.34 0.02 A 33 PHE HD1 H 1 7.023 0.02 A 33 PHE HD2 H 1 7.023 0.02 A 33 PHE HE1 H 1 6.723 0.02 A 33 PHE HE2 H 1 6.723 0.02 A 33 PHE HZ H 1 6.194 0.02 A 33 PHE C C 13 174.902 0.4 A 33 PHE CA C 13 59.483 0.4 A 33 PHE CB C 13 40.253 0.4 A 33 PHE CD1 C 13 132.193 0.4 A 33 PHE CD2 C 13 132.193 0.4 A 33 PHE CE1 C 13 130.443 0.4 A 33 PHE CE2 C 13 130.443 0.4 A 33 PHE CZ C 13 130.453 0.4 A 33 PHE N N 15 122.392 0.1 A 34 GLN H H 1 8.138 0.02 A 34 GLN HA H 1 4.383 0.02 A 34 GLN HBx H 1 1.698 0.02 A 34 GLN HBy H 1 1.77 0.02 A 34 GLN HGx H 1 2.063 0.02 A 34 GLN HGy H 1 2.201 0.02 A 34 GLN C C 13 172.216 0.4 A 34 GLN CA C 13 55.624 0.4 A 34 GLN CB C 13 31.013 0.4 A 34 GLN CG C 13 33.883 0.4 A 34 GLN N N 15 128.673 0.1 A 35 ALA H H 1 7.732 0.02 A 35 ALA HA H 1 5.608 0.02 A 35 ALA HB% H 1 1.349 0.02 A 35 ALA C C 13 175.51 0.4 A 35 ALA CA C 13 49.978 0.4 A 35 ALA CB C 13 23.642 0.4 A 35 ALA N N 15 124.117 0.1 A 36 ARG H H 1 9.155 0.02 A 36 ARG HA H 1 4.512 0.02 A 36 ARG HBx H 1 1.327 0.02 A 36 ARG HBy H 1 1.477 0.02 A 36 ARG HDx H 1 1.023 0.02 A 36 ARG HDy H 1 2.062 0.02 A 36 ARG HGx H 1 0.702 0.02 A 36 ARG HGy H 1 1.011 0.02 A 36 ARG C C 13 172.026 0.4 A 36 ARG CA C 13 54.741 0.4 A 36 ARG CB C 13 32.663 0.4 A 36 ARG CD C 13 42.641 0.4 A 36 ARG CG C 13 25.39 0.4 A 36 ARG N N 15 116.738 0.1 A 37 LEU H H 1 8.133 0.02 A 37 LEU HA H 1 5.353 0.02 A 37 LEU HBx H 1 0.593 0.02 A 37 LEU HBy H 1 1.482 0.02 A 37 LEU HDx% H 1 0.515 0.02 A 37 LEU HDy% H 1 0.639 0.02 A 37 LEU HG H 1 1.363 0.02 A 37 LEU C C 13 177.899 0.4 A 37 LEU CA C 13 52.621 0.4 A 37 LEU CB C 13 42.528 0.4 A 37 LEU CDy C 13 24.751 0.4 A 37 LEU CDx C 13 23.528 0.4 A 37 LEU CG C 13 26.302 0.4 A 37 LEU N N 15 119.054 0.1 A 38 THR H H 1 8.844 0.02 A 38 THR HA H 1 4.649 0.02 A 38 THR HB H 1 4.149 0.02 A 38 THR HG2% H 1 0.756 0.02 A 38 THR C C 13 174.739 0.4 A 38 THR CA C 13 59.994 0.4 A 38 THR CB C 13 71.345 0.4 A 38 THR CG2 C 13 21.968 0.4 A 38 THR N N 15 113.747 0.1 A 39 ARG H H 1 8.403 0.02 A 39 ARG HA H 1 3.841 0.02 A 39 ARG HB2 H 1 2.058 0.02 A 39 ARG HB3 H 1 2.058 0.02 A 39 ARG HDx H 1 2.951 0.02 A 39 ARG HDy H 1 3.052 0.02 A 39 ARG HGx H 1 1.576 0.02 A 39 ARG HGy H 1 2.065 0.02 A 39 ARG C C 13 175.541 0.4 A 39 ARG CA C 13 57.162 0.4 A 39 ARG CB C 13 27.348 0.4 A 39 ARG CD C 13 43.261 0.4 A 39 ARG CG C 13 26.896 0.4 A 39 ARG N N 15 111.353 0.1 A 40 SER H H 1 7.941 0.02 A 40 SER HA H 1 4.784 0.02 A 40 SER HBx H 1 3.758 0.02 A 40 SER HBy H 1 3.874 0.02 A 40 SER CA C 13 56.539 0.4 A 40 SER CB C 13 65.693 0.4 A 40 SER N N 15 113.204 0.1 A 41 ASN HA H 1 4.779 0.02 A 41 ASN HBx H 1 2.73 0.02 A 41 ASN HBy H 1 2.875 0.02 A 41 ASN C C 13 174.712 0.4 A 41 ASN CA C 13 53.222 0.4 A 41 ASN CB C 13 38.718 0.4 A 42 SER H H 1 8.139 0.02 A 42 SER HA H 1 4.684 0.02 A 42 SER HBx H 1 3.611 0.02 A 42 SER HBy H 1 3.851 0.02 A 42 SER C C 13 174.082 0.4 A 42 SER CA C 13 56.628 0.4 A 42 SER CB C 13 64.78 0.4 A 42 SER N N 15 114.195 0.1 A 43 LYS H H 1 8.437 0.02 A 43 LYS HA H 1 4.182 0.02 A 43 LYS HB2 H 1 1.827 0.02 A 43 LYS HB3 H 1 1.827 0.02 A 43 LYS HD2 H 1 1.673 0.02 A 43 LYS HD3 H 1 1.673 0.02 A 43 LYS HE2 H 1 2.999 0.02 A 43 LYS HE3 H 1 2.999 0.02 A 43 LYS HG2 H 1 1.459 0.02 A 43 LYS HG3 H 1 1.459 0.02 A 43 LYS CA C 13 57.878 0.4 A 43 LYS CB C 13 32.852 0.4 A 43 LYS CD C 13 29.205 0.4 A 43 LYS CE C 13 42.105 0.4 A 43 LYS CG C 13 24.794 0.4 A 43 LYS N N 15 122.887 0.1 A 44 CYS C C 13 172.4 0.4 A 45 GLN H H 1 7.147 0.02 A 45 GLN HA H 1 5.347 0.02 A 45 GLN HBx H 1 2.045 0.02 A 45 GLN HBy H 1 2.086 0.02 A 45 GLN HG2 H 1 2.255 0.02 A 45 GLN HG3 H 1 2.255 0.02 A 45 GLN C C 13 173.446 0.4 A 45 GLN CA C 13 54.097 0.4 A 45 GLN CB C 13 32.969 0.4 A 45 GLN CG C 13 33.44 0.4 A 45 GLN N N 15 115.697 0.1 A 46 GLY H H 1 8.19 0.02 A 46 GLY HA2 H 1 3.54 0.02 A 46 GLY HA3 H 1 4.382 0.02 A 46 GLY C C 13 170.949 0.4 A 46 GLY CA C 13 44.497 0.4 A 46 GLY N N 15 107.253 0.1 A 47 GLN H H 1 8.768 0.02 A 47 GLN HA H 1 4.053 0.02 A 47 GLN HBx H 1 1.421 0.02 A 47 GLN HBy H 1 1.998 0.02 A 47 GLN HG2 H 1 1.987 0.02 A 47 GLN HG3 H 1 1.987 0.02 A 47 GLN C C 13 175.464 0.4 A 47 GLN CA C 13 55.466 0.4 A 47 GLN CB C 13 30.127 0.4 A 47 GLN CG C 13 35.115 0.4 A 47 GLN N N 15 121.246 0.1 A 48 LEU H H 1 8.304 0.02 A 48 LEU HA H 1 4.559 0.02 A 48 LEU HBx H 1 1.13 0.02 A 48 LEU HBy H 1 1.963 0.02 A 48 LEU HDx% H 1 0.931 0.02 A 48 LEU HDy% H 1 1.129 0.02 A 48 LEU HG H 1 1.632 0.02 A 48 LEU C C 13 175.3 0.4 A 48 LEU CA C 13 55.693 0.4 A 48 LEU CB C 13 43.025 0.4 A 48 LEU CDx C 13 24.319 0.4 A 48 LEU CDy C 13 26.533 0.4 A 48 LEU CG C 13 27.698 0.4 A 48 LEU N N 15 126.508 0.1 A 49 GLU H H 1 9.135 0.02 A 49 GLU HA H 1 5.466 0.02 A 49 GLU HBx H 1 1.671 0.02 A 49 GLU HBy H 1 2.006 0.02 A 49 GLU HGx H 1 1.984 0.02 A 49 GLU HGy H 1 2.272 0.02 A 49 GLU C C 13 175.52 0.4 A 49 GLU CA C 13 54.462 0.4 A 49 GLU CB C 13 33.596 0.4 A 49 GLU CG C 13 37.079 0.4 A 49 GLU N N 15 126.891 0.1 A 50 VAL H H 1 8.882 0.02 A 50 VAL HA H 1 5.087 0.02 A 50 VAL HB H 1 1.692 0.02 A 50 VAL HGx% H 1 0.718 0.02 A 50 VAL HGy% H 1 0.79 0.02 A 50 VAL C C 13 173.935 0.4 A 50 VAL CA C 13 58.818 0.4 A 50 VAL CB C 13 35 0.4 A 50 VAL CGx C 13 19.105 0.4 A 50 VAL CGy C 13 21.432 0.4 A 50 VAL N N 15 114.145 0.1 A 51 TYR H H 1 7.314 0.02 A 51 TYR HA H 1 3.884 0.02 A 51 TYR HBx H 1 0.177 0.02 A 51 TYR HBy H 1 2.037 0.02 A 51 TYR HD1 H 1 5.367 0.02 A 51 TYR HD2 H 1 5.367 0.02 A 51 TYR HE1 H 1 6.286 0.02 A 51 TYR HE2 H 1 6.286 0.02 A 51 TYR C C 13 174.575 0.4 A 51 TYR CA C 13 56.978 0.4 A 51 TYR CB C 13 37.557 0.4 A 51 TYR CD1 C 13 132.43 0.4 A 51 TYR CD2 C 13 132.43 0.4 A 51 TYR CE1 C 13 117.201 0.4 A 51 TYR CE2 C 13 117.201 0.4 A 51 TYR N N 15 126.858 0.1 A 52 LEU H H 1 7.7 0.02 A 52 LEU HA H 1 4.437 0.02 A 52 LEU HBx H 1 1.421 0.02 A 52 LEU HBy H 1 1.638 0.02 A 52 LEU HDx% H 1 0.805 0.02 A 52 LEU HDy% H 1 0.817 0.02 A 52 LEU HG H 1 1.404 0.02 A 52 LEU C C 13 176.235 0.4 A 52 LEU CA C 13 53.277 0.4 A 52 LEU CB C 13 44.065 0.4 A 52 LEU CDy C 13 25.462 0.4 A 52 LEU CDx C 13 23.84 0.4 A 52 LEU CG C 13 27.464 0.4 A 52 LEU N N 15 127.271 0.1 A 53 LYS H H 1 8.294 0.02 A 53 LYS HA H 1 3.677 0.02 A 53 LYS HB2 H 1 1.79 0.02 A 53 LYS HB3 H 1 1.79 0.02 A 53 LYS HD2 H 1 1.598 0.02 A 53 LYS HD3 H 1 1.598 0.02 A 53 LYS HE2 H 1 2.925 0.02 A 53 LYS HE3 H 1 2.925 0.02 A 53 LYS HG2 H 1 1.321 0.02 A 53 LYS HG3 H 1 1.321 0.02 A 53 LYS C C 13 176.382 0.4 A 53 LYS CA C 13 59.26 0.4 A 53 LYS CB C 13 31.259 0.4 A 53 LYS CD C 13 29.013 0.4 A 53 LYS CE C 13 41.966 0.4 A 53 LYS CG C 13 24.901 0.4 A 53 LYS N N 15 119.323 0.1 A 54 ASP H H 1 8.333 0.02 A 54 ASP HA H 1 4.373 0.02 A 54 ASP HBx H 1 2.531 0.02 A 54 ASP HBy H 1 2.866 0.02 A 54 ASP C C 13 175.335 0.4 A 54 ASP CA C 13 53.191 0.4 A 54 ASP CB C 13 40.149 0.4 A 54 ASP N N 15 115.338 0.1 A 55 GLY H H 1 6.828 0.02 A 55 GLY HA2 H 1 3.322 0.02 A 55 GLY HA3 H 1 3.967 0.02 A 55 GLY C C 13 171.236 0.4 A 55 GLY CA C 13 44.248 0.4 A 55 GLY N N 15 107.061 0.1 A 56 TRP H H 1 7.938 0.02 A 56 TRP HA H 1 4.796 0.02 A 56 TRP HBx H 1 2.81 0.02 A 56 TRP HBy H 1 2.995 0.02 A 56 TRP HD1 H 1 7.255 0.02 A 56 TRP HE1 H 1 9.905 0.02 A 56 TRP HE3 H 1 7.015 0.02 A 56 TRP HH2 H 1 6.675 0.02 A 56 TRP HZ2 H 1 7.137 0.02 A 56 TRP HZ3 H 1 6.676 0.02 A 56 TRP C C 13 177.931 0.4 A 56 TRP CA C 13 56.769 0.4 A 56 TRP CB C 13 30.787 0.4 A 56 TRP CD1 C 13 127.694 0.4 A 56 TRP CE3 C 13 119.626 0.4 A 56 TRP CH2 C 13 122.219 0.4 A 56 TRP CZ2 C 13 114.886 0.4 A 56 TRP CZ3 C 13 123.323 0.4 A 56 TRP N N 15 119.221 0.1 A 56 TRP NE1 N 15 129.884 0.1 A 57 HIS H H 1 9.154 0.02 A 57 HIS HA H 1 5.014 0.02 A 57 HIS HBx H 1 2.656 0.02 A 57 HIS HBy H 1 3.291 0.02 A 57 HIS C C 13 174.931 0.4 A 57 HIS CA C 13 54.919 0.4 A 57 HIS CB C 13 33.415 0.4 A 57 HIS N N 15 117.884 0.1 A 58 MET H H 1 8.457 0.02 A 58 MET HA H 1 5.136 0.02 A 58 MET HBx H 1 2.063 0.02 A 58 MET HBy H 1 2.174 0.02 A 58 MET HE% H 1 2.026 0.02 A 58 MET HGx H 1 2.46 0.02 A 58 MET HGy H 1 2.498 0.02 A 58 MET C C 13 174.196 0.4 A 58 MET CA C 13 55.946 0.4 A 58 MET CB C 13 32.552 0.4 A 58 MET CE C 13 18.405 0.4 A 58 MET CG C 13 32.5 0.4 A 58 MET N N 15 121.928 0.1 A 59 VAL H H 1 8.627 0.02 A 59 VAL HA H 1 4.387 0.02 A 59 VAL HB H 1 2.098 0.02 A 59 VAL HGx% H 1 0.777 0.02 A 59 VAL HGy% H 1 1.162 0.02 A 59 VAL C C 13 175.575 0.4 A 59 VAL CA C 13 61.612 0.4 A 59 VAL CB C 13 34.25 0.4 A 59 VAL CGx C 13 21.182 0.4 A 59 VAL CGy C 13 22.655 0.4 A 59 VAL N N 15 122.395 0.1 A 60 CYS H H 1 9.069 0.02 A 60 CYS HA H 1 4.695 0.02 A 60 CYS HBx H 1 2.619 0.02 A 60 CYS HBy H 1 3.4 0.02 A 60 CYS C C 13 177.893 0.4 A 60 CYS CA C 13 55.445 0.4 A 60 CYS CB C 13 38.263 0.4 A 60 CYS N N 15 123.839 0.1 A 61 SER H H 1 9.394 0.02 A 61 SER HA H 1 4.073 0.02 A 61 SER HBx H 1 3.74 0.02 A 61 SER HBy H 1 4.107 0.02 A 61 SER C C 13 173.681 0.4 A 61 SER CA C 13 62.32 0.4 A 61 SER CB C 13 63.101 0.4 A 61 SER N N 15 121.008 0.1 A 62 GLN H H 1 8.454 0.02 A 62 GLN HA H 1 4.747 0.02 A 62 GLN HB2 H 1 2.081 0.02 A 62 GLN HB3 H 1 2.081 0.02 A 62 GLN HGx H 1 2.135 0.02 A 62 GLN HGy H 1 2.465 0.02 A 62 GLN C C 13 175.547 0.4 A 62 GLN CA C 13 56.116 0.4 A 62 GLN CB C 13 27.684 0.4 A 62 GLN CG C 13 34.303 0.4 A 62 GLN N N 15 120.169 0.1 A 63 SER H H 1 7.424 0.02 A 63 SER HA H 1 3.848 0.02 A 63 SER HBx H 1 1.719 0.02 A 63 SER HBy H 1 2.793 0.02 A 63 SER C C 13 172.608 0.4 A 63 SER CA C 13 61.005 0.4 A 63 SER CB C 13 63.751 0.4 A 63 SER N N 15 117.113 0.1 A 64 TRP H H 1 8.385 0.02 A 64 TRP HA H 1 4.141 0.02 A 64 TRP HBx H 1 3.13 0.02 A 64 TRP HBy H 1 3.328 0.02 A 64 TRP HD1 H 1 6.311 0.02 A 64 TRP HE1 H 1 10.255 0.02 A 64 TRP HE3 H 1 7.224 0.02 A 64 TRP HH2 H 1 6.864 0.02 A 64 TRP HZ2 H 1 5.638 0.02 A 64 TRP HZ3 H 1 6.436 0.02 A 64 TRP C C 13 176.487 0.4 A 64 TRP CA C 13 59.426 0.4 A 64 TRP CB C 13 24.476 0.4 A 64 TRP CD1 C 13 127.502 0.4 A 64 TRP CE3 C 13 121.325 0.4 A 64 TRP CH2 C 13 121.41 0.4 A 64 TRP CZ2 C 13 113.379 0.4 A 64 TRP CZ3 C 13 123.621 0.4 A 64 TRP N N 15 115.616 0.1 A 64 TRP NE1 N 15 131.598 0.1 A 65 GLY H H 1 8.17 0.02 A 65 GLY HA2 H 1 3.85 0.02 A 65 GLY HA3 H 1 4.003 0.02 A 65 GLY C C 13 175.346 0.4 A 65 GLY CA C 13 46.043 0.4 A 65 GLY N N 15 105.538 0.1 A 66 ARG H H 1 7.203 0.02 A 66 ARG HA H 1 4.188 0.02 A 66 ARG HBx H 1 1.766 0.02 A 66 ARG HBy H 1 2.173 0.02 A 66 ARG HDx H 1 2.567 0.02 A 66 ARG HDy H 1 2.674 0.02 A 66 ARG HG2 H 1 1.455 0.02 A 66 ARG HG3 H 1 1.455 0.02 A 66 ARG C C 13 176.553 0.4 A 66 ARG CA C 13 55.679 0.4 A 66 ARG CB C 13 30.431 0.4 A 66 ARG CD C 13 42.448 0.4 A 66 ARG CG C 13 27.2 0.4 A 66 ARG N N 15 119.895 0.1 A 67 SER H H 1 8.09 0.02 A 67 SER HA H 1 4.547 0.02 A 67 SER HBx H 1 3.874 0.02 A 67 SER HBy H 1 3.969 0.02 A 67 SER C C 13 175.259 0.4 A 67 SER CA C 13 57.56 0.4 A 67 SER CB C 13 64.212 0.4 A 67 SER N N 15 114.627 0.1 A 68 SER H H 1 8.428 0.02 A 68 SER HA H 1 4.251 0.02 A 68 SER HBx H 1 3.829 0.02 A 68 SER HBy H 1 3.883 0.02 A 68 SER C C 13 174.345 0.4 A 68 SER CA C 13 59.125 0.4 A 68 SER CB C 13 62.438 0.4 A 68 SER N N 15 116.655 0.1 A 69 LYS H H 1 7.916 0.02 A 69 LYS HA H 1 4.399 0.02 A 69 LYS HBx H 1 1.716 0.02 A 69 LYS HBy H 1 1.894 0.02 A 69 LYS HD2 H 1 1.66 0.02 A 69 LYS HD3 H 1 1.66 0.02 A 69 LYS HE2 H 1 2.971 0.02 A 69 LYS HE3 H 1 2.971 0.02 A 69 LYS HG2 H 1 1.371 0.02 A 69 LYS HG3 H 1 1.371 0.02 A 69 LYS C C 13 176.26 0.4 A 69 LYS CA C 13 55.704 0.4 A 69 LYS CB C 13 33.739 0.4 A 69 LYS CD C 13 29.088 0.4 A 69 LYS CE C 13 41.986 0.4 A 69 LYS CG C 13 24.499 0.4 A 69 LYS N N 15 120.615 0.1 A 70 GLN H H 1 8.06 0.02 A 70 GLN HA H 1 4.481 0.02 A 70 GLN HB2 H 1 2.061 0.02 A 70 GLN HB3 H 1 2.061 0.02 A 70 GLN HG2 H 1 2.363 0.02 A 70 GLN HG3 H 1 2.363 0.02 A 70 GLN C C 13 176.212 0.4 A 70 GLN CA C 13 56.67 0.4 A 70 GLN CB C 13 29.165 0.4 A 70 GLN CG C 13 34.016 0.4 A 70 GLN N N 15 119.312 0.1 A 71 TRP H H 1 8.704 0.02 A 71 TRP HA H 1 4.734 0.02 A 71 TRP HBx H 1 3.103 0.02 A 71 TRP HBy H 1 3.597 0.02 A 71 TRP HD1 H 1 7.539 0.02 A 71 TRP HE1 H 1 10.465 0.02 A 71 TRP HE3 H 1 7.667 0.02 A 71 TRP HH2 H 1 7.06 0.02 A 71 TRP HZ2 H 1 7.836 0.02 A 71 TRP HZ3 H 1 7.278 0.02 A 71 TRP C C 13 176.872 0.4 A 71 TRP CA C 13 57.331 0.4 A 71 TRP CB C 13 28.823 0.4 A 71 TRP CD1 C 13 126.443 0.4 A 71 TRP CE3 C 13 121.454 0.4 A 71 TRP CH2 C 13 121.413 0.4 A 71 TRP CZ2 