data_nef_c27435_6e3c save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 C -2 GLY start . false 2 C -1 SER middle . . 3 C 0 HIS middle . . 4 C 1 MET middle . . 5 C 2 ALA middle . . 6 C 3 ASN middle . . 7 C 4 PRO middle . false 8 C 5 ASN middle . . 9 C 6 PHE middle . . 10 C 7 THR middle . . 11 C 8 PRO middle . false 12 C 9 SER middle . . 13 C 10 TRP middle . . 14 C 11 PRO middle . false 15 C 12 LEU middle . . 16 C 13 TYR middle . . 17 C 14 LYS middle . . 18 C 15 ASP middle . . 19 C 16 ALA middle . . 20 C 17 ASP middle . . 21 C 18 GLY middle . false 22 C 19 VAL middle . . 23 C 20 TYR middle . . 24 C 21 VAL middle . . 25 C 22 SER middle . . 26 C 23 ALA middle . . 27 C 24 LEU middle . . 28 C 25 PRO middle . false 29 C 26 ILE middle . . 30 C 27 LYS middle . . 31 C 28 ALA middle . . 32 C 29 ILE middle . . 33 C 30 LYS middle . . 34 C 31 TYR middle . . 35 C 32 ALA middle . . 36 C 33 ASN middle . . 37 C 34 ASP middle . . 38 C 35 GLY middle . false 39 C 36 SER middle . . 40 C 37 ALA middle . . 41 C 38 ASN middle . . 42 C 39 ALA middle . . 43 C 40 GLU middle . . 44 C 41 PHE middle . . 45 C 42 ASP middle . . 46 C 43 GLY middle . false 47 C 44 PRO middle . false 48 C 45 TYR middle . . 49 C 46 ALA middle . . 50 C 47 ASP middle . . 51 C 48 GLN middle . . 52 C 49 TYR middle . . 53 C 50 MET middle . . 54 C 51 SER middle . . 55 C 52 ALA middle . . 56 C 53 GLN middle . . 57 C 54 THR middle . . 58 C 55 VAL middle . . 59 C 56 ALA middle . . 60 C 57 VAL middle . . 61 C 58 PHE middle . . 62 C 59 LYS middle . . 63 C 60 PRO middle . false 64 C 61 GLU middle . . 65 C 62 VAL middle . . 66 C 63 GLY middle . false 67 C 64 GLY middle . false 68 C 65 TYR middle . . 69 C 66 LEU middle . . 70 C 67 PHE middle . . 71 C 68 ARG middle . . 72 C 69 SER middle . . 73 C 70 GLN middle . . 74 C 71 TYR middle . . 75 C 72 GLY middle . false 76 C 73 GLU middle . . 77 C 74 LEU middle . . 78 C 75 LEU middle . . 79 C 76 TYR middle . . 80 C 77 MET middle . . 81 C 78 SER middle . . 82 C 79 LYS middle . . 83 C 80 THR middle . . 84 C 81 ALA middle . . 85 C 82 PHE middle . . 86 C 83 GLU middle . . 87 C 84 ALA middle . . 88 C 85 ASN middle . . 89 C 86 TYR middle . . 90 C 87 THR middle . . 91 C 88 SER middle . . 92 C 89 ALA middle . . 93 C 90 SER middle . . 94 C 91 GLY middle . false 95 C 92 SER middle . . 96 C 93 VAL middle . . 97 C 94 ALA middle . . 98 C 95 ASN middle . . 99 C 96 ALA middle . . 100 C 97 GLU middle . . 101 C 98 THR middle . . 102 C 99 ALA middle . . 103 C 100 ASP middle . . 104 C 101 LYS middle . . 105 C 102 LEU middle . . 106 C 103 SER middle . . 107 C 104 THR middle . . 108 C 105 ALA middle . . 109 C 106 ARG middle . . 110 C 107 THR middle . . 111 C 108 ILE middle . . 112 C 109 THR middle . . 113 C 110 LEU middle . . 114 C 111 THR middle . . 115 C 112 GLY middle . false 116 C 113 ALA middle . . 117 C 114 VAL middle . . 118 C 115 THR middle . . 119 C 116 GLY middle . false 120 C 117 SER middle . . 121 C 118 ALA middle . . 122 C 119 SER middle . . 123 C 120 PHE middle . . 124 C 121 ASP middle . . 125 C 122 GLY middle . false 126 C 123 SER middle . . 127 C 124 ALA middle . . 128 C 125 ASN middle . . 129 C 126 VAL middle . . 130 C 127 THR middle . . 131 C 128 ILE middle . . 132 C 129 GLU middle . . 133 C 130 THR middle . . 134 C 131 THR middle . . 135 C 132 SER middle . . 136 C 133 GLY middle . false 137 C 134 SER 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 C -2 GLY HA2 H 1 4.323 0.000 C -2 GLY C C 13 174.200 0.000 C -2 GLY CA C 13 45.127 0.000 C -1 SER H H 1 8.161 0.005 C -1 SER HA H 1 4.418 0.010 C -1 SER HB2 H 1 3.871 0.009 C -1 SER C C 13 174.236 0.000 C -1 SER CA C 13 58.057 0.000 C -1 SER CB C 13 63.244 0.000 C -1 SER N N 15 115.499 0.009 C 0 HIS H H 1 8.615 0.005 C 0 HIS HA H 1 4.684 0.004 C 0 HIS HBx H 1 3.116 0.004 C 0 HIS HBy H 1 3.210 0.001 C 0 HIS HD2 H 1 7.310 0.000 C 0 HIS C C 13 174.240 0.000 C 0 HIS CA C 13 55.160 0.000 C 0 HIS CB C 13 28.529 0.000 C 0 HIS N N 15 120.244 0.059 C 1 MET H H 1 8.324 0.002 C 1 MET HA H 1 4.403 0.010 C 1 MET HBx H 1 1.910 0.005 C 1 MET HBy H 1 2.008 0.024 C 1 MET HGx H 1 2.477 0.021 C 1 MET HGy H 1 2.514 0.016 C 1 MET C C 13 175.618 0.000 C 1 MET CA C 13 55.305 0.000 C 1 MET CB C 13 32.502 0.000 C 1 MET CG C 13 31.944 0.000 C 1 MET N N 15 121.655 0.040 C 2 ALA H H 1 8.297 0.006 C 2 ALA HA H 1 4.258 0.007 C 2 ALA HB% H 1 1.348 0.038 C 2 ALA C C 13 177.068 0.000 C 2 ALA CA C 13 52.084 0.000 C 2 ALA CB C 13 18.582 0.000 C 2 ALA N N 15 125.140 0.000 C 3 ASN H H 1 8.291 0.002 C 3 ASN HA H 1 4.914 0.000 C 3 ASN HBy H 1 2.778 0.014 C 3 ASN HBx H 1 2.651 0.010 C 3 ASN HD21 H 1 7.559 0.002 C 3 ASN HD22 H 1 6.959 0.003 C 3 ASN C C 13 173.801 0.000 C 3 ASN CA C 13 50.826 0.000 C 3 ASN CB C 13 38.574 0.000 C 3 ASN N N 15 118.590 0.000 C 3 ASN ND2 N 15 112.503 0.007 C 4 PRO HA H 1 4.386 0.003 C 4 PRO HBy H 1 2.203 0.019 C 4 PRO HBx H 1 1.858 0.062 C 4 PRO HD2 H 1 3.766 0.000 C 4 PRO HGy H 1 1.950 0.032 C 4 PRO HGx H 1 1.906 0.012 C 4 PRO C C 13 176.703 0.000 C 4 PRO CA C 13 63.282 0.000 C 4 PRO CB C 13 31.482 0.000 C 4 PRO CD C 13 50.615 0.000 C 4 PRO CG C 13 27.090 0.000 C 5 ASN H H 1 8.266 0.002 C 5 ASN HA H 1 4.608 0.045 C 5 ASN HBy H 1 2.690 0.045 C 5 ASN HBx H 1 2.599 0.035 C 5 ASN HD21 H 1 7.495 0.005 C 5 ASN HD22 H 1 6.867 0.005 C 5 ASN C C 13 174.714 0.000 C 5 ASN CA C 13 53.032 