C 13 114.925 0.4 A 71 TRP CZ3 C 13 124.623 0.4 A 71 TRP N N 15 124.356 0.1 A 71 TRP NE1 N 15 129.815 0.1 A 72 GLU H H 1 8.585 0.02 A 72 GLU HA H 1 4.325 0.02 A 72 GLU HBx H 1 2.008 0.02 A 72 GLU HBy H 1 2.129 0.02 A 72 GLU HG2 H 1 2.356 0.02 A 72 GLU HG3 H 1 2.356 0.02 A 72 GLU C C 13 176.048 0.4 A 72 GLU CA C 13 57.522 0.4 A 72 GLU CB C 13 30.091 0.4 A 72 GLU CG C 13 36.13 0.4 A 72 GLU N N 15 121.287 0.1 A 73 ASP H H 1 8.385 0.02 A 73 ASP HA H 1 5.17 0.02 A 73 ASP HBx H 1 2.678 0.02 A 73 ASP HBy H 1 2.883 0.02 A 73 ASP CA C 13 50.892 0.4 A 73 ASP CB C 13 41.174 0.4 A 73 ASP N N 15 117.025 0.1 A 74 PRO HA H 1 4.37 0.02 A 74 PRO HBx H 1 1.677 0.02 A 74 PRO HBy H 1 1.937 0.02 A 74 PRO HDx H 1 3.784 0.02 A 74 PRO HDy H 1 3.996 0.02 A 74 PRO HGx H 1 1.862 0.02 A 74 PRO HGy H 1 1.952 0.02 A 74 PRO C C 13 176.757 0.4 A 74 PRO CA C 13 63.914 0.4 A 74 PRO CB C 13 31.633 0.4 A 74 PRO CD C 13 50.723 0.4 A 74 PRO CG C 13 26.765 0.4 A 75 SER H H 1 8.024 0.02 A 75 SER HB2 H 1 3.953 0.02 A 75 SER HB3 H 1 3.953 0.02 A 75 SER C C 13 177.139 0.4 A 75 SER CB C 13 62.045 0.4 A 75 SER N N 15 114.645 0.1 A 76 GLN H H 1 7.808 0.02 A 76 GLN HA H 1 4.342 0.02 A 76 GLN HBx H 1 2.014 0.02 A 76 GLN HBy H 1 2.565 0.02 A 76 GLN HG2 H 1 2.58 0.02 A 76 GLN HG3 H 1 2.58 0.02 A 76 GLN C C 13 176.231 0.4 A 76 GLN CA C 13 57.595 0.4 A 76 GLN CB C 13 28.702 0.4 A 76 GLN CG C 13 33.99 0.4 A 76 GLN N N 15 120.745 0.1 A 77 ALA H H 1 7.718 0.02 A 77 ALA HA H 1 3.67 0.02 A 77 ALA HB% H 1 0.934 0.02 A 77 ALA C C 13 177.14 0.4 A 77 ALA CA C 13 50.952 0.4 A 77 ALA CB C 13 19.042 0.4 A 77 ALA N N 15 118.696 0.1 A 78 SER H H 1 7.635 0.02 A 78 SER HA H 1 3.553 0.02 A 78 SER HB2 H 1 3.95 0.02 A 78 SER HB3 H 1 3.95 0.02 A 78 SER C C 13 176.266 0.4 A 78 SER CA C 13 62.948 0.4 A 78 SER CB C 13 62.358 0.4 A 78 SER N N 15 116.806 0.1 A 79 LYS H H 1 8.365 0.02 A 79 LYS HA H 1 3.969 0.02 A 79 LYS HB2 H 1 1.698 0.02 A 79 LYS HB3 H 1 1.698 0.02 A 79 LYS HD2 H 1 1.681 0.02 A 79 LYS HD3 H 1 1.681 0.02 A 79 LYS HE2 H 1 2.999 0.02 A 79 LYS HE3 H 1 2.999 0.02 A 79 LYS HGx H 1 1.449 0.02 A 79 LYS HGy H 1 1.519 0.02 A 79 LYS C C 13 178.418 0.4 A 79 LYS CA C 13 58.117 0.4 A 79 LYS CB C 13 31.05 0.4 A 79 LYS CD C 13 28.168 0.4 A 79 LYS CE C 13 42.107 0.4 A 79 LYS CG C 13 25.253 0.4 A 79 LYS N N 15 119.627 0.1 A 80 VAL H H 1 6.768 0.02 A 80 VAL HA H 1 3.441 0.02 A 80 VAL HB H 1 1.67 0.02 A 80 VAL HGx% H 1 0.31 0.02 A 80 VAL HGy% H 1 0.562 0.02 A 80 VAL C C 13 177.575 0.4 A 80 VAL CA C 13 65.844 0.4 A 80 VAL CB C 13 30.816 0.4 A 80 VAL CGy C 13 21.728 0.4 A 80 VAL CGx C 13 21.37 0.4 A 80 VAL N N 15 118.506 0.1 A 81 CYS H H 1 7.1 0.02 A 81 CYS HA H 1 4.069 0.02 A 81 CYS HBx H 1 2.605 0.02 A 81 CYS HBy H 1 3.676 0.02 A 81 CYS C C 13 176.831 0.4 A 81 CYS CA C 13 57.795 0.4 A 81 CYS CB C 13 39.441 0.4 A 81 CYS N N 15 114.984 0.1 A 82 GLN H H 1 7.822 0.02 A 82 GLN HA H 1 4.057 0.02 A 82 GLN HB2 H 1 2.076 0.02 A 82 GLN HB3 H 1 2.076 0.02 A 82 GLN HGx H 1 2.307 0.02 A 82 GLN HGy H 1 2.488 0.02 A 82 GLN C C 13 180.468 0.4 A 82 GLN CA C 13 59.29 0.4 A 82 GLN CB C 13 28.65 0.4 A 82 GLN CG C 13 33.838 0.4 A 82 GLN N N 15 118.29 0.1 A 83 ARG H H 1 8.018 0.02 A 83 ARG HA H 1 4.146 0.02 A 83 ARG HB2 H 1 2.098 0.02 A 83 ARG HB3 H 1 2.098 0.02 A 83 ARG HD2 H 1 3.382 0.02 A 83 ARG HD3 H 1 3.382 0.02 A 83 ARG HG2 H 1 1.883 0.02 A 83 ARG HG3 H 1 1.883 0.02 A 83 ARG C C 13 177.797 0.4 A 83 ARG CA C 13 58.22 0.4 A 83 ARG CB C 13 29.167 0.4 A 83 ARG CD C 13 42.992 0.4 A 83 ARG CG C 13 27.552 0.4 A 83 ARG N N 15 121.716 0.1 A 84 LEU H H 1 7.243 0.02 A 84 LEU HA H 1 4.229 0.02 A 84 LEU HB2 H 1 1.702 0.02 A 84 LEU HB3 H 1 1.702 0.02 A 84 LEU HDx% H 1 0.692 0.02 A 84 LEU HDy% H 1 0.806 0.02 A 84 LEU HG H 1 1.76 0.02 A 84 LEU C C 13 175.758 0.4 A 84 LEU CA C 13 54.819 0.4 A 84 LEU CB C 13 42.55 0.4 A 84 LEU CDy C 13 26.32 0.4 A 84 LEU CDx C 13 22.685 0.4 A 84 LEU CG C 13 26.427 0.4 A 84 LEU N N 15 118.226 0.1 A 85 ASN H H 1 8.027 0.02 A 85 ASN HA H 1 4.412 0.02 A 85 ASN HBx H 1 2.949 0.02 A 85 ASN HBy H 1 3.108 0.02 A 85 ASN C C 13 174.824 0.4 A 85 ASN CA C 13 54.407 0.4 A 85 ASN CB C 13 36.793 0.4 A 85 ASN N N 15 112.971 0.1 A 86 CYS H H 1 7.728 0.02 A 86 CYS HA H 1 4.867 0.02 A 86 CYS HBx H 1 2.956 0.02 A 86 CYS HBy H 1 3.225 0.02 A 86 CYS C C 13 173.827 0.4 A 86 CYS CA C 13 54.975 0.4 A 86 CYS CB C 13 44.929 0.4 A 86 CYS N N 15 116.476 0.1 A 87 GLY H H 1 8.328 0.02 A 87 GLY HA2 H 1 3.385 0.02 A 87 GLY HA3 H 1 4.157 0.02 A 87 GLY C C 13 171.505 0.4 A 87 GLY CA C 13 44.235 0.4 A 87 GLY N N 15 109.547 0.1 A 88 ASP H H 1 7.653 0.02 A 88 ASP HA H 1 4.546 0.02 A 88 ASP HBx H 1 2.294 0.02 A 88 ASP HBy H 1 2.524 0.02 A 88 ASP CA C 13 53.511 0.4 A 88 ASP CB C 13 40.151 0.4 A 88 ASP N N 15 116.159 0.1 A 89 PRO HA H 1 4.554 0.02 A 89 PRO HBx H 1 1.544 0.02 A 89 PRO HBy H 1 1.874 0.02 A 89 PRO HDx H 1 3.582 0.02 A 89 PRO HDy H 1 3.67 0.02 A 89 PRO HGx H 1 1.609 0.02 A 89 PRO HGy H 1 1.881 0.02 A 89 PRO C C 13 176.046 0.4 A 89 PRO CA C 13 63.7 0.4 A 89 PRO CB C 13 32.89 0.4 A 89 PRO CD C 13 50.1 0.4 A 89 PRO CG C 13 28.425 0.4 A 90 LEU H H 1 9.215 0.02 A 90 LEU HA H 1 4.49 0.02 A 90 LEU HBx H 1 1.32 0.02 A 90 LEU HBy H 1 1.418 0.02 A 90 LEU HDx% H 1 0.786 0.02 A 90 LEU HDy% H 1 0.774 0.02 A 90 LEU HG H 1 1.49 0.02 A 90 LEU C C 13 177.248 0.4 A 90 LEU CA C 13 55.179 0.4 A 90 LEU CB C 13 44.811 0.4 A 90 LEU CDy C 13 24.523 0.4 A 90 LEU CDx C 13 23.997 0.4 A 90 LEU CG C 13 26.834 0.4 A 90 LEU N N 15 122.564 0.1 A 91 SER H H 1 7.648 0.02 A 91 SER HA H 1 4.64 0.02 A 91 SER HBx H 1 3.634 0.02 A 91 SER HBy H 1 3.699 0.02 A 91 SER C C 13 171.629 0.4 A 91 SER CA C 13 57.435 0.4 A 91 SER CB C 13 65.136 0.4 A 91 SER N N 15 109.627 0.1 A 92 LEU H H 1 8.613 0.02 A 92 LEU HA H 1 5.171 0.02 A 92 LEU HBx H 1 1.111 0.02 A 92 LEU HBy H 1 1.331 0.02 A 92 LEU HDx% H 1 0.51 0.02 A 92 LEU HDy% H 1 0.692 0.02 A 92 LEU HG H 1 1.33 0.02 A 92 LEU C C 13 174.463 0.4 A 92 LEU CA C 13 54.939 0.4 A 92 LEU CB C 13 46.183 0.4 A 92 LEU CDy C 13 26.387 0.4 A 92 LEU CDx C 13 24.562 0.4 A 92 LEU CG C 13 27.897 0.4 A 92 LEU N N 15 124.882 0.1 A 93 GLY H H 1 8.084 0.02 A 93 GLY HA2 H 1 3.677 0.02 A 93 GLY HA3 H 1 4.299 0.02 A 93 GLY CA C 13 45.414 0.4 A 93 GLY N N 15 108.817 0.1 A 94 PRO HA H 1 4.619 0.02 A 94 PRO HBx H 1 1.736 0.02 A 94 PRO HBy H 1 1.963 0.02 A 94 PRO HD2 H 1 3.276 0.02 A 94 PRO HD3 H 1 3.276 0.02 A 94 PRO HGx H 1 1.854 0.02 A 94 PRO HGy H 1 2.018 0.02 A 94 PRO C C 13 176.172 0.4 A 94 PRO CA C 13 63.311 0.4 A 94 PRO CB C 13 31.778 0.4 A 94 PRO CD C 13 49.102 0.4 A 94 PRO CG C 13 27.574 0.4 A 95 PHE H H 1 9.101 0.02 A 95 PHE HA H 1 4.758 0.02 A 95 PHE HBx H 1 2.799 0.02 A 95 PHE HBy H 1 3.158 0.02 A 95 PHE HD1 H 1 7.2 0.02 A 95 PHE HD2 H 1 7.2 0.02 A 95 PHE C C 13 175.437 0.4 A 95 PHE CA C 13 57.182 0.4 A 95 PHE CB C 13 39.706 0.4 A 95 PHE CD1 C 13 131.67 0.4 A 95 PHE CD2 C 13 131.67 0.4 A 95 PHE N N 15 125.498 0.1 A 96 LEU H H 1 7.506 0.02 A 96 LEU HA H 1 4.176 0.02 A 96 LEU HB2 H 1 1.371 0.02 A 96 LEU HB3 H 1 1.371 0.02 A 96 LEU HDx% H 1 0.531 0.02 A 96 LEU HDy% H 1 0.681 0.02 A 96 LEU HG H 1 1.008 0.02 A 96 LEU C C 13 176.862 0.4 A 96 LEU CA C 13 55.192 0.4 A 96 LEU CB C 13 42.817 0.4 A 96 LEU CDx C 13 22.859 0.4 A 96 LEU CDy C 13 25.041 0.4 A 96 LEU CG C 13 26.533 0.4 A 96 LEU N N 15 123.63 0.1 A 97 LYS H H 1 7.42 0.02 A 97 LYS HA H 1 4.099 0.02 A 97 LYS HBx H 1 1.397 0.02 A 97 LYS HBy H 1 1.576 0.02 A 97 LYS HD2 H 1 1.527 0.02 A 97 LYS HD3 H 1 1.527 0.02 A 97 LYS HE2 H 1 2.841 0.02 A 97 LYS HE3 H 1 2.841 0.02 A 97 LYS HG2 H 1 1.058 0.02 A 97 LYS HG3 H 1 1.058 0.02 A 97 LYS C C 13 175.853 0.4 A 97 LYS CA C 13 56.375 0.4 A 97 LYS CB C 13 32.999 0.4 A 97 LYS CD C 13 29.003 0.4 A 97 LYS CE C 13 41.926 0.4 A 97 LYS CG C 13 25.033 0.4 A 97 LYS N N 15 120.068 0.1 A 98 THR H H 1 7.713 0.02 A 98 THR HA H 1 4.308 0.02 A 98 THR HB H 1 4.074 0.02 A 98 THR HG2% H 1 1.136 0.02 A 98 THR C C 13 173.622 0.4 A 98 THR CA C 13 61.405 0.4 A 98 THR CB C 13 70.075 0.4 A 98 THR CG2 C 13 21.549 0.4 A 98 THR N N 15 114.774 0.1 A 99 TYR H H 1 8.265 0.02 A 99 TYR HA H 1 4.692 0.02 A 99 TYR HBx H 1 2.903 0.02 A 99 TYR HBy H 1 3.049 0.02 A 99 TYR HD1 H 1 7.043 0.02 A 99 TYR HD2 H 1 7.043 0.02 A 99 TYR HE1 H 1 6.715 0.02 A 99 TYR HE2 H 1 6.715 0.02 A 99 TYR C C 13 175.314 0.4 A 99 TYR CA C 13 57.766 0.4 A 99 TYR CB C 13 39.281 0.4 A 99 TYR CD1 C 13 133.375 0.4 A 99 TYR CD2 C 13 133.375 0.4 A 99 TYR CE1 C 13 118.141 0.4 A 99 TYR CE2 C 13 118.141 0.4 A 99 TYR N N 15 123.503 0.1 A 100 THR H H 1 7.913 0.02 A 100 THR HA H 1 4.564 0.02 A 100 THR HB H 1 4.118 0.02 A 100 THR HG2% H 1 1.13 0.02 A 100 THR CA C 13 59.112 0.4 A 100 THR CB C 13 69.835 0.4 A 100 THR CG2 C 13 21.545 0.4 A 100 THR N N 15 116.627 0.1 A 101 PRO HA H 1 4.408 0.02 A 101 PRO HBx H 1 1.965 0.02 A 101 PRO HBy H 1 2.226 0.02 A 101 PRO HD2 H 1 3.63 0.02 A 101 PRO HD3 H 1 3.63 0.02 A 101 PRO HG2 H 1 1.963 0.02 A 101 PRO HG3 H 1 1.963 0.02 A 101 PRO C C 13 176.986 0.4 A 101 PRO CA C 13 63.656 0.4 A 101 PRO CD C 13 51.047 0.4 A 101 PRO CG C 13 27.363 0.4 A 102 GLN H H 1 8.251 0.02 A 102 GLN HA H 1 4.335 0.02 A 102 GLN HB2 H 1 2.057 0.02 A 102 GLN HB3 H 1 2.057 0.02 A 102 GLN HG2 H 1 2.362 0.02 A 102 GLN HG3 H 1 2.362 0.02 A 102 GLN CA C 13 56.11 0.4 A 102 GLN N N 15 119.804 0.1 A 103 SER HA H 1 4.555 0.02 A 103 SER HBx H 1 3.939 0.02 A 103 SER HBy H 1 3.991 0.02 A 103 SER C C 13 175.325 0.4 A 103 SER CA C 13 58.534 0.4 A 103 SER CB C 13 63.278 0.4 A 104 SER H H 1 8.279 0.02 A 104 SER HA H 1 5.096 0.02 A 104 SER HBx H 1 3.756 0.02 A 104 SER HBy H 1 3.834 0.02 A 104 SER C C 13 174.531 0.4 A 104 SER CA C 13 57.869 0.4 A 104 SER CB C 13 65.575 0.4 A 104 SER N N 15 119.786 0.1 A 105 ILE H H 1 8.426 0.02 A 105 ILE HA H 1 5.054 0.02 A 105 ILE HB H 1 1.48 0.02 A 105 ILE HD1% H 1 0.683 0.02 A 105 ILE HG1x H 1 1.262 0.02 A 105 ILE HG1y H 1 1.471 0.02 A 105 ILE HG2% H 1 0.295 0.02 A 105 ILE C C 13 173.178 0.4 A 105 ILE CA C 13 58.998 0.4 A 105 ILE CB C 13 41.858 0.4 A 105 ILE CD1 C 13 14.26 0.4 A 105 ILE CG1 C 13 24.433 0.4 A 105 ILE CG2 C 13 16.931 0.4 A 105 ILE N N 15 114.996 0.1 A 106 ILE H H 1 8.609 0.02 A 106 ILE HA H 1 3.936 0.02 A 106 ILE HB H 1 1.313 0.02 A 106 ILE HD1% H 1 0.689 0.02 A 106 ILE HG1x H 1 0.483 0.02 A 106 ILE HG1y H 1 1.164 0.02 A 106 ILE HG2% H 1 0.481 0.02 A 106 ILE C C 13 173.745 0.4 A 106 ILE CA C 13 59.14 0.4 A 106 ILE CB C 13 41.05 0.4 A 106 ILE CD1 C 13 14.26 0.4 A 106 ILE CG1 C 13 28.995 0.4 A 106 ILE CG2 C 13 16.542 0.4 A 106 ILE N N 15 121.361 0.1 A 107 CYS H H 1 7.187 0.02 A 107 CYS HA H 1 4.951 0.02 A 107 CYS HBx H 1 1.398 0.02 A 107 CYS HBy H 1 2.889 0.02 A 107 CYS C C 13 172.326 0.4 A 107 CYS CA C 13 54.862 0.4 A 107 CYS CB C 13 46.483 0.4 A 107 CYS N N 15 123.057 0.1 A 108 TYR H H 1 8.191 0.02 A 108 TYR HA H 1 4.634 0.02 A 108 TYR HBx H 1 2.694 0.02 A 108 TYR HBy H 1 3.121 0.02 A 108 TYR HD1 H 1 7.035 0.02 A 108 TYR HD2 H 1 7.035 0.02 A 108 TYR HE1 H 1 6.582 0.02 A 108 TYR HE2 H 1 6.582 0.02 A 108 TYR C C 13 175.706 0.4 A 108 TYR CA C 13 56.971 0.4 A 108 TYR CB C 13 41.106 0.4 A 108 TYR CD1 C 13 133.377 0.4 A 108 TYR CD2 C 13 133.377 0.4 A 108 TYR CE1 C 13 117.877 0.4 A 108 TYR CE2 C 13 117.877 0.4 A 108 TYR N N 15 120.754 0.1 A 109 GLY H H 1 8.836 0.02 A 109 GLY HAx H 1 3.664 0.02 A 109 GLY HAy H 1 4.459 0.02 A 109 GLY C C 13 173.662 0.4 A 109 GLY CA C 13 44.411 0.4 A 109 GLY N N 15 109.919 0.1 A 110 GLN H H 1 8.295 0.02 A 110 GLN HA H 1 3.962 0.02 A 110 GLN HB2 H 1 1.824 0.02 A 110 GLN HB3 H 1 1.824 0.02 A 110 GLN HG2 H 1 2.297 0.02 A 110 GLN HG3 H 1 2.297 0.02 A 110 GLN C C 13 174.844 0.4 A 110 GLN CA C 13 55.693 0.4 A 110 GLN CB C 13 29.366 0.4 A 110 GLN CG C 13 33.728 0.4 A 110 GLN N N 15 122.863 0.1 A 111 LEU H H 1 7.843 0.02 A 111 LEU HA H 1 2.31 0.02 A 111 LEU HBx H 1 1.253 0.02 A 111 LEU HBy H 1 1.325 0.02 A 111 LEU HDx% H 1 0.552 0.02 A 111 LEU HDy% H 1 0.749 0.02 A 111 LEU HG H 1 0.984 0.02 A 111 LEU C C 13 176.728 0.4 A 111 LEU CA C 13 56.339 0.4 A 111 LEU CB C 13 41.829 0.4 A 111 LEU CDx C 13 24.831 0.4 A 111 LEU CDy C 13 25.712 0.4 A 111 LEU CG C 13 26.532 0.4 A 111 LEU N N 15 123.243 0.1 A 112 GLY H H 1 2.821 0.02 A 112 GLY HA2 H 1 0.452 0.02 A 112 GLY HA3 H 1 2.208 0.02 A 