0.000 C 5 ASN CB C 13 38.537 0.000 C 5 ASN N N 15 117.170 0.000 C 5 ASN ND2 N 15 112.742 0.044 C 6 PHE H H 1 7.886 0.015 C 6 PHE HA H 1 4.643 0.001 C 6 PHE HB2 H 1 3.004 0.000 C 6 PHE HB3 H 1 3.004 0.000 C 6 PHE C C 13 175.037 0.000 C 6 PHE CA C 13 57.090 0.000 C 6 PHE CB C 13 39.108 0.000 C 6 PHE N N 15 120.320 0.000 C 7 THR H H 1 8.006 0.003 C 7 THR HA H 1 4.488 0.000 C 7 THR HB H 1 4.530 0.000 C 7 THR HG2% H 1 1.674 0.052 C 7 THR C C 13 172.223 0.000 C 7 THR CA C 13 58.570 0.000 C 7 THR CB C 13 69.722 0.000 C 7 THR N N 15 120.010 0.000 C 8 PRO HA H 1 4.349 0.005 C 8 PRO C C 13 176.772 0.000 C 8 PRO CA C 13 62.717 0.000 C 8 PRO CB C 13 31.512 0.000 C 9 SER H H 1 8.380 0.004 C 9 SER HA H 1 4.507 0.023 C 9 SER HB2 H 1 3.900 0.023 C 9 SER C C 13 174.363 0.000 C 9 SER CA C 13 57.828 0.000 C 9 SER CB C 13 63.440 0.000 C 9 SER N N 15 115.973 0.000 C 10 TRP H H 1 8.309 0.002 C 10 TRP HA H 1 5.649 0.002 C 10 TRP HBy H 1 3.930 0.000 C 10 TRP HBx H 1 2.903 0.000 C 10 TRP HD1 H 1 6.836 0.009 C 10 TRP HE1 H 1 10.283 0.000 C 10 TRP HE3 H 1 7.111 0.000 C 10 TRP HH2 H 1 7.333 0.000 C 10 TRP HZ2 H 1 7.420 0.000 C 10 TRP HZ3 H 1 7.221 0.000 C 10 TRP C C 13 173.691 0.000 C 10 TRP CA C 13 53.870 0.000 C 10 TRP CB C 13 28.010 0.000 C 10 TRP N N 15 124.500 0.000 C 10 TRP NE1 N 15 128.150 0.000 C 11 PRO HA H 1 4.388 0.009 C 11 PRO C C 13 174.704 0.000 C 11 PRO CA C 13 63.514 0.000 C 11 PRO CB C 13 32.070 0.000 C 12 LEU H H 1 7.917 0.003 C 12 LEU HA H 1 5.125 0.039 C 12 LEU HBy H 1 1.495 0.000 C 12 LEU HBx H 1 1.451 0.001 C 12 LEU HDx% H 1 0.833 0.035 C 12 LEU HDy% H 1 0.321 0.000 C 12 LEU HG H 1 0.962 0.041 C 12 LEU C C 13 177.724 0.000 C 12 LEU CA C 13 54.283 0.000 C 12 LEU CB C 13 44.357 0.000 C 12 LEU CDx C 13 17.706 0.000 C 12 LEU CDy C 13 21.095 0.000 C 12 LEU CG C 13 27.609 0.000 C 12 LEU N N 15 119.190 0.000 C 13 TYR H H 1 9.502 0.024 C 13 TYR HA H 1 5.001 0.045 C 13 TYR HB2 H 1 2.358 0.061 C 13 TYR HD1 H 1 6.964 0.125 C 13 TYR HD2 H 1 6.964 0.125 C 13 TYR HE1 H 1 6.851 0.035 C 13 TYR HE2 H 1 6.851 0.035 C 13 TYR C C 13 173.711 0.000 C 13 TYR CA C 13 56.574 0.000 C 13 TYR CB C 13 42.775 0.000 C 13 TYR N N 15 121.620 0.000 C 14 LYS H H 1 9.199 0.001 C 14 LYS HA H 1 5.537 0.015 C 14 LYS HB2 H 1 1.112 0.007 C 14 LYS C C 13 176.384 0.000 C 14 LYS CA C 13 53.745 0.000 C 14 LYS CB C 13 35.289 0.000 C 14 LYS N N 15 116.230 0.000 C 15 ASP H H 1 8.347 0.002 C 15 ASP HA H 1 4.833 0.024 C 15 ASP HBy H 1 2.874 0.030 C 15 ASP HBx H 1 2.672 0.000 C 15 ASP C C 13 178.117 0.000 C 15 ASP CA C 13 51.019 0.000 C 15 ASP CB C 13 40.346 0.000 C 15 ASP N N 15 122.520 0.000 C 16 ALA H H 1 8.463 0.002 C 16 ALA HA H 1 3.969 0.003 C 16 ALA HB% H 1 1.283 0.006 C 16 ALA C C 13 178.639 0.000 C 16 ALA CA C 13 54.075 0.000 C 16 ALA CB C 13 17.514 0.000 C 16 ALA N N 15 120.510 0.000 C 17 ASP H H 1 7.853 0.008 C 17 ASP HA H 1 4.715 0.002 C 17 ASP HBy H 1 3.208 0.000 C 17 ASP HBx H 1 2.742 0.019 C 17 ASP C C 13 175.856 0.000 C 17 ASP CA C 13 52.999 0.000 C 17 ASP CB C 13 39.465 0.000 C 17 ASP N N 15 115.110 0.000 C 18 GLY H H 1 8.011 0.005 C 18 GLY HAy H 1 4.119 0.000 C 18 GLY HAx H 1 3.300 0.007 C 18 GLY C C 13 173.279 0.000 C 18 GLY CA C 13 45.400 0.000 C 18 GLY N N 15 107.890 0.000 C 19 VAL H H 1 8.036 0.003 C 19 VAL HB H 1 2.174 0.085 C 19 VAL HG1% H 1 1.382 0.063 C 19 VAL HG2% H 1 0.908 0.004 C 19 VAL C C 13 175.633 0.000 C 19 VAL CA C 13 62.728 0.000 C 19 VAL CB C 13 31.062 0.000 C 19 VAL N N 15 123.037 0.000 C 20 TYR H H 1 8.477 0.000 C 20 TYR HA H 1 4.877 0.000 C 20 TYR HBy H 1 3.092 0.072 C 20 TYR HBx H 1 2.755 0.040 C 20 TYR HD1 H 1 6.733 0.000 C 20 TYR HD2 H 1 6.733 0.000 C 20 TYR HE1 H 1 6.965 0.032 C 20 TYR HE2 H 1 6.965 0.032 C 20 TYR C C 13 174.254 0.000 C 20 TYR CA C 13 53.001 0.000 C 20 TYR CB C 13 38.557 0.000 C 20 TYR N N 15 118.632 0.000 C 21 VAL H H 1 8.929 0.022 C 21 VAL HA H 1 3.940 0.000 C 21 VAL HB H 1 2.091 0.000 C 21 VAL C C 13 175.507 0.000 C 21 VAL CA C 13 58.957 0.000 C 21 VAL CB C 13 31.824 0.000 C 21 VAL N N 15 131.17 0.000 C 22 SER H H 1 8.008 0.004 C 22 SER HA H 1 4.226 0.000 C 22 SER HBx H 1 3.900 0.057 C 22 SER HBy H 1 4.083 0.000 C 22 SER C C 13 172.042 0.000 C 22 SER CA C 13 58.186 0.000 C 22 SER CB C 13 63.306 0.000 C 22 SER N N 15 115.330 0.000 C 23 ALA H H 1 8.648 0.009 C 23 ALA HA H 1 4.875 0.027 C 23 ALA HB% H 1 0.704 0.005 C 23 ALA C C 13 174.730 0.000 C 23 ALA CA C 13 50.836 0.000 C 23 ALA CB C 13 23.306 0.000 C 23 ALA N N 15 117.637 0.000 C 24 LEU H H 1 8.249 0.023 C 24 LEU HA H 1 5.88 0.065 C 24 LEU HBy H 1 1.236 0.003 C 24 LEU HBx H 1 1.119 0.000 C 24 LEU HDx% H 1 -0.046 0.036 C 24 LEU HDy% H 1 -1.922 0.004 C 24 LEU HG H 1 1.495 0.001 C 24 LEU C C 13 174.546 0.000 C 24 LEU CA C 13 56.077 0.000 C 24 LEU CB C 13 41.336 0.000 C 24 LEU CDx C 13 22.726 0.000 C 24 LEU CDy C 13 23.694 0.000 C 24 LEU CG C 13 27.077 0.000 C 24 LEU N N 15 115.997 0.026 C 25 PRO HA H 1 4.611 0.056 C 25 PRO HD2 H 1 4.104 0.020 C 25 PRO C C 13 175.497 0.000 C 25 PRO CA C 13 61.717 0.000 C 25 PRO CB C 13 32.027 0.000 C 26 ILE H H 1 8.751 0.003 C 26 ILE HA H 1 4.746 0.079 C 26 ILE HB H 1 1.158 0.076 C 26 ILE HD1% H 1 0.134 0.069 C 26 ILE HG12 H 1 1.723 0.018 C 26 ILE HG2% H 1 0.558 0.004 C 26 ILE C C 13 177.234 0.000 C 26 ILE CA C 13 60.027 0.000 C 26 ILE CB C 13 38.645 0.000 C 26 ILE CD1 C 13 12.267 0.000 C 26 ILE CG1 