112 GLY C C 13 171.39 0.4 A 112 GLY CA C 13 42.802 0.4 A 112 GLY N N 15 108.808 0.1 A 113 SER H H 1 7.329 0.02 A 113 SER HA H 1 4.472 0.02 A 113 SER HBx H 1 3.823 0.02 A 113 SER HBy H 1 4.004 0.02 A 113 SER C C 13 176.852 0.4 A 113 SER CA C 13 57.74 0.4 A 113 SER CB C 13 64.198 0.4 A 113 SER N N 15 112.313 0.1 A 114 PHE H H 1 9.12 0.02 A 114 PHE HA H 1 4.898 0.02 A 114 PHE HBx H 1 2.415 0.02 A 114 PHE HBy H 1 3.703 0.02 A 114 PHE HD1 H 1 7.197 0.02 A 114 PHE HD2 H 1 7.197 0.02 A 114 PHE HE1 H 1 7.045 0.02 A 114 PHE HE2 H 1 7.045 0.02 A 114 PHE HZ H 1 7.316 0.02 A 114 PHE C C 13 173.828 0.4 A 114 PHE CA C 13 58.017 0.4 A 114 PHE CB C 13 39.012 0.4 A 114 PHE CD1 C 13 133.596 0.4 A 114 PHE CD2 C 13 133.596 0.4 A 114 PHE CE1 C 13 131.504 0.4 A 114 PHE CE2 C 13 131.504 0.4 A 114 PHE CZ C 13 127.735 0.4 A 114 PHE N N 15 126.408 0.1 A 115 SER H H 1 7.687 0.02 A 115 SER HA H 1 4.422 0.02 A 115 SER HB2 H 1 3.94 0.02 A 115 SER HB3 H 1 3.94 0.02 A 115 SER C C 13 174.333 0.4 A 115 SER CA C 13 59.884 0.4 A 115 SER CB C 13 64.121 0.4 A 115 SER N N 15 113.32 0.1 A 116 ASN H H 1 9.119 0.02 A 116 ASN HA H 1 5.031 0.02 A 116 ASN HBx H 1 2.558 0.02 A 116 ASN HBy H 1 2.968 0.02 A 116 ASN C C 13 173.199 0.4 A 116 ASN CA C 13 51.883 0.4 A 116 ASN CB C 13 38.677 0.4 A 116 ASN N N 15 123.006 0.1 A 117 CYS H H 1 8.278 0.02 A 117 CYS HA H 1 5.59 0.02 A 117 CYS HBx H 1 2.453 0.02 A 117 CYS HBy H 1 3.045 0.02 A 117 CYS C C 13 173.841 0.4 A 117 CYS CA C 13 55.576 0.4 A 117 CYS CB C 13 49.475 0.4 A 117 CYS N N 15 118.967 0.1 A 118 SER H H 1 9.063 0.02 A 118 SER HA H 1 4.714 0.02 A 118 SER HB2 H 1 3.836 0.02 A 118 SER HB3 H 1 3.836 0.02 A 118 SER C C 13 173.685 0.4 A 118 SER CA C 13 56.735 0.4 A 118 SER CB C 13 65.691 0.4 A 118 SER N N 15 116.731 0.1 A 119 HIS H H 1 8.692 0.02 A 119 HIS HA H 1 4.821 0.02 A 119 HIS HB2 H 1 3.188 0.02 A 119 HIS HB3 H 1 3.188 0.02 A 119 HIS C C 13 174.943 0.4 A 119 HIS CA C 13 56.07 0.4 A 119 HIS CB C 13 29.264 0.4 A 119 HIS N N 15 120.706 0.1 A 120 SER H H 1 8.181 0.02 A 120 SER HA H 1 4.335 0.02 A 120 SER HB2 H 1 3.638 0.02 A 120 SER HB3 H 1 3.638 0.02 A 120 SER C C 13 174.625 0.4 A 120 SER CA C 13 57.682 0.4 A 120 SER CB C 13 63.852 0.4 A 120 SER N N 15 119.268 0.1 A 121 ARG H H 1 8.469 0.02 A 121 ARG HA H 1 4.296 0.02 A 121 ARG HBx H 1 1.735 0.02 A 121 ARG HBy H 1 1.885 0.02 A 121 ARG HD2 H 1 3.184 0.02 A 121 ARG HD3 H 1 3.184 0.02 A 121 ARG HG2 H 1 1.61 0.02 A 121 ARG HG3 H 1 1.61 0.02 A 121 ARG C C 13 176.3 0.4 A 121 ARG CA C 13 56.569 0.4 A 121 ARG CB C 13 30.518 0.4 A 121 ARG CG C 13 27.257 0.4 A 121 ARG N N 15 124.037 0.1 A 122 ASN H H 1 8.141 0.02 A 122 ASN HA H 1 4.629 0.02 A 122 ASN HBx H 1 2.706 0.02 A 122 ASN HBy H 1 2.825 0.02 A 122 ASN C C 13 174.824 0.4 A 122 ASN CA C 13 53.365 0.4 A 122 ASN CB C 13 38.868 0.4 A 122 ASN N N 15 117.932 0.1 A 123 ASP H H 1 8.139 0.02 A 123 ASP HA H 1 4.443 0.02 A 123 ASP HB2 H 1 2.601 0.02 A 123 ASP HB3 H 1 2.601 0.02 A 123 ASP C C 13 175.735 0.4 A 123 ASP CA C 13 54.715 0.4 A 123 ASP CB C 13 40.979 0.4 A 123 ASP N N 15 119.762 0.1 A 124 MET H H 1 7.837 0.02 A 124 MET HA H 1 4.384 0.02 A 124 MET HBx H 1 1.798 0.02 A 124 MET HBy H 1 1.912 0.02 A 124 MET HGx H 1 2.269 0.02 A 124 MET HGy H 1 2.361 0.02 A 124 MET C C 13 175.514 0.4 A 124 MET CA C 13 54.872 0.4 A 124 MET CB C 13 32.661 0.4 A 124 MET CG C 13 32.057 0.4 A 124 MET N N 15 118.217 0.1 A 125 CYS H H 1 7.777 0.02 A 125 CYS HA H 1 4.669 0.02 A 125 CYS HBx H 1 3.167 0.02 A 125 CYS HBy H 1 3.421 0.02 A 125 CYS CA C 13 55.246 0.4 A 125 CYS CB C 13 43.289 0.4 A 125 CYS N N 15 119.096 0.1 A 126 HIS HA H 1 4.936 0.02 A 126 HIS HB2 H 1 3.135 0.02 A 126 HIS HB3 H 1 3.135 0.02 A 126 HIS C C 13 175.284 0.4 A 126 HIS CA C 13 55.386 0.4 A 126 HIS CB C 13 29.763 0.4 A 127 SER H H 1 9.105 0.02 A 127 SER HA H 1 4.691 0.02 A 127 SER HBx H 1 3.986 0.02 A 127 SER HBy H 1 4.187 0.02 A 127 SER C C 13 173.821 0.4 A 127 SER CA C 13 58.082 0.4 A 127 SER CB C 13 64.672 0.4 A 127 SER N N 15 122.931 0.1 A 128 LEU H H 1 8.803 0.02 A 128 LEU HA H 1 4.35 0.02 A 128 LEU HBx H 1 1.425 0.02 A 128 LEU HBy H 1 1.693 0.02 A 128 LEU HDx% H 1 0.849 0.02 A 128 LEU HDy% H 1 0.805 0.02 A 128 LEU HG H 1 1.49 0.02 A 128 LEU C C 13 176.028 0.4 A 128 LEU CA C 13 54.972 0.4 A 128 LEU CB C 13 44.165 0.4 A 128 LEU CDy C 13 24.94 0.4 A 128 LEU CDx C 13 24.823 0.4 A 128 LEU CG C 13 27.103 0.4 A 128 LEU N N 15 122.497 0.1 A 129 GLY H H 1 9.224 0.02 A 129 GLY HA2 H 1 3.368 0.02 A 129 GLY HA3 H 1 4.754 0.02 A 129 GLY C C 13 170.981 0.4 A 129 GLY CA C 13 44.338 0.4 A 129 GLY N N 15 114.054 0.1 A 130 LEU H H 1 8.38 0.02 A 130 LEU HA H 1 5.048 0.02 A 130 LEU HBx H 1 1.109 0.02 A 130 LEU HBy H 1 1.68 0.02 A 130 LEU HDx% H 1 0.614 0.02 A 130 LEU HDy% H 1 0.79 0.02 A 130 LEU HG H 1 1.53 0.02 A 130 LEU C C 13 174.417 0.4 A 130 LEU CA C 13 53.571 0.4 A 130 LEU CB C 13 46.512 0.4 A 130 LEU CDy C 13 27.169 0.4 A 130 LEU CDx C 13 23.04 0.4 A 130 LEU CG C 13 27.706 0.4 A 130 LEU N N 15 123.856 0.1 A 131 THR H H 1 8.617 0.02 A 131 THR HA H 1 4.62 0.02 A 131 THR HB H 1 4.011 0.02 A 131 THR HG2% H 1 1.065 0.02 A 131 THR C C 13 173.287 0.4 A 131 THR CA C 13 61.955 0.4 A 131 THR CB C 13 70.286 0.4 A 131 THR CG2 C 13 21.872 0.4 A 131 THR N N 15 120.063 0.1 A 132 CYS H H 1 9.089 0.02 A 132 CYS HA H 1 4.929 0.02 A 132 CYS HBx H 1 2.869 0.02 A 132 CYS HBy H 1 3.387 0.02 A 132 CYS C C 13 173.359 0.4 A 132 CYS CA C 13 53.383 0.4 A 132 CYS CB C 13 42.627 0.4 A 132 CYS N N 15 127.108 0.1 A 133 LEU H H 1 8.5 0.02 A 133 LEU HA H 1 4.034 0.02 A 133 LEU HB2 H 1 1.6 0.02 A 133 LEU HB3 H 1 1.6 0.02 A 133 LEU HDx% H 1 0.894 0.02 A 133 LEU HDy% H 1 0.9 0.02 A 133 LEU HG H 1 1.668 0.02 A 133 LEU C C 13 175.857 0.4 A 133 LEU CA C 13 56.312 0.4 A 133 LEU CB C 13 42.935 0.4 A 133 LEU CDx C 13 24.444 0.4 A 133 LEU CDy C 13 25.288 0.4 A 133 LEU CG C 13 27.234 0.4 A 133 LEU N N 15 123.654 0.1 A 134 GLU H H 1 7.586 0.02 A 134 GLU HA H 1 4.24 0.02 A 134 GLU HBx H 1 1.789 0.02 A 134 GLU HBy H 1 1.967 0.02 A 134 GLU HGx H 1 2.147 0.02 A 134 GLU HGy H 1 2.188 0.02 A 134 GLU CA C 13 58.02 0.4 A 134 GLU CB C 13 31.075 0.4 A 134 GLU CG C 13 36.803 0.4 A 134 GLU N N 15 124.916 0.1 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 26 LEU HA A 26 LEU HDx% 1.0 1.8 4.0 2 2 A 26 LEU HA A 26 LEU HDy% 1.0 1.8 5.0 3 3 A 26 LEU HDy% A 26 LEU HBy 1.0 1.8 5.0 4 4 A 26 LEU HDy% A 26 LEU HBx 1.0 1.8 5.0 5 5 A 26 LEU H A 26 LEU HBy 1.0 1.8 4.0 6 5 A 26 LEU HBx A 26 LEU H 1.0 1.8 4.0 7 6 A 26 LEU HDy% A 26 LEU H 1.0 1.8 5.0 8 7 A 27 SER HBy A 27 SER H 1.0 1.8 5.0 9 8 A 27 SER H A 27 SER HBx 1.0 1.8 5.0 10 9 A 28 TRP HBy A 28 TRP HE3 1.0 1.8 5.0 11 10 A 28 TRP HE3 A 28 TRP HBx 1.0 1.8 5.0 12 11 A 28 TRP HE3 A 28 TRP HZ3 1.0 1.8 5.0 13 12 A 28 TRP HBy A 28 TRP H 1.0 1.8 5.0 14 13 A 28 TRP HD1 A 28 TRP HE1 1.0 1.8 4.0 15 14 A 28 TRP H A 28 TRP HD1 1.0 1.8 5.0 16 15 A 28 TRP HE1 A 28 TRP HZ2 1.0 1.8 5.0 17 16 A 29 TYR HA A 29 TYR HD% 1.0 1.8 5.0 18 17 A 29 TYR HD% A 29 TYR HBy 1.0 1.8 5.0 19 18 A 29 TYR HD% A 29 TYR HBx 1.0 1.8 5.0 20 19 A 29 TYR HBy A 29 TYR H 1.0 1.8 4.0 21 20 A 29 TYR HBx A 29 TYR H 1.0 1.8 5.0 22 21 A 30 ASP HBy A 30 ASP H 1.0 1.8 3.5 23 22 A 30 ASP H A 30 ASP HBx 1.0 1.8 4.0 24 23 A 31 PRO HBx A 31 PRO HDy 1.0 1.8 5.0 25 24 A 31 PRO HBx A 31 PRO HDx 1.0 1.8 5.0 26 25 A 31 PRO HA A 31 PRO HGy 1.0 1.8 4.0 27 26 A 31 PRO HA A 31 PRO HGx 1.0 1.8 5.0 28 27 A 32 ASP H A 32 ASP HB2 1.0 1.8 4.0 29 27 A 32 ASP HB3 A 32 ASP H 1.0 1.8 4.0 30 28 A 33 PHE HA A 33 PHE HD% 1.0 1.8 5.0 31 29 A 33 PHE HD% A 33 PHE HBy 1.0 1.8 4.0 32 30 A 33 PHE HD% A 33 PHE HBx 1.0 1.8 5.0 33 31 A 33 PHE HBy A 33 PHE H 1.0 1.8 4.0 34 32 A 33 PHE HBx A 33 PHE H 1.0 1.8 4.0 35 33 A 33 PHE HD% A 33 PHE H 1.0 1.8 5.0 36 34 A 34 GLN HA A 34 GLN HGy 1.0 1.8 5.0 37 35 A 34 GLN HA A 34 GLN HGx 1.0 1.8 5.0 38 36 A 34 GLN H A 34 GLN HBy 1.0 1.8 5.0 39 36 A 34 GLN HBx A 34 GLN H 1.0 1.8 5.0 40 37 A 34 GLN HGy A 34 GLN H 1.0 1.8 5.0 41 38 A 34 GLN HGx A 34 GLN H 1.0 1.8 5.0 42 39 A 35 ALA HB% A 35 ALA H 1.0 1.8 4.0 43 40 A 36 ARG HA A 36 ARG HDy 1.0 1.8 5.0 44 41 A 36 ARG HA A 36 ARG HGy 1.0 1.8 5.0 45 42 A 36 ARG HDy A 36 ARG HBy 1.0 1.8 5.0 46 43 A 36 ARG HBy A 36 ARG HDx 1.0 1.8 5.0 47 44 A 36 ARG HDx A 36 ARG HBx 1.0 1.8 5.0 48 45 A 36 ARG HBy A 36 ARG H 1.0 1.8 4.0 49 46 A 36 ARG HBx A 36 ARG H 1.0 1.8 5.0 50 47 A 36 ARG HGy A 36 ARG H 1.0 1.8 5.0 51 48 A 36 ARG H A 36 ARG HGx 1.0 1.8 5.0 52 49 A 37 LEU HA A 37 LEU HDx% 1.0 1.8 4.0 53 50 A 37 LEU HA A 37 LEU HDy% 1.0 1.8 3.5 54 51 A 37 LEU HA A 37 LEU HG 1.0 1.8 5.0 55 52 A 37 LEU HDx% A 37 LEU HBx 1.0 1.8 5.0 56 53 A 37 LEU HDy% A 37 LEU HBx 1.0 1.8 4.0 57 54 A 37 LEU HBy A 37 LEU H 1.0 1.8 5.0 58 55 A 37 LEU HBx A 37 LEU H 1.0 1.8 3.5 59 56 A 37 LEU HDy% A 37 LEU H 1.0 1.8 5.0 60 57 A 37 LEU HG A 37 LEU H 1.0 1.8 4.0 61 58 A 38 THR HA A 38 THR HG2% 1.0 1.8 4.0 62 59 A 38 THR HB A 38 THR H 1.0 1.8 5.0 63 60 A 38 THR HG2% A 38 THR H 1.0 1.8 4.0 64 61 A 39 ARG HA A 39 ARG HGy 1.0 1.8 5.0 65 62 A 39 ARG H A 39 ARG HB2 1.0 1.8 5.0 66 62 A 39 ARG HB3 A 39 ARG H 1.0 1.8 5.0 67 63 A 39 ARG HGy A 39 ARG H 1.0 1.8 5.0 68 64 A 40 SER H A 40 SER HBx 1.0 1.8 5.0 69 64 A 40 SER HBy A 40 SER H 1.0 1.8 5.0 70 65 A 42 SER HBy A 42 SER H 1.0 1.8 5.0 71 66 A 42 SER H A 42 SER HBx 1.0 1.8 4.0 72 67 A 43 LYS HA A 43 LYS HG2 1.0 1.8 5.0 73 67 A 43 LYS HA A 43 LYS HG3 1.0 1.8 5.0 74 68 A 43 LYS HE2 A 43 LYS HG2 1.0 1.8 5.0 75 68 A 43 LYS HG3 A 43 LYS HE2 1.0 1.8 5.0 76 68 A 43 LYS HG3 A 43 LYS HE3 1.0 1.8 5.0 77 68 A 43 LYS HE3 A 43 LYS HG2 1.0 1.8 5.0 78 69 A 43 LYS H A 43 LYS HB2 1.0 1.8 4.0 79 69 A 43 LYS HB3 A 43 LYS H 1.0 1.8 4.0 80 70 A 43 LYS H A 43 LYS HG2 1.0 1.8 5.0 81 70 A 43 LYS HG3 A 43 LYS H 1.0 1.8 5.0 82 71 A 45 GLN HA A 45 GLN HG2 1.0 1.8 5.0 83 71 A 45 GLN HA A 45 GLN HG3 1.0 1.8 5.0 84 72 A 45 GLN H A 45 GLN HBy 1.0 1.8 5.0 85 73 A 45 GLN H A 45 GLN HBx 1.0 1.8 5.0 86 74 A 47 GLN HA A 47 GLN HG2 1.0 1.8 5.0 87 74 A 47 GLN HA A 47 GLN HG3 1.0 1.8 5.0 88 75 A 47 GLN HBy A 47 GLN H 1.0 1.8 5.0 89 76 A 47 GLN H A 47 GLN HBx 1.0 1.8 4.0 90 77 A 48 LEU HA A 48 LEU HDy% 1.0 1.8 4.0 91 78 A 48 LEU HA A 48 LEU HG 1.0 1.8 5.0 92 79 A 48 LEU HA A 48 LEU HDx% 1.0 1.8 4.0 93 80 A 48 LEU HDx% A 48 LEU HBx 1.0 1.8 5.0 94 81 A 48 LEU HDx% A 48 LEU HBy 1.0 1.8 5.0 95 82 A 48 LEU HBy A 48 LEU H 1.0 1.8 5.0 96 83 A 48 LEU HBx A 48 LEU H 1.0 1.8 4.0 97 84 A 49 GLU HA A 49 GLU HGy 1.0 1.8 4.0 98 85 A 49 GLU HA A 49 GLU HGx 1.0 1.8 5.0 99 86 A 49 GLU HBy A 49 GLU H 1.0 1.8 5.0 100 87 A 49 GLU H A 49 GLU HBx 1.0 1.8 5.0 101 88 A 50 VAL HA A 50 VAL HGx% 1.0 1.8 4.0 102 89 A 50 VAL HA A 50 VAL HGy% 1.0 1.8 4.0 103 90 A 50 VAL HB A 50 VAL H 1.0 1.8 5.0 104 91 A 50 VAL H A 50 VAL HGx% 1.0 1.8 4.0 105 91 A 50 VAL H A 50 VAL HGy% 1.0 1.8 4.0 106 92 A 51 TYR HA A 51 TYR HD% 1.0 1.8 5.0 107 93 A 51 TYR HD% A 51 TYR HBy 1.0 1.8 5.0 108 94 A 51 TYR HD% A 51 TYR HBx 1.0 1.8 5.0 109 95 A 51 TYR HBy A 51 TYR H 1.0 1.8 5.0 110 96 A 51 TYR HBx A 51 TYR H 1.0 1.8 5.0 111 97 A 51 TYR HD% A 51 TYR H 1.0 1.8 5.0 112 98 A 52 LEU HA A 52 LEU HDx% 1.0 1.8 5.0 113 99 A 52 LEU HA A 52 LEU HDy% 1.0 1.8 4.0 114 100 A 52 LEU HBy A 52 LEU HDx% 1.0 1.8 3.5 115 101 A 52 LEU HBy A 52 LEU HDy% 1.0 1.8 3.5 116 102 A 52 LEU HBx A 52 LEU HDx% 1.0 1.8 4.0 117 103 A 52 LEU HBx A 52 LEU HDy% 1.0 1.8 4.0 118 104 A 52 LEU HBy A 52 LEU H 1.0 1.8 5.0 119 105 A 52 LEU HBx A 52 LEU H 1.0 1.8 5.0 120 106 A 52 LEU H A 52 LEU HDx% 1.0 1.8 5.0 121 106 A 52 LEU H A 52 LEU HDy% 1.0 1.8 5.0 122 107 A 53 LYS HA A 53 LYS HG2 1.0 1.8 5.0 123 107 A 53 LYS HA A 53 LYS HG3 1.0 1.8 5.0 124 108 A 53 LYS H A 53 LYS HB2 1.0 1.8 4.0 125 108 A 53 LYS HB3 A 53 LYS H 1.0 1.8 4.0 126 109 A 53 LYS H A 53 LYS HG2 1.0 1.8 5.0 127 109 A 53 LYS HG3 A 53 LYS H 1.0 1.8 5.0 128 110 A 54 ASP HBy A 54 ASP H 1.0 1.8 5.0 129 111 A 54 ASP H A 54 ASP HBx 1.0 1.8 5.0 130 112 A 56 TRP HA A 56 TRP HE3 1.0 1.8 5.0 131 113 A 56 TRP HBy A 56 TRP HD1 1.0 1.8 5.0 132 114 A 56 TRP HE3 A 56 TRP HBy 1.0 1.8 5.0 133 115 A 56 TRP HD1 A 56 TRP HBx 1.0 1.8 5.0 134 116 A 56 TRP HE3 A 56 TRP HBx 1.0 1.8 5.0 135 117 A 56 TRP HBy A 56 TRP H 1.0 1.8 4.0 136 118 A 56 TRP HBx A 56 TRP H 1.0 1.8 5.0 137 119 A 56 TRP HD1 A 56 