C 13 26.815 0.000 C 26 ILE CG2 C 13 21.639 0.000 C 26 ILE N N 15 118.035 0.000 C 27 LYS H H 1 9.022 0.003 C 27 LYS HA H 1 4.300 0.010 C 27 LYS HBy H 1 1.846 0.022 C 27 LYS HBx H 1 1.785 0.000 C 27 LYS HDy H 1 1.746 0.000 C 27 LYS HDx H 1 1.583 0.049 C 27 LYS HEx H 1 2.962 0.048 C 27 LYS HEy H 1 2.969 0.056 C 27 LYS HGx H 1 1.465 0.042 C 27 LYS HGy H 1 1.468 0.042 C 27 LYS C C 13 175.011 0.000 C 27 LYS CA C 13 57.024 0.000 C 27 LYS CB C 13 31.996 0.000 C 27 LYS CD C 13 29.103 0.000 C 27 LYS CE C 13 42.378 0.000 C 27 LYS CG C 13 25.296 0.000 C 27 LYS N N 15 130.93 0.000 C 28 ALA H H 1 7.549 0.002 C 28 ALA HA H 1 4.307 0.000 C 28 ALA HB% H 1 1.178 0.005 C 28 ALA C C 13 173.937 0.000 C 28 ALA CA C 13 51.131 0.000 C 28 ALA CB C 13 20.963 0.000 C 28 ALA N N 15 118.284 0.000 C 29 ILE H H 1 8.382 0.002 C 29 ILE HA H 1 4.309 0.002 C 29 ILE HB H 1 1.847 0.000 C 29 ILE HD1% H 1 0.877 0.000 C 29 ILE HG1x H 1 1.133 0.049 C 29 ILE HG1y H 1 1.501 0.035 C 29 ILE HG2% H 1 0.955 0.035 C 29 ILE C C 13 173.804 0.000 C 29 ILE CA C 13 60.234 0.000 C 29 ILE CB C 13 40.384 0.000 C 29 ILE CD1 C 13 12.811 0.000 C 29 ILE CG2 C 13 21.514 0.000 C 29 ILE N N 15 118.780 0.000 C 30 LYS H H 1 8.271 0.001 C 30 LYS HA H 1 4.605 0.036 C 30 LYS HBx H 1 1.676 0.010 C 30 LYS HBy H 1 1.773 0.000 C 30 LYS HE2 H 1 2.988 0.091 C 30 LYS C C 13 176.393 0.000 C 30 LYS CA C 13 53.395 0.000 C 30 LYS CB C 13 32.810 0.000 C 30 LYS CE C 13 41.639 0.000 C 30 LYS N N 15 126.720 0.000 C 31 TYR H H 1 8.958 0.003 C 31 TYR HA H 1 4.605 0.017 C 31 TYR HBx H 1 2.730 0.000 C 31 TYR HBy H 1 2.852 0.000 C 31 TYR HD1 H 1 7.066 0.007 C 31 TYR HD2 H 1 7.066 0.007 C 31 TYR HE1 H 1 6.549 0.012 C 31 TYR HE2 H 1 6.549 0.012 C 31 TYR C C 13 175.795 0.000 C 31 TYR CA C 13 59.062 0.000 C 31 TYR CB C 13 38.954 0.000 C 31 TYR N N 15 127.120 0.000 C 32 ALA H H 1 8.661 0.002 C 32 ALA HA H 1 4.752 0.016 C 32 ALA HB% H 1 1.500 0.017 C 32 ALA C C 13 179.610 0.000 C 32 ALA CA C 13 50.148 0.000 C 32 ALA CB C 13 20.841 0.000 C 32 ALA N N 15 125.270 0.000 C 33 ASN H H 1 8.814 0.001 C 33 ASN HA H 1 4.547 0.069 C 33 ASN HBx H 1 2.878 0.018 C 33 ASN HBy H 1 3.113 0.000 C 33 ASN HD21 H 1 7.580 0.003 C 33 ASN HD22 H 1 6.905 0.005 C 33 ASN C C 13 175.579 0.000 C 33 ASN CA C 13 55.139 0.000 C 33 ASN CB C 13 37.541 0.000 C 33 ASN N N 15 118.840 0.000 C 33 ASN ND2 N 15 111.801 0.034 C 34 ASP H H 1 7.787 0.003 C 34 ASP HA H 1 4.593 0.000 C 34 ASP HBx H 1 2.591 0.019 C 34 ASP HBy H 1 2.755 0.002 C 34 ASP C C 13 176.758 0.000 C 34 ASP CA C 13 52.954 0.000 C 34 ASP CB C 13 39.441 0.000 C 34 ASP N N 15 116.186 0.000 C 35 GLY H H 1 7.876 0.003 C 35 GLY HAy H 1 4.420 0.034 C 35 GLY HAx H 1 3.833 