TRP H 1.0 1.8 5.0 138 120 A 56 TRP HD1 A 56 TRP HE1 1.0 1.8 3.5 139 121 A 56 TRP HE1 A 56 TRP HZ2 1.0 1.8 4.0 140 122 A 57 HIS HBy A 57 HIS H 1.0 1.8 5.0 141 123 A 57 HIS H A 57 HIS HBx 1.0 1.8 5.0 142 124 A 58 MET HA A 58 MET HGx 1.0 1.8 5.0 143 125 A 58 MET HA A 58 MET HGy 1.0 1.8 5.0 144 126 A 58 MET HE% A 58 MET HGy 1.0 1.8 5.0 145 126 A 58 MET HGx A 58 MET HE% 1.0 1.8 5.0 146 127 A 58 MET HBy A 58 MET H 1.0 1.8 5.0 147 128 A 58 MET H A 58 MET HBx 1.0 1.8 5.0 148 129 A 58 MET HGx A 58 MET H 1.0 1.8 5.0 149 130 A 59 VAL HA A 59 VAL HGx% 1.0 1.8 4.0 150 131 A 59 VAL HA A 59 VAL HGy% 1.0 1.8 4.0 151 132 A 59 VAL HB A 59 VAL H 1.0 1.8 4.0 152 133 A 59 VAL HGx% A 59 VAL H 1.0 1.8 5.0 153 134 A 59 VAL HGy% A 59 VAL H 1.0 1.8 5.0 154 135 A 60 CYS HBy A 60 CYS H 1.0 1.8 5.0 155 136 A 60 CYS H A 60 CYS HBx 1.0 1.8 5.0 156 137 A 61 SER HBy A 61 SER H 1.0 1.8 5.0 157 138 A 62 GLN HA A 62 GLN HGx 1.0 1.8 5.0 158 139 A 62 GLN HA A 62 GLN HGy 1.0 1.8 5.0 159 140 A 62 GLN H A 62 GLN HB2 1.0 1.8 5.0 160 140 A 62 GLN HB3 A 62 GLN H 1.0 1.8 5.0 161 141 A 63 SER HBy A 63 SER H 1.0 1.8 5.0 162 142 A 63 SER H A 63 SER HBx 1.0 1.8 5.0 163 143 A 64 TRP HA A 64 TRP HD1 1.0 1.8 5.0 164 144 A 64 TRP HD1 A 64 TRP HBx 1.0 1.8 5.0 165 145 A 64 TRP HBy A 64 TRP HE3 1.0 1.8 5.0 166 146 A 64 TRP HBx A 64 TRP HE3 1.0 1.8 5.0 167 147 A 64 TRP HD1 A 64 TRP H 1.0 1.8 5.0 168 148 A 64 TRP HE3 A 64 TRP H 1.0 1.8 5.0 169 149 A 64 TRP HZ2 A 64 TRP HE1 1.0 1.8 5.0 170 150 A 64 TRP HD1 A 64 TRP HE1 1.0 1.8 4.0 171 151 A 66 ARG HA A 66 ARG HDy 1.0 1.8 5.0 172 152 A 66 ARG HA A 66 ARG HG2 1.0 1.8 4.0 173 152 A 66 ARG HA A 66 ARG HG3 1.0 1.8 4.0 174 153 A 66 ARG HA A 66 ARG HDx 1.0 1.8 5.0 175 154 A 66 ARG HBy A 66 ARG H 1.0 1.8 5.0 176 155 A 66 ARG H A 66 ARG HBx 1.0 1.8 4.0 177 156 A 66 ARG H A 66 ARG HG2 1.0 1.8 5.0 178 156 A 66 ARG HG3 A 66 ARG H 1.0 1.8 5.0 179 157 A 67 SER HBy A 67 SER H 1.0 1.8 4.0 180 158 A 67 SER H A 67 SER HBx 1.0 1.8 4.0 181 159 A 69 LYS HA A 69 LYS HG2 1.0 1.8 5.0 182 159 A 69 LYS HA A 69 LYS HG3 1.0 1.8 5.0 183 160 A 69 LYS HE3 A 69 LYS HG2 1.0 1.8 5.0 184 160 A 69 LYS HE2 A 69 LYS HG2 1.0 1.8 5.0 185 160 A 69 LYS HG3 A 69 LYS HE2 1.0 1.8 5.0 186 160 A 69 LYS HG3 A 69 LYS HE3 1.0 1.8 5.0 187 161 A 69 LYS HBy A 69 LYS HG2 1.0 1.8 4.0 188 161 A 69 LYS HG3 A 69 LYS HBy 1.0 1.8 4.0 189 162 A 69 LYS HBx A 69 LYS HG2 1.0 1.8 5.0 190 162 A 69 LYS HG3 A 69 LYS HBx 1.0 1.8 5.0 191 163 A 69 LYS HBy A 69 LYS H 1.0 1.8 5.0 192 164 A 69 LYS HBx A 69 LYS H 1.0 1.8 5.0 193 165 A 69 LYS H A 69 LYS HG2 1.0 1.8 5.0 194 165 A 69 LYS HG3 A 69 LYS H 1.0 1.8 5.0 195 166 A 70 GLN HA A 70 GLN HG2 1.0 1.8 5.0 196 166 A 70 GLN HA A 70 GLN HG3 1.0 1.8 5.0 197 167 A 70 GLN H A 70 GLN HB2 1.0 1.8 4.0 198 167 A 70 GLN HB3 A 70 GLN H 1.0 1.8 4.0 199 168 A 70 GLN H A 70 GLN HG2 1.0 1.8 5.0 200 168 A 70 GLN HG3 A 70 GLN H 1.0 1.8 5.0 201 169 A 71 TRP HA A 71 TRP HE3 1.0 1.8 5.0 202 170 A 71 TRP HA A 71 TRP HD1 1.0 1.8 5.0 203 171 A 71 TRP HD1 A 71 TRP HBy 1.0 1.8 5.0 204 172 A 71 TRP HE3 A 71 TRP HBx 1.0 1.8 5.0 205 173 A 71 TRP HE3 A 71 TRP HBy 1.0 1.8 5.0 206 174 A 71 TRP HBy A 71 TRP H 1.0 1.8 5.0 207 175 A 71 TRP HBx A 71 TRP H 1.0 1.8 5.0 208 176 A 71 TRP HD1 A 71 TRP H 1.0 1.8 5.0 209 177 A 71 TRP HZ2 A 71 TRP HE1 1.0 1.8 5.0 210 178 A 71 TRP HD1 A 71 TRP HE1 1.0 1.8 4.0 211 179 A 72 GLU HBy A 72 GLU H 1.0 1.8 5.0 212 180 A 72 GLU H A 72 GLU HG2 1.0 1.8 5.0 213 180 A 72 GLU H A 72 GLU HG3 1.0 1.8 5.0 214 181 A 73 ASP HBy A 73 ASP H 1.0 1.8 5.0 215 182 A 73 ASP H A 73 ASP HBx 1.0 1.8 5.0 216 183 A 74 PRO HA A 74 PRO HGy 1.0 1.8 4.0 217 184 A 74 PRO HA A 74 PRO HGx 1.0 1.8 3.5 218 185 A 74 PRO HBx A 74 PRO HDy 1.0 1.8 5.0 219 186 A 76 GLN HA A 76 GLN HG2 1.0 1.8 5.0 220 186 A 76 GLN HA A 76 GLN HG3 1.0 1.8 5.0 221 187 A 76 GLN HBy A 76 GLN H 1.0 1.8 4.0 222 188 A 76 GLN H A 76 GLN HBx 1.0 1.8 3.5 223 189 A 77 ALA HB% A 77 ALA H 1.0 1.8 4.0 224 190 A 78 SER H A 78 SER HB2 1.0 1.8 3.5 225 190 A 78 SER HB3 A 78 SER H 1.0 1.8 3.5 226 191 A 79 LYS HA A 79 LYS HGy 1.0 1.8 5.0 227 191 A 79 LYS HA A 79 LYS HGx 1.0 1.8 5.0 228 192 A 79 LYS HE3 A 79 LYS HGy 1.0 1.8 5.0 229 192 A 79 LYS HE2 A 79 LYS HGy 1.0 1.8 5.0 230 193 A 79 LYS HGx A 79 LYS HE3 1.0 1.8 5.0 231 193 A 79 LYS HGx A 79 LYS HE2 1.0 1.8 5.0 232 194 A 79 LYS HA A 79 LYS HGy 1.0 1.8 5.0 233 195 A 79 LYS HA A 79 LYS HGx 1.0 1.8 5.0 234 196 A 79 LYS HA A 79 LYS HD2 1.0 1.8 4.0 235 196 A 79 LYS HA A 79 LYS HD3 1.0 1.8 4.0 236 197 A 79 LYS H A 79 LYS HB2 1.0 1.8 3.5 237 197 A 79 LYS HB3 A 79 LYS H 1.0 1.8 3.5 238 198 A 79 LYS H A 79 LYS HGy 1.0 1.8 5.0 239 198 A 79 LYS HGx A 79 LYS H 1.0 1.8 5.0 240 199 A 80 VAL HA A 80 VAL HGx% 1.0 1.8 5.0 241 200 A 80 VAL HA A 80 VAL HGy% 1.0 1.8 5.0 242 201 A 80 VAL HB A 80 VAL H 1.0 1.8 3.5 243 202 A 80 VAL HGx% A 80 VAL H 1.0 1.8 4.0 244 203 A 80 VAL HGy% A 80 VAL H 1.0 1.8 5.0 245 204 A 81 CYS HBy A 81 CYS H 1.0 1.8 4.0 246 205 A 81 CYS H A 81 CYS HBx 1.0 1.8 5.0 247 206 A 82 GLN HA A 82 GLN HGy 1.0 1.8 5.0 248 207 A 82 GLN HA A 82 GLN HGx 1.0 1.8 5.0 249 208 A 82 GLN H A 82 GLN HB2 1.0 1.8 3.5 250 208 A 82 GLN HB3 A 82 GLN H 1.0 1.8 3.5 251 209 A 83 ARG HA A 83 ARG HD2 1.0 1.8 5.0 252 209 A 83 ARG HA A 83 ARG HD3 1.0 1.8 5.0 253 210 A 83 ARG HA A 83 ARG HG2 1.0 1.8 4.0 254 210 A 83 ARG HA A 83 ARG HG3 1.0 1.8 4.0 255 211 A 83 ARG HB3 A 83 ARG HD2 1.0 1.8 4.0 256 211 A 83 ARG HB2 A 83 ARG HD2 1.0 1.8 4.0 257 211 A 83 ARG HD3 A 83 ARG HB2 1.0 1.8 4.0 258 211 A 83 ARG HD3 A 83 ARG HB3 1.0 1.8 4.0 259 212 A 83 ARG H A 83 ARG HB2 1.0 1.8 3.0 260 212 A 83 ARG HB3 A 83 ARG H 1.0 1.8 3.0 261 213 A 83 ARG H A 83 ARG HG2 1.0 1.8 4.0 262 213 A 83 ARG HG3 A 83 ARG H 1.0 1.8 4.0 263 214 A 83 ARG HE A 83 ARG HD2 1.0 1.8 5.0 264 214 A 83 ARG HD3 A 83 ARG HE 1.0 1.8 5.0 265 215 A 84 LEU HA A 84 LEU HDx% 1.0 1.8 4.0 266 216 A 84 LEU HA A 84 LEU HDy% 1.0 1.8 3.5 267 217 A 84 LEU HA A 84 LEU HG 1.0 1.8 3.5 268 218 A 84 LEU HDx% A 84 LEU HB2 1.0 1.8 3.0 269 218 A 84 LEU HDx% A 84 LEU HB3 1.0 1.8 3.0 270 219 A 84 LEU HDy% A 84 LEU HB2 1.0 1.8 3.5 271 219 A 84 LEU HDy% A 84 LEU HB3 1.0 1.8 3.5 272 220 A 84 LEU HDx% A 84 LEU HG 1.0 1.8 3.0 273 221 A 84 LEU HDy% A 84 LEU HG 1.0 1.8 3.5 274 222 A 84 LEU H A 84 LEU HB2 1.0 1.8 3.0 275 222 A 84 LEU HB3 A 84 LEU H 1.0 1.8 3.0 276 223 A 84 LEU HDx% A 84 LEU H 1.0 1.8 5.0 277 224 A 84 LEU HDy% A 84 LEU H 1.0 1.8 5.0 278 225 A 85 ASN HBy A 85 ASN H 1.0 1.8 5.0 279 226 A 85 ASN H A 85 ASN HBx 1.0 1.8 5.0 280 227 A 86 CYS HBy A 86 CYS H 1.0 1.8 4.0 281 228 A 86 CYS H A 86 CYS HBx 1.0 1.8 5.0 282 229 A 88 ASP HBy A 88 ASP H 1.0 1.8 4.0 283 230 A 88 ASP H A 88 ASP HBx 1.0 1.8 5.0 284 231 A 89 PRO HA A 89 PRO HGy 1.0 1.8 5.0 285 232 A 89 PRO HA A 89 PRO HGx 1.0 1.8 5.0 286 233 A 89 PRO HBy A 89 PRO HDy 1.0 1.8 5.0 287 234 A 89 PRO HDy A 89 PRO HBx 1.0 1.8 5.0 288 235 A 89 PRO HBy A 89 PRO HDx 1.0 1.8 5.0 289 236 A 89 PRO HBx A 89 PRO HDx 1.0 1.8 5.0 290 237 A 90 LEU HA A 90 LEU HG 1.0 1.8 4.0 291 238 A 90 LEU HA A 90 LEU HDy% 1.0 1.8 4.0 292 239 A 90 LEU HBy A 90 LEU HDx% 1.0 1.8 5.0 293 240 A 90 LEU HBx A 90 LEU HDx% 1.0 1.8 4.0 294 241 A 90 LEU HG A 90 LEU HDx% 1.0 1.8 3.5 295 242 A 90 LEU HBy A 90 LEU H 1.0 1.8 5.0 296 243 A 90 LEU HBx A 90 LEU H 1.0 1.8 5.0 297 244 A 90 LEU H A 90 LEU HDx% 1.0 1.8 5.0 298 244 A 90 LEU H A 90 LEU HDy% 1.0 1.8 5.0 299 245 A 91 SER H A 91 SER HBx 1.0 1.8 5.0 300 245 A 91 SER HBy A 91 SER H 1.0 1.8 5.0 301 246 A 92 LEU HA A 92 LEU HDy% 1.0 1.8 5.0 302 247 A 92 LEU HA A 92 LEU HG 1.0 1.8 5.0 303 248 A 92 LEU HBy A 92 LEU HDx% 1.0 1.8 5.0 304 249 A 92 LEU HDx% A 92 LEU HBx 1.0 1.8 5.0 305 250 A 92 LEU HDy% A 92 LEU HBx 1.0 1.8 5.0 306 251 A 92 LEU HBy A 92 LEU H 1.0 1.8 5.0 307 252 A 92 LEU HBx A 92 LEU H 1.0 1.8 5.0 308 253 A 95 PHE HA A 95 PHE HD% 1.0 1.8 5.0 309 254 A 95 PHE HD% A 95 PHE HBy 1.0 1.8 5.0 310 255 A 95 PHE HD% A 95 PHE HBx 1.0 1.8 5.0 311 256 A 95 PHE HBy A 95 PHE H 1.0 1.8 5.0 312 257 A 95 PHE HBx A 95 PHE H 1.0 1.8 5.0 313 258 A 95 PHE HD% A 95 PHE H 1.0 1.8 5.0 314 259 A 96 LEU HA A 96 LEU HDx% 1.0 1.8 5.0 315 260 A 96 LEU HA A 96 LEU HDy% 1.0 1.8 5.0 316 261 A 96 LEU HDx% A 96 LEU HB2 1.0 1.8 5.0 317 261 A 96 LEU HDx% A 96 LEU HB3 1.0 1.8 5.0 318 262 A 96 LEU HDy% A 96 LEU HB2 1.0 1.8 4.0 319 262 A 96 LEU HDy% A 96 LEU HB3 1.0 1.8 4.0 320 263 A 96 LEU H A 96 LEU HB2 1.0 1.8 5.0 321 263 A 96 LEU HB3 A 96 LEU H 1.0 1.8 5.0 322 264 A 96 LEU H A 96 LEU HG 1.0 1.8 5.0 323 265 A 97 LYS HA A 97 LYS HG2 1.0 1.8 5.0 324 265 A 97 LYS HA A 97 LYS HG3 1.0 1.8 5.0 325 266 A 97 LYS HBy A 97 LYS H 1.0 1.8 5.0 326 267 A 97 LYS H A 97 LYS HBx 1.0 1.8 5.0 327 268 A 97 LYS H A 97 LYS HG2 1.0 1.8 5.0 328 268 A 97 LYS HG3 A 97 LYS H 1.0 1.8 5.0 329 269 A 98 THR HA A 98 THR HG2% 1.0 1.8 5.0 330 270 A 98 THR HB A 98 THR H 1.0 1.8 4.0 331 271 A 98 THR HG2% A 98 THR H 1.0 1.8 5.0 332 272 A 99 TYR HA A 99 TYR HD% 1.0 1.8 5.0 333 273 A 99 TYR HD% A 99 TYR HBy 1.0 1.8 4.0 334 274 A 99 TYR HD% A 99 TYR HBx 1.0 1.8 4.0 335 275 A 99 TYR HBy A 99 TYR H 1.0 1.8 5.0 336 276 A 99 TYR HBx A 99 TYR H 1.0 1.8 5.0 337 277 A 99 TYR HD% A 99 TYR H 1.0 1.8 5.0 338 278 A 100 THR HA A 100 THR HG2% 1.0 1.8 5.0 339 279 A 100 THR HB A 100 THR H 1.0 1.8 5.0 340 280 A 100 THR HG2% A 100 THR H 1.0 1.8 5.0 341 281 A 102 GLN H A 102 GLN HB2 1.0 1.8 5.0 342 281 A 102 GLN HB3 A 102 GLN H 1.0 1.8 5.0 343 282 A 102 GLN H A 102 GLN HG2 1.0 1.8 5.0 344 282 A 102 GLN H A 102 GLN HG3 1.0 1.8 5.0 345 283 A 104 SER H A 104 SER HBx 1.0 1.8 4.0 346 283 A 104 SER HBy A 104 SER H 1.0 1.8 4.0 347 284 A 105 ILE HA A 105 ILE HD1% 1.0 1.8 5.0 348 285 A 105 ILE HA A 105 ILE HG2% 1.0 1.8 4.0 349 286 A 105 ILE HD1% A 105 ILE HB 1.0 1.8 4.0 350 287 A 105 ILE HA A 105 ILE HG1y 1.0 1.8 5.0 351 288 A 105 ILE HG2% A 105 ILE HG1y 1.0 1.8 5.0 352 289 A 105 ILE HG2% A 105 ILE HG1x 1.0 1.8 5.0 353 290 A 105 ILE HG2% A 105 ILE HB 1.0 1.8 5.0 354 291 A 105 ILE HD1% A 105 ILE HG2% 1.0 1.8 3.5 355 292 A 105 ILE HG1y A 105 ILE H 1.0 1.8 4.0 356 293 A 105 ILE HG1x A 105 ILE H 1.0 1.8 5.0 357 294 A 105 ILE HG2% A 105 ILE H 1.0 1.8 5.0 358 295 A 106 ILE HA A 106 ILE HD1% 1.0 1.8 5.0 359 296 A 106 ILE HA A 106 ILE HG1x 1.0 1.8 5.0 360 297 A 106 ILE HA A 106 ILE HG2% 1.0 1.8 4.0 361 298 A 106 ILE HA A 106 ILE HG1y 1.0 1.8 5.0 362 299 A 106 ILE HD1% A 106 ILE HB 1.0 1.8 4.0 363 300 A 106 ILE HG1x A 106 ILE HG2% 1.0 1.8 5.0 364 301 A 106 ILE HG2% A 106 ILE HB 1.0 1.8 4.0 365 302 A 106 ILE HD1% A 106 ILE HG2% 1.0 1.8 3.0 366 303 A 106 ILE HB A 106 ILE H 1.0 1.8 5.0 367 304 A 106 ILE HG1x A 106 ILE H 1.0 1.8 5.0 368 305 A 106 ILE HG2% A 106 ILE H 1.0 1.8 5.0 369 306 A 107 CYS HBy A 107 CYS H 1.0 1.8 5.0 370 307 A 107 CYS H A 107 CYS HBx 1.0 1.8 5.0 371 308 A 108 TYR HBy A 108 TYR HD% 1.0 1.8 5.0 372 309 A 108 TYR HD% A 108 TYR HBx 1.0 1.8 4.0 373 310 A 108 TYR HD% A 108 TYR HA 1.0 1.8 5.0 374 311 A 108 TYR HBy A 108 TYR H 1.0 1.8 5.0 375 312 A 108 TYR HBx A 108 TYR H 1.0 1.8 5.0 376 313 A 108 TYR HD% A 108 TYR H 1.0 1.8 5.0 377 314 A 110 GLN HA A 110 GLN HG2 1.0 1.8 5.0 378 314 A 110 GLN HA A 110 GLN HG3 1.0 1.8 5.0 379 315 A 110 GLN H A 110 GLN HB2 1.0 1.8 3.0 380 315 A 110 GLN HB3 A 110 GLN H 1.0 1.8 3.0 381 316 A 110 GLN H A 110 GLN HG2 1.0 1.8 5.0 382 316 A 110 GLN HG3 A 110 GLN H 1.0 1.8 5.0 383 317 A 111 LEU HA A 111 LEU HDx% 1.0 1.8 5.0 384 318 A 111 LEU HA A 111 LEU HG 1.0 1.8 5.0 385 319 A 111 LEU HDx% A 111 LEU HBy 1.0 1.8 5.0 386 320 A 111 LEU HDx% A 111 LEU HBx 1.0 1.8 5.0 387 321 A 111 LEU HDy% A 111 LEU HBy 1.0 1.8 5.0 388 322 A 111 LEU HDy% A 111 LEU HBx 1.0 1.8 5.0 389 323 A 111 LEU H A 111 LEU HBy 1.0 1.8 3.5 390 324 A 111 LEU H A 111 LEU HBx 1.0 1.8 3.5 391 325 A 111 LEU HDx% A 111 LEU H 1.0 1.8 5.0 392 326 A 111 LEU HDy% A 111 LEU H 1.0 1.8 5.0 393 327 A 111 LEU HG A 111 LEU H 1.0 1.8 5.0 394 328 A 113 SER HBy A 113 SER H 1.0 1.8 5.0 395 329 A 113 SER H A 113 SER HBx 1.0 1.8 4.0 396 330 A 114 PHE HA A 114 PHE HD% 1.0 1.8 5.0 397 331 A 114 PHE HD% A 114 PHE HBy 1.0 1.8 5.0 398 332 A 114 PHE HD% A 114 PHE HBx 1.0 1.8 5.0 399 333 A 114 PHE HBy A 114 PHE H 1.0 1.8 5.0 400 334 A 114 PHE HBx A 114 PHE H 1.0 1.8 5.0 401 335 A 114 PHE HD% A 114 PHE H 1.0 1.8 5.0 402 336 A 115 SER H A 115 SER HB2 1.0 1.8 4.0 403 336 A 115 SER HB3 A 115 SER H 1.0 1.8 4.0 404 337 A 116 ASN HBy A 116 ASN H 1.0 1.8 5.0 405 338 A 116 ASN H A 116 ASN HBx 1.0 1.8 5.0 406 339 A 117 CYS HBy A 117 CYS H 1.0 1.8 5.0 407 340 A 117 CYS H A 117 CYS HBx 1.0 1.8 4.0 408 341 A 118 SER H A 118 SER HB2 1.0 1.8 5.0 409 341 A 118 SER HB3 A 118 SER H 1.0 1.8 5.0 410 342 A 120 SER H A 120 SER HB2 1.0 1.8 4.0 411 342 A 120 SER HB3 A 120 SER H 1.0 1.8 4.0 412 343 A 121 ARG HA A 121 ARG HG2 1.0 1.8 5.0 413 343 A 121 ARG HA A 121 ARG HG3 1.0 1.8 5.0 414 344 A 121 ARG HBy A 121 ARG HD2 1.0 1.8 5.0 415 344 A 121 ARG HBy A 121 ARG HD3 1.0 1.8 5.0 416 345 A 121 ARG HBy A 121 ARG H 1.0 1.8 5.0 417 346 A 122 ASN HBy A 122 ASN H 1.0 1.8 5.0 418 347 A 122 ASN H A 122 ASN HBx 1.0 1.8 5.0 419 348 A 123 ASP H A 123 ASP HB2 1.0 1.8 5.0 420 348 A 123 ASP HB3 A 123 ASP H 1.0 1.8 5.0 421 349 A 124 MET HA A 124 MET HGy 1.0 1.8 5.0 422 350 A 124 MET HA A 124 MET HGx 1.0 1.8 5.0 423 351 A 124 MET HBy A 124 MET H 1.0 1.8 5.0 424 352 A 124 MET H A 124 MET HBx 1.0 1.8 5.0 425 353 A 124 MET HGy A 124 MET H 1.0 1.8 5.0 426 354 A 124 MET HGx A 124 MET H 1.0 1.8 5.0 427 355 A 125 CYS HBy A 125 CYS H 1.0 1.8 5.0 428 356 A 125 CYS H A 125 CYS HBx 1.0 1.8 5.0 429 357 A 127 SER HBy A 127 SER H 1.0 1.8 5.0 430 358 A 127 SER H A 127 SER HBx 1.0 1.8 5.0 431 359 A 128 LEU HA A 128 LEU HDy% 1.0 1.8 4.0 432 360 A 128 LEU HA A 128 LEU HG 1.0 1.8 4.0 433 361 A 128 LEU HA A 128 LEU HDx% 1.0 1.8 5.0 434 362 A 128 LEU HDx% A 128 LEU HBx 1.0 1.8 4.0 435 363 A 128 LEU HBy A 128 LEU H 1.0 1.8 4.0 436 364 A 128 LEU HBx A 128 LEU H 1.0 1.8 5.0 437 365 A 128 LEU HDx% A 128 LEU H 1.0 1.8 5.0 438 366 A 130 LEU HA A 130 LEU HDx% 1.0 1.8 5.0 439 367 A 130 LEU HA A 130 LEU HG 1.0 1.8 5.0 440 368 A 130 LEU HA A 130 LEU HDy% 1.0 1.8 4.0 441 369 A 130 LEU HDx% A 130 LEU HBy 1.0 1.8 5.0 442 370 A 130 LEU HDy% A 130 LEU HBy 1.0 1.8 5.0 443 371 A 130 LEU HDx% A 130 LEU HBx 1.0 1.8 5.0 444 372 A 130 LEU HBy A 130 LEU H 1.0 1.8 5.0 445 373 A 130 LEU HBx A 130 LEU H 1.0 1.8 4.0 446 374 A 130 LEU HDx% A 130 LEU H 1.0 1.8 5.0 447 375 A 131 THR HA A 131 THR HG2% 1.0 1.8 4.0 448 376 A 131 THR HB A 131 THR H 1.0 1.8 5.0 449 377 A 131 THR HG2% A 131 THR H 1.0 1.8 5.0 450 378 A 132 CYS HBy A 132 CYS H 1.0 1.8 5.0 451 379 A 132 CYS H A 132 CYS HBx 1.0 1.8 5.0 452 380 A 133 LEU HA A 133 LEU HDx% 1.0 1.8 4.0 453 380 A 133 LEU HA A 133 LEU HDy% 1.0 1.8 4.0 454 381 A 133 LEU HA A 133 LEU HG 1.0 1.8 4.0 455 382 A 133 LEU HA A 133 LEU HDx% 1.0 1.8 4.0 456 383 A 133 LEU HA A 133 LEU HDy% 1.0 1.8 5.0 457 384 A 133 LEU HDy% A 133 LEU HB3 1.0 1.8 3.5 458 384 A 133 LEU HDy% A 133 LEU HB2 1.0 1.8 3.5 459 385 A 133 LEU H A 133 LEU HB2 1.0 1.8 3.0 460 385 A 133 LEU HB3 A 133 LEU H 1.0 1.8 3.0 461 386 A 133 LEU H A 133 LEU HDx% 1.0 1.8 5.0 462 386 A 133 LEU HDy% A 133 LEU H 1.0 1.8 5.0 463 387 A 134 GLU HA A 134 GLU HGy 1.0 1.8 5.0 464 388 A 134 GLU HA A 134 GLU HGx 1.0 1.8 5.0 465 389 A 134 GLU HBy A 134 GLU H 1.0 1.8 5.0 466 390 A 134 GLU H A 134 GLU HBx 1.0 1.8 5.0 467 391 A 134 GLU H A 134 GLU HGy 1.0 1.8 5.0 468 391 A 134 GLU H A 134 GLU HGx 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_7 _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 115 SER HA A 25 ARG HGx 1.0 1.8 5.0 2 1 A 25 ARG HGy A 115 SER HA 1.0 1.8 5.0 3 2 A 114 PHE HBy A 26 LEU HBy 1.0 1.8 5.0 4 3 A 114 PHE HBx A 26 LEU HBy 1.0 1.8 5.0 5 4 A 26 LEU HBx A 114 PHE HBy 1.0 1.8 5.0 6 5 A 26 LEU HBx A 114 PHE HBx 1.0 1.8 5.0 7 6 A 26 LEU HDx% A 114 PHE HBy 1.0 1.8 5.5 8 7 A 26 LEU HDx% A 114 PHE HBx 1.0 1.8 5.5 9 8 A 26 LEU HDx% A 33 PHE HD% 1.0 1.8 6.0 10 9 A 26 LEU HDy% A 33 PHE HD% 1.0 1.8 6.0 11 10 A 26 LEU HDx% A 33 PHE HE% 1.0 1.8 6.0 12 11 A 26 LEU HDy% A 33 PHE HA 1.0 1.8 5.5 13 12 A 26 LEU HDy% A 115 SER HA 1.0 1.8 5.5 14 13 A 26 LEU HDy% A 115 SER HB2 1.0 1.8 5.5 15 13 A 26 LEU HDy% A 115 SER HB3 1.0 1.8 5.5 16 14 A 114 PHE H A 26 LEU HBy 1.0 1.8 5.0 17 14 A 26 LEU HBx A 114 PHE H 1.0 1.8 5.0 18 15 A 114 PHE HD% A 27 SER HA 1.0 1.8 5.5 19 16 A 27 SER HA A 113 SER HA 1.0 1.8 5.0 20 17 A 27 SER HBy A 113 SER HA 1.0 1.8 5.0 21 18 A 27 SER HBx A 113 SER HA 1.0 1.8 5.0 22 19 A 114 PHE H A 27 SER HA 1.0 1.8 5.0 23 20 A 48 LEU HDy% A 28 TRP HH2 1.0 1.8 5.5 24 21 A 28 TRP HZ3 A 48 LEU HDy% 1.0 1.8 5.5 25 22 A 28 TRP HZ3 A 77 ALA HB% 1.0 1.8 5.5 26 23 A 28 TRP HZ3 A 92 LEU HDx% 1.0 1.8 5.5 27 24 A 28 TRP HZ3 A 92 LEU HDy% 1.0 1.8 5.5 28 25 A 28 TRP HBy A 114 PHE HE% 1.0 1.8 5.5 29 26 A 28 TRP HBx A 114 PHE HE% 1.0 1.8 5.5 30 27 A 28 TRP HBy A 80 VAL HGx% 1.0 1.8 5.5 31 28 A 28 TRP HBx A 80 VAL HGx% 1.0 1.8 5.5 32 29 A 28 TRP HE3 A 80 VAL HGx% 1.0 1.8 5.5 33 30 A 28 TRP HE3 A 48 LEU HDy% 1.0 1.8 5.5 34 31 A 90 LEU HDy% A 28 TRP HH2 1.0 1.8 5.5 35 32 A 28 TRP HZ2 A 111 LEU HDy% 1.0 1.8 5.5 36 33 A 111 LEU HDx% A 28 TRP HH2 1.0 1.8 5.5 37 34 A 28 TRP HE1 A 112 GLY HA3 1.0 1.8 5.0 38 35 A 28 TRP HE1 A 112 GLY HA2 1.0 1.8 5.0 39 36 A 28 TRP HE1 A 114 PHE HE% 1.0 1.8 5.5 40 37 A 28 TRP HE1 A 76 GLN HG2 1.0 1.8 5.0 41 37 A 28 TRP HE1 A 76 GLN HG3 1.0 1.8 5.0 42 38 A 28 TRP H A 112 GLY H 1.0 1.8 5.0 43 39 A 28 TRP H A 114 PHE HD% 1.0 1.8 5.5 44 40 A 31 PRO HA A 83 ARG HD2 1.0 1.8 5.0 45 40 A 31 PRO HA A 83 ARG HD3 1.0 1.8 5.0 46 41 A 50 VAL HGy% A 33 PHE HE% 1.0 1.8 6.0 47 42 A 50 VAL HGy% A 33 PHE HZ 1.0 1.8 5.5 48 43 A 33 PHE HD% A 50 VAL HB 1.0 1.8 5.5 49 44 A 33 PHE HD% A 80 VAL HGx% 1.0 1.8 6.0 50 45 A 50 VAL HB A 33 PHE HE% 1.0 1.8 5.5 51 46 A 33 PHE HE% A 50 VAL HGx% 1.0 1.8 6.0 52 47 A 50 VAL HB A 33 PHE HZ 1.0 1.8 5.0 53 48 A 80 VAL HGx% A 33 PHE HE% 1.0 1.8 6.0 54 49 A 52 LEU HDy% A 33 PHE HE% 1.0 1.8 6.0 55 50 A 51 TYR HBy A 34 GLN HBy 1.0 1.8 5.0 56 51 A 51 TYR HBx A 34 GLN HBy 1.0 1.8 4.0 57 52 A 34 GLN HBx A 51 TYR HBy 1.0 1.8 5.0 58 53 A 34 GLN HBx A 51 TYR HBx 1.0 1.8 5.0 59 54 A 35 ALA HB% A 48 LEU HDx% 1.0 1.8 5.5 60 55 A 35 ALA HB% A 50 VAL HA 1.0 1.8 5.5 61 56 A 35 ALA HB% A 50 VAL HB 1.0 1.8 5.5 62 57 A 35 ALA HB% A 80 VAL HGx% 1.0 1.8 6.0 63 58 A 35 ALA HB% A 80 VAL HGy% 1.0 1.8 5.5 64 59 A 50 VAL HA A 35 ALA HA 1.0 1.8 4.0 65 60 A 50 VAL HGy% A 35 ALA HA 1.0 1.8 5.5 66 61 A 35 ALA HA A 56 TRP HH2 1.0 1.8 4.0 67 62 A 35 ALA H A 56 TRP HZ3 1.0 1.8 5.0 68 63 A 36 ARG HA A 84 LEU HDy% 1.0 1.8 5.0 69 64 A 36 ARG HA A 90 LEU HDx% 1.0 1.8 5.5 70 65 A 36 ARG HA A 90 LEU HDy% 1.0 1.8 5.0 71 66 A 36 ARG HGy A 49 GLU HBy 1.0 1.8 5.0 72 67 A 36 ARG HGx A 49 GLU HBy 1.0 1.8 4.0 73 68 A 36 ARG H A 56 TRP HZ3 1.0 1.8 5.0 74 69 A 36 ARG H A 48 LEU HDx% 1.0 1.8 5.5 75 70 A 36 ARG H A 49 GLU HBy 1.0 1.8 5.0 76 71 A 36 ARG H A 50 VAL HGx% 1.0 1.8 6.0 77 71 A 36 ARG H A 50 VAL HGy% 1.0 1.8 6.0 78 72 A 36 ARG H A 50 VAL HA 1.0 1.8 5.0 79 73 A 37 LEU HA A 48 LEU HA 1.0 1.8 5.0 80 74 A 37 LEU HDx% A 45 GLN HA 1.0 1.8 5.0 81 75 A 37 LEU HDy% A 45 GLN HA 1.0 1.8 5.5 82 76 A 37 LEU HDy% A 48 LEU HA 1.0 1.8 5.0 83 77 A 37 LEU HBy A 46 GLY HA3 1.0 1.8 5.5 84 78 A 37 LEU HBy A 46 GLY HA2 1.0 1.8 5.0 85 79 A 37 LEU HBx A 46 GLY HA2 1.0 1.8 5.0 86 80 A 37 LEU HDy% A 48 LEU HBy 1.0 1.8 5.5 87 81 A 37 LEU HG A 84 LEU HDy% 1.0 1.8 5.5 88 82 A 37 LEU HDx% A 131 THR HA 1.0 1.8 5.5 89 83 A 37 LEU HDy% A 48 LEU HDx% 1.0 1.8 5.5 90 84 A 37 LEU HDy% A 130 LEU HBx 1.0 1.8 5.0 91 85 A 37 LEU HDx% A 130 LEU HBx 1.0 1.8 5.5 92 86 A 37 LEU HG A 84 LEU HDx% 1.0 1.8 5.5 93 87 A 37 LEU HA A 49 GLU H 1.0 1.8 5.0 94 88 A 37 LEU HDx% A 45 GLN H 1.0 1.8 5.5 95 89 A 37 LEU HDx% A 46 GLY H 1.0 1.8 5.5 96 90 A 37 LEU HDy% A 46 GLY H 1.0 1.8 5.5 97 91 A 37 LEU HDy% A 49 GLU H 1.0 1.8 5.5 98 92 A 38 THR HG2% A 49 GLU HBx 1.0 1.8 5.5 99 93 A 38 THR HG2% A 58 MET HE% 1.0 1.8 6.0 100 94 A 38 THR HG2% A 49 GLU HGx 1.0 1.8 5.5 101 95 A 38 THR H A 49 GLU HBx 1.0 1.8 5.0 102 96 A 38 THR H A 48 LEU HA 1.0 1.8 5.0 103 97 A 40 SER HBy A 46 GLY HA3 1.0 1.8 4.0 104 98 A 46 GLY HA3 A 40 SER HBx 1.0 1.8 5.0 105 99 A 40 SER HBy A 46 GLY HA2 1.0 1.8 5.0 106 100 A 46 GLY HA2 A 40 SER HBx 1.0 1.8 5.0 107 101 A 131 THR HA A 45 GLN HBy 1.0 1.8 4.0 108 101 A 131 THR HA A 45 GLN HBx 1.0 1.8 4.0 109 102 A 131 THR HA A 45 GLN HG2 1.0 1.8 5.0 110 102 A 45 GLN HG3 A 131 THR HA 1.0 1.8 5.0 111 103 A 45 GLN HA A 131 THR HA 1.0 1.8 3.5 112 104 A 45 GLN HA A 131 THR HG2% 1.0 1.8 5.5 113 105 A 131 THR HG2% A 45 GLN HBy 1.0 1.8 5.0 114 105 A 131 THR HG2% A 45 GLN HBx 1.0 1.8 5.0 115 106 A 131 THR HG2% A 45 GLN HG2 1.0 1.8 5.5 116 106 A 45 GLN HG3 A 131 THR HG2% 1.0 1.8 5.5 117 107 A 131 THR HA A 45 GLN HBy 1.0 1.8 5.0 118 108 A 131 THR HA A 45 GLN HBx 1.0 1.8 5.0 119 109 A 131 THR HG2% A 45 GLN HBy 1.0 1.8 5.5 120 110 A 131 THR HG2% A 45 GLN HBx 1.0 1.8 5.5 121 111 A 45 GLN HA A 132 CYS H 1.0 1.8 5.0 122 112 A 132 CYS H A 45 GLN HBy 1.0 1.8 5.0 123 112 A 132 CYS H A 45 GLN HBx 1.0 1.8 5.0 124 113 A 95 PHE HD% A 46 GLY HA3 1.0 1.8 5.5 125 114 A 95 PHE HD% A 46 GLY HA2 1.0 1.8 5.5 126 115 A 38 THR H A 46 GLY HA2 1.0 1.8 5.0 127 116 A 132 CYS H A 46 GLY H 1.0 1.8 5.0 128 117 A 130 LEU H A 46 GLY H 1.0 1.8 5.0 129 118 A 131 THR HA A 46 GLY H 1.0 1.8 5.0 130 119 A 127 SER HBx A 47 GLN HG2 1.0 1.8 5.0 131 119 A 47 GLN HG3 A 127 SER HBx 1.0 1.8 5.0 132 120 A 47 GLN HA A 129 GLY HA2 1.0 1.8 5.0 133 121 A 47 GLN HA A 129 GLY HA3 1.0 1.8 5.0 134 122 A 129 GLY HA2 A 47 GLN HG2 1.0 1.8 5.0 135 122 A 47 GLN HG3 A 129 GLY HA2 1.0 1.8 5.0 136 123 A 48 LEU HDx% A 130 LEU HDx% 1.0 1.8 6.0 137 124 A 48 LEU HDx% A 80 VAL HGx% 1.0 1.8 6.0 138 125 A 48 LEU HDx% A 80 VAL HGy% 1.0 1.8 5.5 139 126 A 48 LEU HDy% A 80 VAL HGy% 1.0 1.8 6.0 140 127 A 48 LEU HDy% A 114 PHE HE% 1.0 1.8 6.0 141 128 A 48 LEU H A 129 GLY HA2 1.0 1.8 5.0 142 129 A 49 GLU HA A 58 MET HA 1.0 1.8 5.0 143 130 A 49 GLU HGy A 58 MET HA 1.0 1.8 4.0 144 131 A 49 GLU HGx A 58 MET HA 1.0 1.8 5.0 145 132 A 49 GLU HA A 59 VAL HGx% 1.0 1.8 5.5 146 133 A 49 GLU HA A 59 VAL HGy% 1.0 1.8 5.5 147 134 A 49 GLU HBy A 56 TRP HE3 1.0 1.8 5.0 148 135 A 49 GLU HBx A 56 TRP HE3 1.0 1.8 5.0 149 136 A 49 GLU HGy A 57 HIS H 1.0 1.8 5.0 150 137 A 50 VAL HA A 56 TRP HH2 1.0 1.8 5.0 151 138 A 114 PHE HD% A 50 VAL HGx% 1.0 1.8 6.0 152 139 A 114 PHE HE% A 50 VAL HGx% 1.0 1.8 6.0 153 140 A 114 PHE HZ A 50 VAL HGx% 1.0 1.8 5.5 154 141 A 50 VAL HGy% A 64 TRP HZ2 1.0 1.8 5.5 155 142 A 50 VAL HGy% A 114 PHE HE% 1.0 1.8 6.0 156 143 A 57 HIS H A 50 VAL HGx% 1.0 1.8 5.5 157 144 A 50 VAL H A 57 HIS H 1.0 1.8 5.0 158 145 A 50 VAL H A 56 TRP HE3 1.0 1.8 5.0 159 146 A 50 VAL H A 59 VAL HGy% 1.0 1.8 5.5 160 147 A 51 TYR HA A 57 HIS H 1.0 1.8 5.0 161 148 A 52 LEU HDy% A 117 CYS HBy 1.0 1.8 5.5 162 149 A 52 LEU HDy% A 117 CYS HBx 1.0 1.8 5.5 163 150 A 52 LEU HDy% A 114 PHE HBx 1.0 1.8 5.5 164 151 A 64 TRP HH2 A 52 LEU HDx% 1.0 1.8 5.5 165 152 A 52 LEU HDy% A 114 PHE HBy 1.0 1.8 5.5 166 153 A 114 PHE HD% A 52 LEU HDx% 1.0 1.8 6.0 167 154 A 52 LEU HDy% A 114 PHE HD% 1.0 1.8 6.0 168 155 A 57 HIS HBy A 105 ILE HD1% 1.0 1.8 5.5 169 156 A 57 HIS HBy A 105 ILE HG2% 1.0 1.8 5.5 170 157 A 57 HIS HBx A 105 ILE HG2% 1.0 1.8 5.5 171 158 A 57 HIS HBy A 64 TRP HH2 1.0 1.8 5.0 172 159 A 57 HIS HBx A 105 ILE HD1% 1.0 1.8 5.5 173 160 A 57 HIS HBy A 105 ILE HG1y 1.0 1.8 5.0 174 161 A 57 HIS HBx A 105 ILE HG1y 1.0 1.8 5.0 175 162 A 58 MET HE% A 104 SER HA 1.0 1.8 5.5 176 163 A 58 MET HE% A 104 SER HBy 1.0 1.8 5.5 177 164 A 58 MET HE% A 104 SER HBx 1.0 1.8 5.5 178 165 A 58 MET HGx A 104 SER HA 1.0 1.8 5.0 179 166 A 58 MET HE% A 103 SER HBx 1.0 1.8 5.5 180 167 A 58 MET HE% A 100 THR HG2% 1.0 1.8 6.0 181 168 A 58 MET HE% A 99 TYR HA 1.0 1.8 5.5 182 169 A 59 VAL HA A 105 ILE HG1y 1.0 1.8 4.0 183 170 A 59 VAL HA A 105 ILE HG1x 1.0 1.8 5.0 184 171 A 59 VAL HB A 105 ILE HD1% 1.0 1.8 5.5 185 172 A 59 VAL HGy% A 50 VAL HGx% 1.0 1.8 6.0 186 173 A 59 VAL HGy% A 99 TYR HD% 1.0 1.8 6.0 187 174 A 59 VAL HA A 105 ILE H 1.0 1.8 5.0 188 175 A 48 LEU HA A 59 VAL H 1.0 1.8 5.0 189 176 A 60 CYS HBy A 106 ILE HA 1.0 1.8 5.0 190 177 A 60 CYS HBx A 106 ILE HA 1.0 1.8 5.0 191 178 A 60 CYS HBy A 106 ILE HG1y 1.0 1.8 5.0 192 179 A 60 CYS H A 105 ILE H 1.0 1.8 5.0 193 180 A 61 SER HA A 90 LEU HDx% 1.0 1.8 5.5 194 180 A 90 LEU HDy% A 61 SER HA 1.0 1.8 5.5 195 181 A 90 LEU HDy% A 61 SER HA 1.0 1.8 5.5 196 182 A 62 GLN HGy A 106 ILE HG2% 1.0 1.8 5.5 197 183 A 62 GLN HGx A 