0.061 C 35 GLY C C 13 174.734 0.000 C 35 GLY CA C 13 45.223 0.000 C 35 GLY N N 15 108.060 0.000 C 36 SER H H 1 8.620 0.007 C 36 SER HA H 1 5.447 0.056 C 36 SER HB2 H 1 3.234 0.010 C 36 SER C C 13 173.079 0.000 C 36 SER CA C 13 59.533 0.000 C 36 SER N N 15 112.255 0.102 C 37 ALA H H 1 9.431 0.029 C 37 ALA HA H 1 4.892 0.059 C 37 ALA HB% H 1 1.533 0.000 C 37 ALA C C 13 173.872 0.000 C 37 ALA CA C 13 50.753 0.000 C 37 ALA CB C 13 21.418 0.000 C 37 ALA N N 15 126.577 0.000 C 38 ASN H H 1 8.242 0.013 C 38 ASN HA H 1 5.211 0.042 C 38 ASN HBx H 1 2.147 0.020 C 38 ASN HBy H 1 2.396 0.029 C 38 ASN HD21 H 1 7.212 0.005 C 38 ASN HD22 H 1 6.719 0.009 C 38 ASN C C 13 174.549 0.000 C 38 ASN CA C 13 51.639 0.000 C 38 ASN CB C 13 37.195 0.000 C 38 ASN N N 15 116.004 0.015 C 38 ASN ND2 N 15 110.766 0.011 C 39 ALA H H 1 8.906 0.018 C 39 ALA HA H 1 4.448 0.065 C 39 ALA HB% H 1 1.125 0.079 C 39 ALA C C 13 174.663 0.000 C 39 ALA CA C 13 52.589 0.000 C 39 ALA CB C 13 19.448 0.000 C 39 ALA N N 15 125.732 0.021 C 40 GLU H H 1 8.370 0.004 C 40 GLU HA H 1 4.862 0.000 C 40 GLU HB2 H 1 1.827 0.015 C 40 GLU HB3 H 1 1.827 0.015 C 40 GLU C C 13 174.780 0.000 C 40 GLU CA C 13 52.807 0.000 C 40 GLU CB C 13 30.539 0.000 C 40 GLU N N 15 124.891 0.172 C 41 PHE H H 1 8.916 0.003 C 41 PHE HA H 1 4.239 0.058 C 41 PHE HBx H 1 2.512 0.010 C 41 PHE HBy H 1 3.226 0.023 C 41 PHE HD1 H 1 7.109 0.000 C 41 PHE HD2 H 1 7.109 0.000 C 41 PHE C C 13 175.225 0.000 C 41 PHE CA C 13 56.082 0.000 C 41 PHE CB C 13 42.748 0.000 C 41 PHE N N 15 121.020 0.000 C 42 ASP H H 1 9.042 0.003 C 42 ASP HA H 1 4.869 0.010 C 42 ASP HBx H 1 2.815 0.002 C 42 ASP HBy H 1 2.936 0.022 C 42 ASP C C 13 176.254 0.000 C 42 ASP CA C 13 53.850 0.000 C 42 ASP CB C 13 41.315 0.000 C 42 ASP N N 15 119.877 0.000 C 43 GLY H H 1 8.186 0.003 C 43 GLY HAy H 1 4.475 0.000 C 43 GLY HAx H 1 3.816 0.048 C 43 GLY C C 13 173.620 0.000 C 43 GLY CA C 13 44.124 0.000 C 43 GLY N N 15 108.706 0.016 C 44 PRO HA H 1 4.572 0.000 C 44 PRO HBy H 1 1.741 0.000 C 44 PRO HBx H 1 1.675 0.000 C 44 PRO HD2 H 1 3.078 0.000 C 44 PRO HGy H 1 1.326 0.000 C 44 PRO HGx H 1 1.260 0.000 C 44 PRO C C 13 174.874 0.000 C 44 PRO CA C 13 62.641 0.000 C 44 PRO CB C 13 28.970 0.000 C 44 PRO CG C 13 24.451 0.000 C 45 TYR H H 1 7.459 0.002 C 45 TYR HA H 1 4.561 0.031 C 45 TYR HBy H 1 2.378 0.000 C 45 TYR HBx H 1 2.296 0.000 C 45 TYR HD1 H 1 7.077 0.015 C 45 TYR HD2 H 1 7.077 0.015 C 45 TYR HE1 H 1 6.858 0.035 C 45 TYR HE2 H 1 6.858 0.035 C 45 TYR C C 13 175.674 0.000 C 45 TYR CA C 13 56.657 0.000 C 45 TYR CB C 13 40.421 0.000 C 45 TYR N N 15 120.290 0.000 C 46 ALA H H 1 8.509 0.000 C 46 ALA HA H 1 4.346 0.020 C 46 ALA HB% H 