106 ILE HG2% 1.0 1.8 5.5 198 184 A 62 GLN HGx A 106 ILE HD1% 1.0 1.8 5.5 199 185 A 62 GLN HGy A 128 LEU H 1.0 1.8 5.0 200 186 A 106 ILE HG1x A 63 SER HA 1.0 1.8 5.0 201 187 A 106 ILE HD1% A 63 SER HA 1.0 1.8 5.5 202 188 A 106 ILE HG2% A 63 SER HA 1.0 1.8 5.5 203 189 A 63 SER HBy A 107 CYS HBy 1.0 1.8 5.0 204 190 A 107 CYS H A 63 SER HA 1.0 1.8 4.0 205 191 A 63 SER HBy A 107 CYS H 1.0 1.8 5.0 206 192 A 63 SER HBx A 107 CYS H 1.0 1.8 5.0 207 193 A 64 TRP HBx A 111 LEU HDx% 1.0 1.8 5.5 208 194 A 64 TRP HA A 108 TYR HA 1.0 1.8 5.0 209 195 A 64 TRP HBy A 111 LEU HA 1.0 1.8 5.0 210 196 A 64 TRP HBx A 111 LEU HA 1.0 1.8 5.0 211 197 A 114 PHE HE% A 64 TRP HZ3 1.0 1.8 5.5 212 198 A 114 PHE HZ A 64 TRP HZ3 1.0 1.8 5.0 213 199 A 64 TRP HZ2 A 114 PHE HE% 1.0 1.8 5.5 214 200 A 64 TRP HZ2 A 114 PHE HZ 1.0 1.8 5.0 215 201 A 64 TRP HZ2 A 107 CYS HBx 1.0 1.8 5.0 216 202 A 64 TRP HA A 109 GLY H 1.0 1.8 5.0 217 203 A 64 TRP HD1 A 109 GLY H 1.0 1.8 5.0 218 204 A 64 TRP HE1 A 113 SER H 1.0 1.8 5.0 219 205 A 64 TRP HE1 A 107 CYS HBx 1.0 1.8 5.0 220 206 A 64 TRP HE1 A 107 CYS HBy 1.0 1.8 5.0 221 207 A 64 TRP HE1 A 113 SER HBx 1.0 1.8 5.0 222 208 A 64 TRP H A 108 TYR HA 1.0 1.8 5.0 223 209 A 64 TRP H A 108 TYR HBx 1.0 1.8 5.0 224 210 A 111 LEU H A 65 GLY H 1.0 1.8 5.0 225 211 A 70 GLN HA A 94 PRO HD2 1.0 1.8 5.5 226 211 A 70 GLN HA A 94 PRO HD3 1.0 1.8 5.5 227 212 A 70 GLN HA A 93 GLY HA3 1.0 1.8 5.0 228 213 A 74 PRO HA A 92 LEU HBy 1.0 1.8 5.0 229 214 A 74 PRO HA A 92 LEU HBx 1.0 1.8 5.0 230 215 A 74 PRO HA A 92 LEU HDx% 1.0 1.8 5.5 231 216 A 74 PRO HA A 92 LEU HDy% 1.0 1.8 5.5 232 217 A 74 PRO HBy A 91 SER HA 1.0 1.8 5.0 233 218 A 74 PRO HBx A 91 SER HA 1.0 1.8 5.0 234 219 A 74 PRO HGx A 91 SER HA 1.0 1.8 5.0 235 220 A 74 PRO HBx A 92 LEU H 1.0 1.8 5.0 236 221 A 89 PRO HGy A 75 SER HB2 1.0 1.8 5.0 237 221 A 89 PRO HGy A 75 SER HB3 1.0 1.8 5.0 238 222 A 89 PRO HGx A 75 SER HB2 1.0 1.8 5.0 239 222 A 89 PRO HGx A 75 SER HB3 1.0 1.8 5.0 240 223 A 111 LEU HDx% A 76 GLN HG2 1.0 1.8 5.5 241 223 A 76 GLN HG3 A 111 LEU HDx% 1.0 1.8 5.5 242 224 A 76 GLN HBy A 111 LEU HDy% 1.0 1.8 5.5 243 225 A 76 GLN HBx A 111 LEU HDy% 1.0 1.8 5.5 244 226 A 111 LEU HDy% A 76 GLN HG2 1.0 1.8 5.5 245 226 A 76 GLN HG3 A 111 LEU HDy% 1.0 1.8 5.5 246 227 A 77 ALA HB% A 89 PRO HBy 1.0 1.8 5.5 247 228 A 77 ALA HB% A 89 PRO HBx 1.0 1.8 5.5 248 229 A 77 ALA HB% A 89 PRO HGx 1.0 1.8 5.5 249 230 A 77 ALA HB% A 89 PRO HGy 1.0 1.8 5.0 250 231 A 77 ALA H A 89 PRO HGx 1.0 1.8 5.0 251 232 A 78 SER H A 89 PRO HGy 1.0 1.8 5.0 252 233 A 78 SER H A 89 PRO HGx 1.0 1.8 5.0 253 234 A 81 CYS HBx A 132 CYS HBx 1.0 1.8 5.0 254 235 A 81 CYS HBx A 132 CYS HBy 1.0 1.8 5.0 255 236 A 81 CYS HBx A 132 CYS HBy 1.0 1.8 5.0 256 237 A 86 CYS HBy A 132 CYS HBx 1.0 1.8 5.0 257 238 A 86 CYS HBx A 132 CYS HBx 1.0 1.8 5.0 258 239 A 86 CYS HBy A 132 CYS HBy 1.0 1.8 5.0 259 240 A 86 CYS HBx A 132 CYS HBy 1.0 1.8 5.0 260 241 A 87 GLY HA3 A 133 LEU HB2 1.0 1.8 5.0 261 241 A 133 LEU HB3 A 87 GLY HA3 1.0 1.8 5.0 262 242 A 87 GLY HA2 A 133 LEU HB2 1.0 1.8 5.0 263 242 A 133 LEU HB3 A 87 GLY HA2 1.0 1.8 5.0 264 243 A 87 GLY H A 133 LEU HB2 1.0 1.8 5.0 265 243 A 133 LEU HB3 A 87 GLY H 1.0 1.8 5.0 266 244 A 88 ASP HBy A 133 LEU HDy% 1.0 1.8 5.5 267 245 A 88 ASP HBx A 133 LEU HDy% 1.0 1.8 5.5 268 246 A 88 ASP H A 133 LEU H 1.0 1.8 5.0 269 247 A 88 ASP H A 133 LEU HB2 1.0 1.8 4.0 270 247 A 88 ASP H A 133 LEU HB3 1.0 1.8 4.0 271 248 A 88 ASP H A 133 LEU HDx% 1.0 1.8 6.0 272 248 A 88 ASP H A 133 LEU HDy% 1.0 1.8 6.0 273 249 A 89 PRO HA A 132 CYS HA 1.0 1.8 5.0 274 250 A 89 PRO HA A 130 LEU HDy% 1.0 1.8 5.5 275 251 A 89 PRO HBx A 130 LEU HDy% 1.0 1.8 5.5 276 252 A 89 PRO HBy A 130 LEU HDy% 1.0 1.8 5.5 277 253 A 89 PRO HGx A 130 LEU HDy% 1.0 1.8 5.5 278 254 A 89 PRO HBy A 132 CYS HA 1.0 1.8 5.0 279 255 A 89 PRO HBx A 132 CYS HA 1.0 1.8 5.0 280 256 A 90 LEU HBy A 131 THR HB 1.0 1.8 5.0 281 257 A 90 LEU HBx A 131 THR HB 1.0 1.8 5.0 282 258 A 133 LEU HA A 90 LEU HDx% 1.0 1.8 5.5 283 259 A 90 LEU HBy A 131 THR HG2% 1.0 1.8 5.5 284 260 A 90 LEU HBx A 131 THR HG2% 1.0 1.8 5.5 285 261 A 90 LEU HBy A 130 LEU HBx 1.0 1.8 5.0 286 262 A 90 LEU HBx A 130 LEU HBx 1.0 1.8 5.0 287 263 A 90 LEU H A 133 LEU H 1.0 1.8 5.0 288 264 A 90 LEU H A 132 CYS HA 1.0 1.8 5.0 289 265 A 90 LEU H A 133 LEU HA 1.0 1.8 5.0 290 266 A 91 SER H A 131 THR HB 1.0 1.8 5.0 291 267 A 91 SER H A 131 THR HG2% 1.0 1.8 5.5 292 268 A 91 SER H A 131 THR H 1.0 1.8 5.0 293 269 A 131 THR HB A 91 SER HBx 1.0 1.8 5.0 294 269 A 91 SER HBy A 131 THR HB 1.0 1.8 5.0 295 270 A 92 LEU HA A 130 LEU HA 1.0 1.8 3.0 296 271 A 92 LEU HDx% A 130 LEU HA 1.0 1.8 5.5 297 272 A 92 LEU HDy% A 130 LEU HA 1.0 1.8 5.0 298 273 A 92 LEU HG A 130 LEU HA 1.0 1.8 5.0 299 274 A 92 LEU HA A 130 LEU HDy% 1.0 1.8 5.5 300 275 A 92 LEU HBx A 130 LEU HDy% 1.0 1.8 5.5 301 276 A 92 LEU HG A 130 LEU HDy% 1.0 1.8 5.0 302 277 A 93 GLY H A 129 GLY H 1.0 1.8 5.0 303 278 A 130 LEU HA A 93 GLY H 1.0 1.8 5.0 304 279 A 130 LEU HDy% A 93 GLY H 1.0 1.8 5.5 305 280 A 94 PRO HBy A 126 HIS HB2 1.0 1.8 5.0 306 280 A 94 PRO HBy A 126 HIS HB3 1.0 1.8 5.0 307 281 A 94 PRO HBx A 126 HIS HB2 1.0 1.8 5.0 308 281 A 126 HIS HB3 A 94 PRO HBx 1.0 1.8 5.0 309 282 A 95 PHE HBy A 129 GLY HA3 1.0 1.8 5.0 310 283 A 95 PHE HD% A 129 GLY HA3 1.0 1.8 5.5 311 284 A 95 PHE HBy A 129 GLY HA2 1.0 1.8 4.0 312 285 A 95 PHE HBx A 129 GLY HA2 1.0 1.8 4.0 313 286 A 100 THR H A 120 SER HB2 1.0 1.8 5.0 314 286 A 100 THR H A 120 SER HB3 1.0 1.8 5.0 315 287 A 102 GLN H A 120 SER HB2 1.0 1.8 5.0 316 287 A 102 GLN H A 120 SER HB3 1.0 1.8 5.0 317 288 A 105 ILE HA A 119 HIS HA 1.0 1.8 5.0 318 289 A 105 ILE HB A 117 CYS HBy 1.0 1.8 4.0 319 290 A 105 ILE HB A 117 CYS HBx 1.0 1.8 5.0 320 291 A 105 ILE HD1% A 117 CYS HBy 1.0 1.8 5.5 321 292 A 105 ILE HD1% A 117 CYS HBx 1.0 1.8 5.5 322 293 A 105 ILE HG2% A 117 CYS HBy 1.0 1.8 5.5 323 294 A 105 ILE HG2% A 117 CYS HBx 1.0 1.8 5.5 324 295 A 105 ILE HG2% A 119 HIS HA 1.0 1.8 5.5 325 296 A 105 ILE HD1% A 117 CYS HBy 1.0 1.8 5.5 326 297 A 105 ILE HD1% A 114 PHE HD% 1.0 1.8 6.0 327 298 A 105 ILE HD1% A 114 PHE HE% 1.0 1.8 6.0 328 299 A 105 ILE HA A 120 SER H 1.0 1.8 5.0 329 300 A 105 ILE HG1x A 118 SER H 1.0 1.8 5.0 330 301 A 106 ILE HG2% A 120 SER HA 1.0 1.8 5.5 331 302 A 106 ILE HB A 120 SER HB2 1.0 1.8 5.0 332 302 A 106 ILE HB A 120 SER HB3 1.0 1.8 5.0 333 303 A 106 ILE HD1% A 120 SER HB2 1.0 1.8 5.5 334 303 A 106 ILE HD1% A 120 SER HB3 1.0 1.8 5.5 335 304 A 106 ILE HG1x A 120 SER HB2 1.0 1.8 5.0 336 304 A 106 ILE HG1x A 120 SER HB3 1.0 1.8 5.0 337 305 A 106 ILE HG2% A 118 SER HB2 1.0 1.8 5.5 338 305 A 106 ILE HG2% A 118 SER HB3 1.0 1.8 5.5 339 306 A 106 ILE HG2% A 120 SER HB2 1.0 1.8 5.5 340 306 A 106 ILE HG2% A 120 SER HB3 1.0 1.8 5.5 341 307 A 106 ILE HG2% A 118 SER H 1.0 1.8 5.5 342 308 A 106 ILE H A 118 SER H 1.0 1.8 5.0 343 309 A 107 CYS HBx A 114 PHE HA 1.0 1.8 5.0 344 310 A 117 CYS HBy A 107 CYS HA 1.0 1.8 5.0 345 311 A 117 CYS HBx A 107 CYS HA 1.0 1.8 5.0 346 312 A 107 CYS HA A 117 CYS HA 1.0 1.8 3.5 347 313 A 118 SER H A 107 CYS HA 1.0 1.8 5.0 348 314 A 118 SER H A 108 TYR HE% 1.0 1.8 5.5 349 315 A 108 TYR H A 117 CYS HA 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_13 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_13 _nef_distance_restraint_list.restraint_origin disulfide_bond _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 44 CYS SG A 86 CYS SG 1.0 2.0 2.1 2 2 A 44 CYS CB A 86 CYS CB 1.0 3.0 3.1 3 3 A 60 CYS SG A 125 CYS SG 1.0 2.0 2.1 4 4 A 60 CYS CB A 125 CYS CB 1.0 3.0 3.1 5 5 A 81 CYS SG A 132 CYS SG 1.0 2.0 2.1 6 6 A 81 CYS CB A 132 CYS CB 1.0 3.0 3.1 7 7 A 107 CYS SG A 117 CYS SG 1.0 2.0 2.1 8 8 A 107 CYS CB A 117 CYS CB 1.0 3.0 3.1 stop_ save_ save_CNS/XPLOR_distance_constraints_9 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_9 _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 26 LEU H A 25 ARG HA 1.0 1.8 3.5 2 2 A 26 LEU H A 25 ARG HBx 1.0 1.8 5.0 3 3 A 26 LEU HA A 27 SER H 1.0 1.8 3.0 4 4 A 27 SER H A 26 LEU HBy 1.0 1.8 5.0 5 4 A 26 LEU HBx A 27 SER H 1.0 1.8 5.0 6 5 A 26 LEU HDy% A 27 SER H 1.0 1.8 5.5 7 6 A 26 LEU H A 27 SER H 1.0 1.8 5.0 8 7 A 28 TRP H A 27 SER HA 1.0 1.8 4.0 9 8 A 27 SER HBy A 28 TRP H 1.0 1.8 5.0 10 9 A 27 SER HBx A 28 TRP H 1.0 1.8 5.0 11 10 A 29 TYR H A 28 TRP HA 1.0 1.8 5.0 12 11 A 28 TRP HD1 A 29 TYR H 1.0 1.8 5.0 13 12 A 28 TRP H A 29 TYR H 1.0 1.8 5.0 14 13 A 28 TRP HE1 A 29 TYR HD% 1.0 1.8 5.5 15 14 A 29 TYR HA A 30 ASP H 1.0 1.8 5.0 16 15 A 29 TYR HBy A 30 ASP H 1.0 1.8 5.0 17 16 A 29 TYR HBx A 30 ASP H 1.0 1.8 5.0 18 17 A 28 TRP H A 29 TYR HE% 1.0 1.8 5.5 19 18 A 29 TYR H A 30 ASP H 1.0 1.8 4.0 20 19 A 30 ASP HA A 31 PRO HDy 1.0 1.8 3.5 21 20 A 30 ASP HA A 31 PRO HDx 1.0 1.8 3.5 22 21 A 30 ASP HBx A 31 PRO HDy 1.0 1.8 5.0 23 22 A 30 ASP HBx A 31 PRO HDx 1.0 1.8 5.0 24 23 A 30 ASP HA A 31 PRO HDy 1.0 1.8 3.5 25 23 A 30 ASP HA A 31 PRO HDx 1.0 1.8 3.5 26 24 A 30 ASP HA A 31 PRO HGy 1.0 1.8 5.0 27 24 A 30 ASP HA A 31 PRO HGx 1.0 1.8 5.0 28 25 A 30 ASP HBx A 31 PRO HDy 1.0 1.8 5.0 29 25 A 30 ASP HBx A 31 PRO HDx 1.0 1.8 5.0 30 26 A 31 PRO HA A 32 ASP H 1.0 1.8 5.0 31 27 A 32 ASP H A 31 PRO HDy 1.0 1.8 4.0 32 28 A 32 ASP H A 31 PRO HGy 1.0 1.8 5.0 33 28 A 32 ASP H A 31 PRO HGx 1.0 1.8 5.0 34 29 A 33 PHE H A 32 ASP HA 1.0 1.8 5.0 35 30 A 33 PHE H A 32 ASP HB2 1.0 1.8 5.0 36 30 A 32 ASP HB3 A 33 PHE H 1.0 1.8 5.0 37 31 A 32 ASP H A 33 PHE H 1.0 1.8 4.0 38 32 A 33 PHE HA A 34 GLN H 1.0 1.8 3.5 39 33 A 33 PHE HBx A 34 GLN H 1.0 1.8 5.0 40 34 A 33 PHE HD% A 34 GLN H 1.0 1.8 5.5 41 35 A 35 ALA HA A 34 GLN HBy 1.0 1.8 5.0 42 36 A 34 GLN H A 35 ALA H 1.0 1.8 5.0 43 37 A 34 GLN HA A 35 ALA H 1.0 1.8 3.0 44 38 A 35 ALA H A 34 GLN HBy 1.0 1.8 5.0 45 38 A 34 GLN HBx A 35 ALA H 1.0 1.8 5.0 46 39 A 34 GLN HGy A 35 ALA H 1.0 1.8 5.0 47 40 A 36 ARG H A 35 ALA HA 1.0 1.8 3.5 48 41 A 35 ALA HB% A 36 ARG H 1.0 1.8 4.0 49 42 A 35 ALA H A 36 ARG H 1.0 1.8 5.0 50 43 A 36 ARG H A 37 LEU H 1.0 1.8 5.0 51 44 A 37 LEU HA A 38 THR HG2% 1.0 1.8 5.5 52 45 A 37 LEU H A 38 THR HG2% 1.0 1.8 5.5 53 46 A 37 LEU HA A 38 THR H 1.0 1.8 3.5 54 47 A 37 LEU HBx A 38 THR H 1.0 1.8 5.0 55 48 A 37 LEU HDy% A 38 THR H 1.0 1.8 5.5 56 49 A 38 THR HB A 39 ARG HGy 1.0 1.8 5.5 57 50 A 38 THR HG2% A 39 ARG H 1.0 1.8 5.5 58 51 A 38 THR HA A 39 ARG H 1.0 1.8 4.0 59 52 A 38 THR HB A 39 ARG H 1.0 1.8 4.0 60 53 A 39 ARG H A 40 SER H 1.0 1.8 5.0 61 54 A 42 SER H A 41 ASN HA 1.0 1.8 5.0 62 55 A 43 LYS H A 42 SER HA 1.0 1.8 3.5 63 56 A 42 SER HBy A 43 LYS H 1.0 1.8 5.0 64 57 A 42 SER HBx A 43 LYS H 1.0 1.8 5.0 65 58 A 42 SER H A 43 LYS H 1.0 1.8 5.0 66 59 A 45 GLN HA A 46 GLY H 1.0 1.8 3.5 67 60 A 46 GLY H A 45 GLN HBy 1.0 1.8 5.0 68 61 A 46 GLY H A 45 GLN HBx 1.0 1.8 5.0 69 62 A 45 GLN H A 46 GLY H 1.0 1.8 5.0 70 63 A 47 GLN H A 46 GLY HA3 1.0 1.8 5.0 71 64 A 47 GLN H A 46 GLY HA2 1.0 1.8 4.0 72 65 A 47 GLN HA A 48 LEU H 1.0 1.8 4.0 73 66 A 47 GLN H A 46 GLY H 1.0 1.8 5.0 74 67 A 48 LEU HBy A 49 GLU H 1.0 1.8 5.0 75 68 A 48 LEU HDx% A 49 GLU H 1.0 1.8 5.5 76 69 A 48 LEU HG A 49 GLU H 1.0 1.8 5.0 77 70 A 48 LEU HA A 49 GLU H 1.0 1.8 5.0 78 71 A 49 GLU HA A 50 VAL H 1.0 1.8 3.5 79 72 A 49 GLU HBy A 50 VAL H 1.0 1.8 5.0 80 73 A 49 GLU HBx A 50 VAL H 1.0 1.8 5.0 81 74 A 49 GLU H A 50 VAL H 1.0 1.8 5.0 82 75 A 50 VAL HA A 51 TYR H 1.0 1.8 4.0 83 76 A 50 VAL HB A 51 TYR H 1.0 1.8 5.0 84 77 A 50 VAL HGy% A 51 TYR H 1.0 1.8 5.5 85 78 A 51 TYR HA A 52 LEU H 1.0 1.8 3.5 86 79 A 51 TYR HBy A 52 LEU H 1.0 1.8 5.0 87 80 A 52 LEU HBy A 53 LYS H 1.0 1.8 5.0 88 81 A 52 LEU HBx A 53 LYS H 1.0 1.8 4.0 89 82 A 53 LYS H A 52 LEU HDx% 1.0 1.8 6.0 90 82 A 52 LEU HDy% A 53 LYS H 1.0 1.8 6.0 91 83 A 53 LYS HA A 54 ASP H 1.0 1.8 5.0 92 84 A 54 ASP H A 53 LYS HB2 1.0 1.8 4.0 93 84 A 53 LYS HB3 A 54 ASP H 1.0 1.8 4.0 94 85 A 54 ASP H A 53 LYS HG2 1.0 1.8 5.0 95 85 A 53 LYS HG3 A 54 ASP H 1.0 1.8 5.0 96 86 A 54 ASP HA A 55 GLY H 1.0 1.8 5.0 97 87 A 54 ASP H A 55 GLY H 1.0 1.8 4.0 98 88 A 56 TRP H A 55 GLY HA3 1.0 1.8 4.0 99 89 A 56 TRP H A 55 GLY HA2 1.0 1.8 4.0 100 90 A 56 TRP H A 55 GLY H 1.0 1.8 5.0 101 91 A 56 TRP HA A 57 HIS H 1.0 1.8 3.5 102 92 A 56 TRP HBx A 57 HIS H 1.0 1.8 5.0 103 93 A 56 TRP HE3 A 57 HIS H 1.0 