1 1.546 0.011 C 46 ALA C C 13 177.075 0.000 C 46 ALA CA C 13 51.532 0.000 C 46 ALA CB C 13 18.934 0.000 C 46 ALA N N 15 127.230 0.000 C 47 ASP H H 1 8.374 0.005 C 47 ASP HA H 1 4.701 0.036 C 47 ASP HB2 H 1 2.579 0.000 C 47 ASP HB3 H 1 2.579 0.000 C 47 ASP C C 13 176.070 0.000 C 47 ASP CA C 13 53.801 0.000 C 47 ASP CB C 13 39.517 0.000 C 47 ASP N N 15 117.612 0.000 C 48 GLN H H 1 8.730 0.003 C 48 GLN HA H 1 4.934 0.026 C 48 GLN HB2 H 1 2.162 0.026 C 48 GLN HE21 H 1 6.971 0.002 C 48 GLN HE22 H 1 6.880 0.002 C 48 GLN HG2 H 1 2.557 0.038 C 48 GLN C C 13 174.198 0.000 C 48 GLN CA C 13 56.331 0.000 C 48 GLN CB C 13 31.979 0.000 C 48 GLN CG C 13 33.364 0.000 C 48 GLN N N 15 120.374 0.105 C 48 GLN NE2 N 15 114.104 0.062 C 49 TYR H H 1 8.069 0.003 C 49 TYR HA H 1 4.406 0.069 C 49 TYR HBy H 1 1.704 0.000 C 49 TYR HBx H 1 1.652 0.000 C 49 TYR C C 13 177.838 0.000 C 49 TYR CA C 13 55.030 0.000 C 49 TYR CB C 13 41.328 0.000 C 49 TYR N N 15 121.463 0.000 C 50 MET H H 1 8.167 0.003 C 50 MET HA H 1 4.287 0.024 C 50 MET C C 13 172.844 0.000 C 50 MET CA C 13 58.154 0.000 C 50 MET CB C 13 29.618 0.000 C 50 MET N N 15 115.880 0.000 C 51 SER H H 1 8.554 0.003 C 51 SER HA H 1 4.424 0.001 C 51 SER HBy H 1 4.091 0.030 C 51 SER HBx H 1 3.906 0.018 C 51 SER C C 13 173.517 0.000 C 51 SER CA C 13 56.986 0.000 C 51 SER CB C 13 64.202 0.000 C 51 SER N N 15 117.637 0.000 C 52 ALA H H 1 8.957 0.002 C 52 ALA HA H 1 4.570 0.000 C 52 ALA HB% H 1 1.369 0.005 C 52 ALA C C 13 170.941 0.000 C 52 ALA CA C 13 54.858 0.000 C 52 ALA CB C 13 17.097 0.000 C 52 ALA N N 15 122.080 0.000 C 53 GLN H H 1 8.258 0.006 C 53 GLN HA H 1 4.107 0.049 C 53 GLN HBy H 1 2.148 0.000 C 53 GLN HBx H 1 2.029 0.060 C 53 GLN HE21 H 1 7.396 0.001 C 53 GLN HE22 H 1 6.820 0.003 C 53 GLN HG2 H 1 2.382 0.026 C 53 GLN C C 13 177.638 0.000 C 53 GLN CA C 13 58.600 0.000 C 53 GLN CB C 13 27.396 0.000 C 53 GLN CG C 13 33.564 0.000 C 53 GLN N N 15 116.693 0.000 C 53 GLN NE2 N 15 111.577 0.030 C 54 THR H H 1 7.640 0.005 C 54 THR HA H 1 3.639 0.023 C 54 THR HB H 1 4.101 0.004 C 54 THR HG2% H 1 0.863 0.000 C 54 THR C C 13 176.145 0.000 C 54 THR CA C 13 66.048 0.000 C 54 THR CB C 13 67.502 0.000 C 54 THR N N 15 118.870 0.000 C 55 VAL H H 1 8.403 0.005 C 55 VAL HA H 1 3.144 0.000 C 55 VAL HB H 1 2.101 0.004 C 55 VAL HGx% H 1 0.862 0.025 C 55 VAL HGy% H 1 0.135 0.089 C 55 VAL C C 13 178.466 0.000 C 55 VAL CA C 13 66.770 0.000 C 55 VAL CB C 13 31.114 0.000 C 55 VAL CGx C 13 18.375 0.000 C 55 VAL CGy C 13 21.609 0.000 C 55 VAL N N 15 121.160 0.000 C 56 ALA H H 1 7.725 0.003 C 56 ALA HA H 1 4.079 0.032 C 56 ALA HB% H 1 1.440 0.000 C 56 ALA C C 13 179.384 0.000 C 56 ALA CA C 13 54.390 