1.8 5.0 104 94 A 58 MET H A 57 HIS HA 1.0 1.8 3.5 105 95 A 57 HIS HBy A 58 MET H 1.0 1.8 5.0 106 96 A 57 HIS HBx A 58 MET H 1.0 1.8 5.0 107 97 A 58 MET HA A 59 VAL HGy% 1.0 1.8 5.5 108 98 A 58 MET HA A 59 VAL H 1.0 1.8 5.0 109 99 A 59 VAL HA A 60 CYS H 1.0 1.8 3.5 110 100 A 59 VAL HGx% A 60 CYS H 1.0 1.8 5.5 111 101 A 59 VAL HGy% A 60 CYS H 1.0 1.8 5.5 112 102 A 61 SER H A 60 CYS HA 1.0 1.8 3.5 113 103 A 60 CYS HBx A 61 SER H 1.0 1.8 5.0 114 104 A 62 GLN HA A 63 SER H 1.0 1.8 5.0 115 105 A 63 SER H A 62 GLN HB2 1.0 1.8 5.0 116 105 A 62 GLN HB3 A 63 SER H 1.0 1.8 5.0 117 106 A 61 SER H A 62 GLN H 1.0 1.8 5.0 118 107 A 62 GLN H A 63 SER H 1.0 1.8 5.0 119 108 A 64 TRP H A 63 SER HA 1.0 1.8 3.5 120 109 A 63 SER HBy A 64 TRP H 1.0 1.8 5.0 121 110 A 63 SER HBx A 64 TRP H 1.0 1.8 5.0 122 111 A 63 SER H A 64 TRP H 1.0 1.8 5.0 123 112 A 64 TRP HA A 65 GLY H 1.0 1.8 5.0 124 113 A 66 ARG H A 65 GLY HA3 1.0 1.8 5.0 125 114 A 66 ARG H A 65 GLY HA2 1.0 1.8 5.0 126 115 A 64 TRP H A 65 GLY H 1.0 1.8 4.0 127 116 A 66 ARG HA A 67 SER H 1.0 1.8 3.5 128 117 A 66 ARG HBy A 67 SER H 1.0 1.8 5.0 129 118 A 66 ARG HBx A 67 SER H 1.0 1.8 5.0 130 119 A 67 SER H A 66 ARG HG2 1.0 1.8 5.0 131 119 A 66 ARG HG3 A 67 SER H 1.0 1.8 5.0 132 120 A 66 ARG H A 65 GLY H 1.0 1.8 4.0 133 121 A 66 ARG H A 67 SER H 1.0 1.8 5.0 134 122 A 69 LYS H A 68 SER HA 1.0 1.8 4.0 135 123 A 69 LYS H A 68 SER HBx 1.0 1.8 5.0 136 123 A 69 LYS H A 68 SER HBy 1.0 1.8 5.0 137 124 A 69 LYS HA A 70 GLN H 1.0 1.8 4.0 138 125 A 69 LYS HBy A 70 GLN H 1.0 1.8 5.0 139 126 A 69 LYS HBx A 70 GLN H 1.0 1.8 5.0 140 127 A 70 GLN HA A 71 TRP H 1.0 1.8 4.0 141 128 A 71 TRP H A 70 GLN HB2 1.0 1.8 5.0 142 128 A 70 GLN HB3 A 71 TRP H 1.0 1.8 5.0 143 129 A 71 TRP HA A 72 GLU H 1.0 1.8 4.0 144 130 A 70 GLN H A 71 TRP H 1.0 1.8 5.0 145 131 A 73 ASP H A 72 GLU HA 1.0 1.8 5.0 146 132 A 72 GLU HBy A 73 ASP H 1.0 1.8 5.0 147 133 A 73 ASP H A 72 GLU HBx 1.0 1.8 5.0 148 134 A 72 GLU H A 73 ASP H 1.0 1.8 5.0 149 135 A 74 PRO HDy A 73 ASP HA 1.0 1.8 5.0 150 136 A 73 ASP HA A 74 PRO HDx 1.0 1.8 4.0 151 137 A 74 PRO HA A 75 SER H 1.0 1.8 5.0 152 138 A 74 PRO HBy A 75 SER H 1.0 1.8 5.0 153 139 A 74 PRO HBx A 75 SER H 1.0 1.8 5.0 154 140 A 74 PRO HDy A 75 SER H 1.0 1.8 5.0 155 141 A 74 PRO HGy A 75 SER H 1.0 1.8 5.0 156 142 A 76 GLN H A 75 SER HA 1.0 1.8 5.0 157 143 A 76 GLN HA A 77 ALA H 1.0 1.8 5.0 158 144 A 76 GLN HBy A 77 ALA H 1.0 1.8 5.0 159 145 A 76 GLN HBx A 77 ALA H 1.0 1.8 5.0 160 146 A 75 SER H A 76 GLN HG2 1.0 1.8 5.0 161 146 A 76 GLN HG3 A 75 SER H 1.0 1.8 5.0 162 147 A 76 GLN H A 75 SER H 1.0 1.8 4.0 163 148 A 78 SER H A 77 ALA HA 1.0 1.8 4.0 164 149 A 77 ALA HB% A 78 SER H 1.0 1.8 5.5 165 150 A 79 LYS H A 78 SER HA 1.0 1.8 5.0 166 151 A 78 SER H A 79 LYS H 1.0 1.8 5.0 167 152 A 79 LYS HA A 80 VAL H 1.0 1.8 5.0 168 153 A 79 LYS H A 80 VAL H 1.0 1.8 5.0 169 154 A 80 VAL HGy% A 81 CYS HA 1.0 1.8 5.5 170 155 A 80 VAL HA A 81 CYS H 1.0 1.8 5.0 171 156 A 80 VAL HB A 81 CYS H 1.0 1.8 4.0 172 157 A 80 VAL HGy% A 81 CYS H 1.0 1.8 5.5 173 158 A 80 VAL H A 81 CYS H 1.0 1.8 4.0 174 159 A 81 CYS HBy A 82 GLN H 1.0 1.8 4.0 175 160 A 81 CYS HBx A 82 GLN H 1.0 1.8 5.0 176 161 A 81 CYS H A 82 GLN H 1.0 1.8 4.0 177 162 A 83 ARG HA A 84 LEU H 1.0 1.8 5.0 178 163 A 84 LEU H A 83 ARG HB2 1.0 1.8 5.0 179 163 A 83 ARG HB3 A 84 LEU H 1.0 1.8 5.0 180 164 A 83 ARG H A 84 LEU H 1.0 1.8 3.5 181 165 A 84 LEU HA A 85 ASN H 1.0 1.8 5.0 182 166 A 85 ASN H A 84 LEU HB2 1.0 1.8 5.0 183 166 A 84 LEU HB3 A 85 ASN H 1.0 1.8 5.0 184 167 A 84 LEU H A 85 ASN HA 1.0 1.8 5.0 185 168 A 86 CYS H A 85 ASN HA 1.0 1.8 4.0 186 169 A 84 LEU H A 85 ASN H 1.0 1.8 3.5 187 170 A 85 ASN H A 86 CYS H 1.0 1.8 4.0 188 171 A 85 ASN HA A 86 CYS HA 1.0 1.8 5.0 189 172 A 87 GLY HA3 A 86 CYS HA 1.0 1.8 5.0 190 173 A 87 GLY H A 86 CYS HA 1.0 1.8 4.0 191 174 A 86 CYS HBy A 87 GLY H 1.0 1.8 5.0 192 175 A 86 CYS HBx A 87 GLY H 1.0 1.8 4.0 193 176 A 86 CYS H A 87 GLY H 1.0 1.8 5.0 194 177 A 88 ASP H A 87 GLY HA3 1.0 1.8 4.0 195 178 A 88 ASP H A 87 GLY HA2 1.0 1.8 4.0 196 179 A 88 ASP H A 87 GLY H 1.0 1.8 5.0 197 180 A 88 ASP HBy A 89 PRO HDy 1.0 1.8 5.0 198 181 A 88 ASP HBy A 89 PRO HDx 1.0 1.8 5.0 199 182 A 88 ASP HBx A 89 PRO HDy 1.0 1.8 5.0 200 183 A 88 ASP HBx A 89 PRO HDx 1.0 1.8 5.0 201 184 A 89 PRO HDy A 88 ASP HA 1.0 1.8 3.5 202 185 A 89 PRO HGy A 88 ASP HA 1.0 1.8 5.0 203 186 A 89 PRO HDx A 88 ASP HA 1.0 1.8 3.0 204 187 A 89 PRO HA A 90 LEU H 1.0 1.8 3.5 205 188 A 89 PRO HBy A 90 LEU H 1.0 1.8 5.0 206 189 A 89 PRO HBx A 90 LEU H 1.0 1.8 5.0 207 190 A 90 LEU HBy A 91 SER H 1.0 1.8 5.0 208 191 A 90 LEU HBx A 91 SER H 1.0 1.8 5.0 209 192 A 91 SER H A 90 LEU HDx% 1.0 1.8 6.0 210 192 A 90 LEU HDy% A 91 SER H 1.0 1.8 6.0 211 193 A 90 LEU H A 91 SER H 1.0 1.8 4.0 212 194 A 92 LEU H A 91 SER HA 1.0 1.8 3.5 213 195 A 92 LEU H A 91 SER HBx 1.0 1.8 5.0 214 196 A 92 LEU HA A 93 GLY H 1.0 1.8 4.0 215 197 A 92 LEU HBx A 93 GLY H 1.0 1.8 5.0 216 198 A 92 LEU HDy% A 93 GLY H 1.0 1.8 5.5 217 199 A 93 GLY HA3 A 94 PRO HD2 1.0 1.8 5.0 218 199 A 94 PRO HD3 A 93 GLY HA3 1.0 1.8 5.0 219 200 A 93 GLY HA2 A 94 PRO HD2 1.0 1.8 4.0 220 200 A 94 PRO HD3 A 93 GLY HA2 1.0 1.8 4.0 221 201 A 95 PHE H A 94 PRO HA 1.0 1.8 4.0 222 202 A 95 PHE HD% A 96 LEU HDy% 1.0 1.8 5.5 223 203 A 95 PHE HA A 96 LEU H 1.0 1.8 5.0 224 204 A 95 PHE HBx A 96 LEU H 1.0 1.8 5.0 225 205 A 95 PHE HD% A 96 LEU H 1.0 1.8 5.0 226 206 A 97 LYS HBy A 98 THR H 1.0 1.8 5.0 227 207 A 97 LYS HBx A 98 THR H 1.0 1.8 5.0 228 208 A 98 THR HG2% A 99 TYR HA 1.0 1.8 5.5 229 209 A 98 THR HA A 99 TYR H 1.0 1.8 4.0 230 210 A 98 THR HB A 99 TYR H 1.0 1.8 5.0 231 211 A 98 THR HG2% A 99 TYR H 1.0 1.8 5.5 232 212 A 99 TYR HA A 100 THR H 1.0 1.8 4.0 233 213 A 99 TYR HBy A 100 THR H 1.0 1.8 5.0 234 214 A 99 TYR HBx A 100 THR H 1.0 1.8 5.0 235 215 A 99 TYR H A 100 THR H 1.0 1.8 5.0 236 216 A 100 THR HG2% A 101 PRO HD2 1.0 1.8 5.5 237 216 A 100 THR HG2% A 101 PRO HD3 1.0 1.8 5.5 238 217 A 100 THR HG2% A 101 PRO HA 1.0 1.8 5.5 239 218 A 102 GLN H A 101 PRO HA 1.0 1.8 3.0 240 219 A 104 SER H A 103 SER HBx 1.0 1.8 5.0 241 220 A 104 SER H A 103 SER HA 1.0 1.8 5.0 242 221 A 105 ILE H A 104 SER HA 1.0 1.8 4.0 243 222 A 105 ILE H A 104 SER HBx 1.0 1.8 4.0 244 222 A 104 SER HBy A 105 ILE H 1.0 1.8 4.0 245 223 A 105 ILE HD1% A 106 ILE HB 1.0 1.8 5.5 246 224 A 105 ILE HA A 106 ILE H 1.0 1.8 3.5 247 225 A 105 ILE HG1x A 106 ILE H 1.0 1.8 5.0 248 226 A 106 ILE HA A 107 CYS H 1.0 1.8 3.5 249 227 A 106 ILE HG1x A 107 CYS H 1.0 1.8 5.0 250 228 A 106 ILE HG2% A 107 CYS H 1.0 1.8 5.5 251 229 A 108 TYR H A 107 CYS HA 1.0 1.8 3.5 252 230 A 107 CYS HBy A 108 TYR H 1.0 1.8 5.0 253 231 A 107 CYS HBx A 108 TYR H 1.0 1.8 5.0 254 232 A 108 TYR HA A 109 GLY H 1.0 1.8 4.0 255 233 A 108 TYR HBy A 109 GLY H 1.0 1.8 5.0 256 234 A 108 TYR HBx A 109 GLY H 1.0 1.8 5.0 257 235 A 110 GLN H A 109 GLY HAy 1.0 1.8 4.0 258 236 A 110 GLN H A 109 GLY HAx 1.0 1.8 3.0 259 237 A 110 GLN HA A 111 LEU H 1.0 1.8 3.0 260 238 A 111 LEU H A 110 GLN HB2 1.0 1.8 5.0 261 238 A 110 GLN HB3 A 111 LEU H 1.0 1.8 5.0 262 239 A 112 GLY H A 111 LEU HBy 1.0 1.8 5.0 263 239 A 112 GLY H A 111 LEU HBx 1.0 1.8 5.0 264 240 A 111 LEU HA A 112 GLY H 1.0 1.8 3.5 265 241 A 111 LEU HDx% A 112 GLY H 1.0 1.8 5.5 266 242 A 111 LEU HG A 112 GLY H 1.0 1.8 5.0 267 243 A 113 SER H A 112 GLY HA3 1.0 1.8 5.0 268 244 A 113 SER H A 112 GLY HA2 1.0 1.8 5.0 269 245 A 113 SER H A 112 GLY H 1.0 1.8 4.0 270 246 A 114 PHE H A 113 SER HA 1.0 1.8 3.0 271 247 A 113 SER HBy A 114 PHE H 1.0 1.8 5.0 272 248 A 114 PHE HA A 115 SER H 1.0 1.8 5.0 273 249 A 114 PHE HBx A 115 SER H 1.0 1.8 5.0 274 250 A 114 PHE H A 115 SER H 1.0 1.8 3.5 275 251 A 115 SER H A 116 ASN H 1.0 1.8 4.0 276 252 A 117 CYS H A 116 ASN HA 1.0 1.8 3.0 277 253 A 116 ASN H A 117 CYS H 1.0 1.8 5.0 278 254 A 118 SER H A 117 CYS HA 1.0 1.8 3.5 279 255 A 117 CYS HBy A 118 SER H 1.0 1.8 5.0 280 256 A 117 CYS HBx A 118 SER H 1.0 1.8 5.0 281 257 A 117 CYS H A 118 SER H 1.0 1.8 5.0 282 258 A 120 SER H A 119 HIS HA 1.0 1.8 3.5 283 259 A 120 SER H A 119 HIS HB2 1.0 1.8 5.0 284 259 A 120 SER H A 119 HIS HB3 1.0 1.8 5.0 285 260 A 118 SER H A 119 HIS H 1.0 1.8 5.0 286 261 A 121 ARG H A 120 SER HA 1.0 1.8 4.0 287 262 A 121 ARG H A 120 SER HB2 1.0 1.8 5.0 288 262 A 120 SER HB3 A 121 ARG H 1.0 1.8 5.0 289 263 A 121 ARG HA A 122 ASN H 1.0 1.8 5.0 290 264 A 122 ASN H A 121 ARG HBx 1.0 1.8 5.0 291 265 A 121 ARG H A 122 ASN H 1.0 1.8 5.0 292 266 A 123 ASP H A 122 ASN HA 1.0 1.8 4.0 293 267 A 122 ASN HBy A 123 ASP H 1.0 1.8 5.0 294 268 A 124 MET H A 123 ASP HA 1.0 1.8 3.5 295 269 A 123 ASP H A 124 MET H 1.0 1.8 4.0 296 270 A 124 MET HA A 125 CYS H 1.0 1.8 4.0 297 271 A 127 SER H A 126 HIS HA 1.0 1.8 4.0 298 272 A 127 SER H A 126 HIS HB2 1.0 1.8 5.0 299 272 A 127 SER H A 126 HIS HB3 1.0 1.8 5.0 300 273 A 128 LEU H A 127 SER HA 1.0 1.8 3.5 301 274 A 127 SER HBy A 128 LEU H 1.0 1.8 5.0 302 275 A 127 SER HBx A 128 LEU H 1.0 1.8 5.0 303 276 A 128 LEU HA A 129 GLY H 1.0 1.8 4.0 304 277 A 128 LEU HBx A 129 GLY H 1.0 1.8 5.0 305 278 A 130 LEU H A 129 GLY HA3 1.0 1.8 4.0 306 279 A 130 LEU H A 129 GLY HA2 1.0 1.8 4.0 307 280 A 130 LEU HA A 131 THR H 1.0 1.8 3.5 308 281 A 130 LEU HDy% A 129 GLY H 1.0 1.8 5.5 309 282 A 130 LEU HDy% A 131 THR H 1.0 1.8 5.0 310 283 A 130 LEU HG A 131 THR H 1.0 1.8 5.0 311 284 A 130 LEU H A 131 THR HB 1.0 1.8 5.0 312 285 A 131 THR HA A 132 CYS H 1.0 1.8 3.0 313 286 A 131 THR HB A 132 CYS H 1.0 1.8 5.0 314 287 A 131 THR HG2% A 132 CYS H 1.0 1.8 5.5 315 288 A 133 LEU H A 132 CYS HA 1.0 1.8 4.0 316 289 A 132 CYS HBy A 133 LEU H 1.0 1.8 5.0 317 290 A 132 CYS HBx A 133 LEU H 1.0 1.8 5.0 318 291 A 133 LEU HA A 134 GLU H 1.0 1.8 3.5 319 292 A 134 GLU H A 133 LEU HB2 1.0 1.8 5.0 320 292 A 133 LEU HB3 A 134 GLU H 1.0 1.8 5.0 321 293 A 134 GLU H A 133 LEU HDx% 1.0 1.8 6.0 322 293 A 133 LEU HDy% A 134 GLU H 1.0 1.8 6.0 stop_ save_ save_CNS/XPLOR_distance_constraints_11 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_11 _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 27 SER HBx A 29 TYR HD% 1.0 1.8 5.5 2 2 A 27 SER HBx A 30 ASP H 1.0 1.8 5.0 3 3 A 27 SER H A 30 ASP H 1.0 1.8 5.0 4 4 A 27 SER H A 30 ASP HBy 1.0 1.8 5.0 5 5 A 33 PHE HBy A 28 TRP HA 1.0 1.8 4.0 6 6 A 33 PHE HBx A 28 TRP HA 1.0 1.8 5.0 7 7 A 33 PHE HD% A 28 TRP HA 1.0 1.8 5.0 8 8 A 30 ASP H A 28 TRP HA 1.0 1.8 5.0 9 9 A 29 TYR H A 33 PHE HBy 1.0 1.8 5.0 10 10 A 30 ASP HBx A 33 PHE HBx 1.0 1.8 3.5 11 11 A 30 ASP H A 33 PHE HBx 1.0 1.8 5.0 12 12 A 30 ASP HBy A 32 ASP H 1.0 1.8 5.0 13 13 A 30 ASP HBx A 32 ASP H 1.0 1.8 5.0 14 14 A 30 ASP HBx A 33 PHE H 1.0 1.8 5.0 15 15 A 31 PRO HA A 33 PHE H 1.0 1.8 5.0 16 16 A 33 PHE HD% A 35 ALA HB% 1.0 1.8 6.0 17 17 A 35 ALA HB% A 33 PHE HE% 1.0 1.8 6.0 18 18 A 36 ARG HDy A 38 THR HG2% 1.0 1.8 5.5 19 19 A 36 ARG HDx A 38 THR HG2% 1.0 1.8 5.5 20 20 A 37 LEU HDx% A 42 SER HA 1.0 1.8 5.5 21 21 A 40 SER HBy A 42 SER H 1.0 1.8 5.0 22 22 A 42 SER HBy A 45 GLN HBy 1.0 1.8 5.0 23 22 A 42 SER HBy A 45 GLN HBx 1.0 1.8 5.0 24 23 A 42 SER HBy A 45 GLN HG2 1.0 1.8 5.0 25 23 A 42 SER HBy A 45 GLN HG3 1.0 1.8 5.0 26 24 A 45 GLN H A 42 SER HA 1.0 1.8 5.0 27 25 A 42 SER HBy A 45 GLN H 1.0 1.8 5.0 28 26 A 42 SER H A 45 GLN H 1.0 1.8 5.0 29 27 A 48 LEU HBx A 50 VAL HGy% 1.0 1.8 5.5 30 28 A 52 LEU HG A 50 VAL HGx% 1.0 1.8 5.5 31 29 A 51 TYR HD% A 56 TRP HD1 1.0 1.8 5.5 32 30 A 54 ASP HA A 51 TYR HE% 1.0 1.8 5.5 33 31 A 55 GLY HA3 A 51 TYR HE% 1.0 1.8 5.5 34 32 A 55 GLY HA2 A 51 TYR HE% 1.0 1.8 5.5 35 33 A 51 TYR HA A 56 TRP HA 1.0 1.8 5.0 36 34 A 51 TYR HD% A 56 TRP HE1 1.0 1.8 5.5 37 35 A 56 TRP HE1 A 51 TYR HE% 1.0 1.8 5.5 38 36 A 51 TYR H A 56 TRP HE3 1.0 1.8 5.0 39 37 A 51 TYR H A 56 TRP HZ3 1.0 1.8 5.0 40 38 A 52 LEU HBy A 54 ASP H 1.0 1.8 5.0 41 39 A 52 LEU HBx A 54 ASP H 1.0 1.8 5.0 42 40 A 52 LEU H A 55 GLY H 1.0 1.8 5.0 43 41 A 53 LYS HA A 55 GLY H 1.0 1.8 5.0 44 42 A 52 LEU H A 55 GLY H 1.0 1.8 5.0 45 43 A 52 LEU H A 56 TRP HA 1.0 1.8 5.0 46 44 A 55 GLY HA2 A 57 HIS HA 1.0 1.8 5.0 47 45 A 59 VAL HGx% A 63 SER HBx 1.0 1.8 5.5 48 46 A 59 VAL HGx% A 63 SER H 1.0 1.8 5.5 49 47 A 63 SER H A 61 SER HA 1.0 1.8 5.0 50 48 A 62 GLN HA A 66 ARG H 1.0 1.8 5.0 51 49 A 67 SER H A 62 GLN HB2 1.0 1.8 5.0 52 49 A 62 GLN HB3 A 67 SER H 1.0 1.8 5.0 53 50 A 71 TRP HA A 73 ASP H 1.0 1.8 5.0 54 51 A 71 TRP HBy A 73 ASP H 1.0 1.8 5.0 55 52 A 73 ASP HA A 75 SER H 1.0 1.8 5.0 56 53 A 77 ALA H A 75 SER HA 1.0 1.8 5.0 57 54 A 76 GLN HA A 78 SER H 1.0 1.8 5.0 58 55 A 80 VAL HGx% A 77 ALA HA 1.0 1.8 5.5 59 56 A 77 ALA HB% A 80 VAL HB 1.0 1.8 4.5 60 57 A 77 ALA HB% A 80 VAL HGx% 1.0 1.8 6.0 61 58 A 77 ALA HB% A 80 VAL HB 1.0 1.8 5.5 62 59 A 79 LYS H A 77 ALA HA 1.0 1.8 5.0 63 60 A 80 VAL H A 77 ALA HA 1.0 1.8 5.0 64 61 A 77 ALA HB% A 80 VAL H 1.0 1.8 5.5 65 62 A 81 CYS H A 78 SER HA 1.0 1.8 5.0 66 63 A 78 SER H A 80 VAL H 1.0 1.8 5.0 67 64 A 79 LYS HA A 82 GLN HB2 1.0 1.8 3.5 68 64 A 79 LYS HA A 82 GLN HB3 1.0 1.8 3.5 69 65 A 79 LYS HA A 82 GLN H 1.0 1.8 4.0 70 66 A 79 LYS HA A 83 ARG H 1.0 1.8 5.0 71 67 A 83 ARG H A 79 LYS HD2 1.0 1.8 5.0 72 67 A 79 LYS HD3 A 83 ARG H 1.0 1.8 5.0 73 68 A 80 VAL HA A 83 ARG HB2 1.0 1.8 5.0 74 68 A 80 VAL HA A 83 ARG HB3 1.0 1.8 5.0 75 69 A 80 VAL H A 82 GLN H 1.0 1.8 5.0 76 70 A 80 VAL HA A 83 ARG H 1.0 1.8 5.0 77 71 A 80 VAL HA A 84 LEU H 1.0 1.8 5.0 78 72 A 81 CYS HA A 84 LEU HB2 1.0 1.8 5.0 79 72 A 84 LEU HB3 A 81 CYS HA 1.0 1.8 5.0 80 73 A 84 LEU HDx% A 81 CYS HA 1.0 1.8 5.5 81 74 A 86 CYS HBy A 81 CYS HA 1.0 1.8 5.0 82 75 A 86 CYS HBx A 81 CYS HA 1.0 1.8 5.0 83 76 A 81 CYS HBy A 86 CYS HBy 1.0 1.8 5.0 84 77 A 81 CYS HBx A 86 CYS HBy 1.0 1.8 5.0 85 78 A 81 CYS HBx A 86 CYS HBx 1.0 1.8 5.0 86 79 A 84 LEU H A 81 CYS HA 1.0 1.8 5.0 87 80 A 82 GLN HA A 85 ASN H 1.0 1.8 5.0 88 81 A 82 GLN HA A 86 CYS H 1.0 1.8 5.0 89 82 A 83 ARG HA A 85 ASN H 1.0 1.8 5.0 90 83 A 86 CYS HBy A 84 LEU HB2 1.0 1.8 5.5 91 83 A 84 LEU HB3 A 86 CYS HBy 1.0 1.8 5.5 92 84 A 86 CYS H A 84 LEU HB2 1.0 1.8 5.0 93 84 A 84 LEU HB3 A 86 CYS H 1.0 1.8 5.0 94 85 A 84 LEU H A 86 CYS H 1.0 1.8 5.0 95 86 A 104 SER H A 101 PRO HD2 1.0 1.8 5.0 96 86 A 104 SER H A 101 PRO HD3 1.0 1.8 5.0 97 87 A 106 ILE HG2% A 108 TYR HE% 1.0 1.8 6.0 98 88 A 113 SER HBy A 110 GLN HB2 1.0 1.8 5.0 99 88 A 110 GLN HB3 A 113 SER HBy 1.0 1.8 5.0 100 89 A 113 SER HBx A 110 GLN HB2 1.0 1.8 5.0 101 89 A 110 GLN HB3 A 113 SER HBx 1.0 1.8 5.0 102 90 A 110 GLN H A 113 SER HBy 1.0 1.8 5.0 103 91 A 111 LEU HDx% A 114 PHE HE% 1.0 1.8 5.5 104 92 A 111 LEU HDy% A 114 PHE HE% 1.0 1.8 6.0 105 93 A 111 LEU H A 113 SER H 1.0 1.8 5.0 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 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 30 ASP H A 27 SER O 1.0 1.8 2.3 2 2 A 27 SER O A 30 ASP N 1.0 2.8 3.3 3 3 A 33 PHE H A 30 ASP O 1.0 1.8 2.3 4 4 A 30 ASP O A 33 PHE N 1.0 2.8 3.3 5 5 A 51 TYR H A 34 GLN O 1.0 1.8 2.3 6 6 A 34 GLN O A 51 TYR N 1.0 2.8 3.3 7 7 A 36 ARG H A 49 GLU O 1.0 1.8 2.3 8 8 A 49 GLU O A 36 ARG N 1.0 2.8 3.3 9 9 A 46 GLY H A 130 LEU O 1.0 1.8 2.3 10 10 A 130 LEU O A 46 GLY N 1.0 2.8 3.3 11 11 A 132 CYS H A 44 CYS O 1.0 1.8 2.3 12 12 A 44 CYS O A 132 CYS N 1.0 2.8 3.3 13 13 A 50 VAL H A 57 HIS O 1.0 1.8 2.3 14 14 A 57 HIS O A 50 VAL N 1.0 2.8 3.3 15 15 A 105 ILE H A 58 MET O 1.0 1.8 2.3 16 16 A 58 MET O A 105 ILE N 1.0 2.8 3.3 17 17 A 65 GLY H A 63 SER O 1.0 1.8 2.3 18 18 A 63 SER O A 65 GLY N 1.0 2.8 3.3 19 19 A 77 ALA H A 75 SER O 1.0 1.8 2.3 20 20 A 75 SER O A 77 ALA N 1.0 2.8 3.3 21 21 A 80 VAL H A 77 ALA O 1.0 1.8 2.3 22 22 A 77 ALA O A 80 VAL N 1.0 2.8 3.3 23 23 A 86 CYS H A 81 CYS O 1.0 1.8 2.3 24 24 A 81 CYS O A 86 CYS N 1.0 2.8 3.3 25 25 A 85 ASN H A 82 GLN O 1.0 1.8 2.3 26 26 A 82 GLN O A 85 ASN N 1.0 2.8 3.3 27 27 A 91 SER H A 131 THR O 1.0 1.8 2.3 28 28 A 131 THR O A 91 SER N 1.0 2.8 3.3 29 29 A 93 GLY H A 129 GLY O 1.0 1.8 2.3 30 30 A 129 GLY O A 93 GLY N 1.0 2.8 3.3 31 31 A 113 SER H A 110 GLN O 1.0 1.8 2.3 32 32 A 110 GLN O A 113 SER N 1.0 2.8 3.3 33 33 A 134 GLU H A 132 CYS O 1.0 1.8 2.3 34 34 A 132 CYS O A 134 GLU N 1.0 2.8 3.3 35 35 A 81 CYS H A 77 ALA O 1.0 1.8 2.3 36 36 A 77 ALA O A 81 CYS N 1.0 2.8 3.3 37 37 A 84 LEU H A 81 CYS O 1.0 1.8 2.3 38 38 A 81 CYS O A 84 LEU N 1.0 2.8 3.3 39 39 A 84 LEU H A 80 VAL O 1.0 1.8 2.3 40 40 A 84 LEU N A 80 VAL O 1.0 2.8 3.3 41 41 A 106 ILE H A 118 SER O 1.0 1.8 2.3 42 42 A 118 SER O A 106 ILE N 1.0 2.8 3.3 43 43 A 114 PHE H A 26 LEU O 1.0 1.8 2.3 44 44 A 26 LEU O A 114 PHE N 1.0 2.8 3.3 45 45 A 129 GLY H A 93 GLY O 1.0 1.8 2.3 46 46 A 93 GLY O A 129 GLY N 1.0 2.8 3.3 47 47 A 45 GLN H A 42 SER O 1.0 1.8 2.3 48 48 A 42 SER O A 45 GLN N 1.0 2.8 3.3 49 49 A 55 GLY H A 52 LEU O 1.0 1.8 2.3 50 50 A 52 LEU O A 55 GLY N 1.0 2.8 3.3 51 51 A 57 HIS H A 50 VAL O 1.0 1.8 2.3 52 52 A 50 VAL O A 57 HIS N 1.0 2.8 3.3 53 53 A 95 PHE H A 127 SER O 1.0 1.8 2.3 54 54 A 127 SER O A 95 PHE N 1.0 2.8 3.3 55 55 A 115 SER H A 113 SER O 1.0 1.8 2.3 56 56 A 113 SER O A 115 SER N 1.0 2.8 3.3 57 57 A 38 THR H A 47 GLN O 1.0 1.8 2.3 58 58 A 47 GLN O A 38 THR N 1.0 2.8 3.3 59 59 A 49 GLU H A 36 ARG O 1.0 1.8 2.3 60 60 A 36 ARG O A 49 GLU N 1.0 2.8 3.3 61 61 A 59 VAL H A 48 LEU O 1.0 1.8 2.3 62 62 A 48 LEU O A 59 VAL N 1.0 2.8 3.3 63 63 A 104 SER H A 100 THR O 1.0 1.8 2.3 64 64 A 100 THR O A 104 SER N 1.0 2.8 3.3 65 65 A 131 THR H A 91 SER O 1.0 1.8 2.3 66 66 A 91 SER O A 131 THR N 1.0 2.8 3.3 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 26 LEU C A 27 SER N A 27 SER CA A 27 SER C 1.0 -144.0 -76.0 PHI 2 2 A 32 ASP C A 33 PHE N A 33 PHE CA A 33 PHE C 1.0 -111.0 -39.0 PHI 3 3 A 33 PHE C A 34 GLN N A 34 GLN CA A 34 GLN C 1.0 -161.0 -61.0 PHI 4 4 A 34 GLN C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -161.0 -89.0 PHI 5 5 A 35 ALA C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -176.0 -132.0 PHI 6 6 A 36 ARG C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -133.0 -85.0 PHI 7 7 A 44 CYS C A 45 GLN N A 45 GLN CA A 45 GLN C 1.0 -158.0 -110.0 PHI 8 8 A 45 GLN C A 46 GLY N A 46 GLY CA A 46 GLY C 1.0 120.0 188.0 PHI 9 9 A 46 GLY C A 47 GLN N A 47 GLN CA A 47 GLN C 1.0 -129.0 -61.0 PHI 10 10 A 47 GLN C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -120.0 -68.0 PHI 11 11 A 48 LEU C A 49 GLU N A 49 GLU CA A 49 GLU C 1.0 -165.0 -101.0 PHI 12 12 A 49 GLU C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -153.0 -105.0 PHI 13 13 A 57 HIS C A 58 MET N A 58 MET CA A 58 MET C 1.0 -124.0 -64.0 PHI 14 14 A 58 MET C A 59 VAL N A 59 VAL CA A 59 VAL C 1.0 -169.0 -77.0 PHI 15 15 A 77 ALA C A 78 SER N A 78 SER CA A 78 SER C 1.0 -76.0 -48.0 PHI 16 16 A 78 SER C A 79 LYS N A 79 LYS CA A 79 LYS C 1.0 -80.0 -52.0 PHI 17 17 A 79 LYS C A 80 VAL N A 80 VAL CA A 80 VAL C 1.0 -74.0 -54.0 PHI 18 18 A 80 VAL C A 81 CYS N A 81 CYS CA A 81 CYS C 1.0 -79.0 -49.0 PHI 19 19 A 81 CYS C A 82 GLN N A 82 GLN CA A 82 GLN C 1.0 -88.0 -48.0 PHI 20 20 A 82 GLN C A 83 ARG N A 83 ARG CA A 83 ARG C 1.0 -77.0 -53.0 PHI 21 21 A 83 ARG C A 84 LEU N A 84 LEU CA A 84 LEU C 1.0 -124.0 -64.0 PHI 22 22 A 87 GLY C A 88 ASP N A 88 ASP CA A 88 ASP C 1.0 -152.0 -80.0 PHI 23 23 A 90 LEU C A 91 SER N A 91 SER CA A 91 SER C 1.0 -185.0 -61.0 PHI 24 24 A 91 SER C A 92 LEU N A 92 LEU CA A 92 LEU C 1.0 -159.0 -87.0 PHI 25 25 A 96 LEU C A 97 LYS N A 97 LYS CA A 97 LYS C 1.0 -160.0 -68.0 PHI 26 26 A 99 TYR C A 100 THR N A 100 THR CA A 100 THR C 1.0 -147.0 -47.0 PHI 27 27 A 103 SER C A 104 SER N A 104 SER CA A 104 SER C 1.0 -119.0 -71.0 PHI 28 28 A 105 ILE C A 106 ILE N A 106 ILE CA A 106 ILE C 1.0 -184.0 -72.0 PHI 29 29 A 106 ILE C A 107 CYS N A 107 CYS CA A 107 CYS C 1.0 -124.0 -84.0 PHI 30 30 A 108 TYR C A 109 GLY N A 109 GLY CA A 109 GLY C 1.0 98.0 138.0 PHI 31 31 A 109 GLY C A 110 GLN N A 110 GLN CA A 110 GLN C 1.0 -120.0 -76.0 PHI 32 32 A 117 CYS C A 118 SER N A 118 SER CA A 118 SER C 1.0 -159.0 -35.0 PHI 33 33 A 120 SER C A 121 ARG N A 121 ARG CA A 121 ARG C 1.0 -119.0 -55.0 PHI 34 34 A 127 SER C A 128 LEU N A 128 LEU CA A 128 LEU C 1.0 -129.0 -49.0 PHI 35 35 A 129 GLY C A 130 LEU N A 130 LEU CA A 130 LEU C 1.0 -154.0 -90.0 PHI 36 36 A 130 LEU C A 131 THR N A 131 THR CA A 131 THR C 1.0 -157.0 -69.0 PHI 37 37 A 27 SER N A 27 SER CA A 27 SER C A 28 TRP N 1.0 129.0 181.0 PSI 38 38 A 33 PHE N A 33 PHE CA A 33 PHE C A 34 GLN N 1.0 110.0 150.0 PSI 39 39 A 34 GLN N A 34 GLN CA A 34 GLN C A 35 ALA N 1.0 117.0 157.0 PSI 40 40 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 ARG N 1.0 138.0 166.0 PSI 41 41 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 LEU N 1.0 144.0 180.0 PSI 42 42 A 37 LEU N A 37 LEU CA A 37 LEU C A 38 THR N 1.0 109.0 165.0 PSI 43 43 A 45 GLN N A 45 GLN CA A 45 GLN C A 46 GLY N 1.0 127.0 179.0 PSI 44 44 A 46 GLY N A 46 GLY CA A 46 GLY C A 47 GLN N 1.0 113.0 177.0 PSI 45 45 A 47 GLN N A 47 GLN CA A 47 GLN C A 48 LEU N 1.0 95.0 159.0 PSI 46 46 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 GLU N 1.0 108.0 152.0 PSI 47 47 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 VAL N 1.0 111.0 187.0 PSI 48 48 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 TYR N 1.0 117.0 169.0 PSI 49 49 A 58 MET N A 58 MET CA A 58 MET C A 59 VAL N 1.0 100.0 156.0 PSI 50 50 A 59 VAL N A 59 VAL CA A 59 VAL C A 60 CYS N 1.0 103.0 187.0 PSI 51 51 A 78 SER N A 78 SER CA A 78 SER C A 79 LYS N 1.0 -46.0 -14.0 PSI 52 52 A 79 LYS N A 79 LYS CA A 79 LYS C A 80 VAL N 1.0 -55.0 -15.0 PSI 53 53 A 80 VAL N A 80 VAL CA A 80 VAL C A 81 CYS N 1.0 -60.0 -40.0 PSI 54 54 A 81 CYS N A 81 CYS CA A 81 CYS C A 82 GLN N 1.0 -41.0 -17.0 PSI 55 55 A 82 GLN N A 82 GLN CA A 82 GLN C A 83 ARG N 1.0 -55.0 -27.0 PSI 56 56 A 83 ARG N A 83 ARG CA A 83 ARG C A 84 LEU N 1.0 -52.0 -12.0 PSI 57 57 A 84 LEU N A 84 LEU CA A 84 LEU C A 85 ASN N 1.0 -23.0 21.0 PSI 58 58 A 88 ASP N A 88 ASP CA A 88 ASP C A 89 PRO N 1.0 110.0 186.0 PSI 59 59 A 91 SER N A 91 SER CA A 91 SER C A 92 LEU N 1.0 121.0 173.0 PSI 60 60 A 92 LEU N A 92 LEU CA A 92 LEU C A 93 GLY N 1.0 121.0 161.0 PSI 61 61 A 97 LYS N A 97 LYS CA A 97 LYS C A 98 THR N 1.0 100.0 176.0 PSI 62 62 A 100 THR N A 100 THR CA A 100 THR C A 101 PRO N 1.0 81.0 193.0 PSI 63 63 A 104 SER N A 104 SER CA A 104 SER C A 105 ILE N 1.0 118.0 194.0 PSI 64 64 A 106 ILE N A 106 ILE CA A 106 ILE C A 107 CYS N 1.0 97.0 177.0 PSI 65 65 A 110 GLN N A 110 GLN CA A 110 GLN C A 111 LEU N 1.0 115.0 183.0 PSI 66 66 A 118 SER N A 118 SER CA A 118 SER C A 119 HIS N 1.0 116.0 180.0 PSI 67 67 A 121 ARG N A 121 ARG CA A 121 ARG C A 122 ASN N 1.0 -80.0 32.0 PSI 68 68 A 128 LEU N A 128 LEU CA A 128 LEU C A 129 GLY N 1.0 81.0 137.0 PSI 69 69 A 130 LEU N A 130 LEU CA A 130 LEU C A 131 THR N 1.0 97.0 177.0 PSI 70 70 A 131 THR N A 131 THR CA A 131 THR C A 132 CYS N 1.0 97.0 193.0 PSI 71 71 A 28 TRP N A 28 TRP CA A 28 TRP CB A 28 TRP CG 1.0 30.0 90.0 CHI1 72 72 A 29 TYR N A 29 TYR CA A 29 TYR CB A 29 TYR CG 1.0 30.0 90.0 CHI1 73 73 A 36 ARG N A 36 ARG CA A 36 ARG CB A 36 ARG CG 1.0 30.0 90.0 CHI1 74 74 A 37 LEU N A 37 LEU CA A 37 LEU CB A 37 LEU CG 1.0 -90.0 -30.0 CHI1 75 75 A 48 LEU N A 48 LEU CA A 48 LEU CB A 48 LEU CG 1.0 150.0 210.0 CHI1 76 76 A 51 TYR N A 51 TYR CA A 51 TYR CB A 51 TYR CG 1.0 150.0 210.0 CHI1 77 77 A 52 LEU N A 52 LEU CA A 52 LEU CB A 52 LEU CG 1.0 30.0 90.0 CHI1 78 78 A 54 ASP N A 54 ASP CA A 54 ASP CB A 54 ASP CG 1.0 30.0 90.0 CHI1 79 79 A 57 HIS N A 57 HIS CA A 57 HIS CB A 57 HIS CG 1.0 -90.0 -30.0 CHI1 80 80 A 60 CYS N A 60 CYS CA A 60 CYS CB A 60 CYS SG 1.0 30.0 90.0 CHI1 81 81 A 66 ARG N A 66 ARG CA A 66 ARG CB A 66 ARG CG 1.0 -90.0 -30.0 CHI1 82 82 A 71 TRP N A 71 TRP CA A 71 TRP CB A 71 TRP CG 1.0 -90.0 -30.0 CHI1 83 83 A 73 ASP N A 73 ASP CA A 73 ASP CB A 73 ASP CG 1.0 150.0 210.0 CHI1 84 84 A 76 GLN N A 76 GLN CA A 76 GLN CB A 76 GLN CG 1.0 -90.0 -30.0 CHI1 85 85 A 81 CYS N A 81 CYS CA A 81 CYS CB A 81 CYS SG 1.0 -90.0 -30.0 CHI1 86 86 A 85 ASN N A 85 ASN CA A 85 ASN CB A 85 ASN CG 1.0 30.0 90.0 CHI1 87 87 A 88 ASP N A 88 ASP CA A 88 ASP CB A 88 ASP CG 1.0 -90.0 -30.0 CHI1 88 88 A 95 PHE N A 95 PHE CA A 95 PHE CB A 95 PHE CG 1.0 150.0 210.0 CHI1 89 89 A 107 CYS N A 107 CYS CA A 107 CYS CB A 107 CYS SG 1.0 -90.0 -30.0 CHI1 90 90 A 108 TYR N A 108 TYR CA A 108 TYR CB A 108 TYR CG 1.0 -90.0 -30.0 CHI1 91 91 A 125 CYS N A 125 CYS CA A 125 CYS CB A 125 CYS SG 1.0 30.0 90.0 CHI1 92 92 A 132 CYS N A 132 CYS CA A 132 CYS CB A 132 CYS SG 1.0 -90.0 -30.0 CHI1 93 93 A 134 GLU N A 134 GLU CA A 134 GLU CB A 134 GLU CG 1.0 30.0 90.0 CHI1 stop_ save_