0.000 C 56 ALA CB C 13 17.588 0.000 C 56 ALA N N 15 120.520 0.000 C 57 VAL H H 1 7.618 0.007 C 57 VAL HA H 1 3.802 0.000 C 57 VAL HB H 1 1.842 0.000 C 57 VAL HGx% H 1 0.956 0.039 C 57 VAL HGy% H 1 0.655 0.018 C 57 VAL C C 13 178.307 0.000 C 57 VAL CA C 13 64.303 0.000 C 57 VAL CB C 13 31.599 0.000 C 57 VAL CGx C 13 20.459 0.000 C 57 VAL CGy C 13 22.091 0.000 C 57 VAL N N 15 115.140 0.000 C 58 PHE H H 1 8.224 0.007 C 58 PHE HA H 1 4.570 0.006 C 58 PHE HBx H 1 2.745 0.031 C 58 PHE HBy H 1 3.446 0.000 C 58 PHE C C 13 175.351 0.000 C 58 PHE CA C 13 57.639 0.000 C 58 PHE CB C 13 38.560 0.000 C 58 PHE N N 15 116.750 0.000 C 59 LYS H H 1 8.174 0.005 C 59 LYS HA H 1 3.911 0.000 C 59 LYS HBx H 1 1.940 0.000 C 59 LYS HBy H 1 2.125 0.000 C 59 LYS HGx H 1 1.294 0.000 C 59 LYS HGy H 1 1.674 0.000 C 59 LYS C C 13 173.360 0.000 C 59 LYS CA C 13 55.843 0.000 C 59 LYS CB C 13 29.305 0.000 C 59 LYS N N 15 112.283 0.000 C 60 PRO C C 13 175.203 0.000 C 60 PRO CA C 13 62.236 0.000 C 60 PRO CB C 13 31.581 0.000 C 61 GLU H H 1 7.270 0.001 C 61 GLU HA H 1 4.550 0.017 C 61 GLU HB2 H 1 1.820 0.036 C 61 GLU HG2 H 1 2.386 0.065 C 61 GLU C C 13 175.705 0.000 C 61 GLU CA C 13 52.951 0.000 C 61 GLU CB C 13 32.493 0.000 C 61 GLU N N 15 115.053 0.000 C 62 VAL H H 1 8.461 0.007 C 62 VAL HA H 1 3.170 0.018 C 62 VAL HB H 1 2.072 0.003 C 62 VAL HG1% H 1 0.898 0.012 C 62 VAL C C 13 177.488 0.000 C 62 VAL CA C 13 65.183 0.000 C 62 VAL CB C 13 30.781 0.000 C 62 VAL N N 15 120.930 0.000 C 63 GLY H H 1 8.925 0.006 C 63 GLY HAx H 1 3.422 0.008 C 63 GLY HAy H 1 4.349 0.013 C 63 GLY C C 13 174.393 0.000 C 63 GLY CA C 13 44.559 0.000 C 63 GLY N N 15 117.505 0.013 C 64 GLY H H 1 7.899 0.003 C 64 GLY HAx H 1 4.193 0.032 C 64 GLY HAy H 1 4.262 0.021 C 64 GLY C C 13 170.972 0.000 C 64 GLY CA C 13 44.117 0.000 C 64 GLY N N 15 103.953 0.000 C 65 TYR H H 1 8.412 0.004 C 65 TYR HA H 1 4.702 0.004 C 65 TYR HBx H 1 2.552 0.000 C 65 TYR HBy H 1 3.613 0.047 C 65 TYR HD1 H 1 6.092 0.040 C 65 TYR HD2 H 1 6.092 0.040 C 65 TYR HE1 H 1 5.836 0.054 C 65 TYR HE2 H 1 5.836 0.054 C 65 TYR C C 13 175.946 0.000 C 65 TYR CA C 13 57.214 0.000 C 65 TYR CB C 13 39.033 0.000 C 65 TYR N N 15 115.282 0.127 C 66 LEU H H 1 7.995 0.018 C 66 LEU HA H 1 5.236 0.058 C 66 LEU HBx H 1 1.635 0.014 C 66 LEU HBy H 1 1.795 0.000 C 66 LEU HDx% H 1 1.088 0.066 C 66 LEU HDy% H 1 0.967 0.000 C 66 LEU C C 13 175.779 0.000 C 66 LEU CA C 13 58.665 0.000 C 66 LEU CB C 13 45.032 0.000 C 66 LEU N N 15 120.333 0.169 C 67 PHE H H 1 8.936 0.005 C 67 PHE HA H 1 5.977 0.042 C 67 PHE HBx H 1 2.118 0.000 C 67 PHE HBy H 1 3.823 0.042 C 67 PHE HD1 H 1 6.596 0.021 C 67 PHE HD2 H 1 6.596 0.021 C 67 PHE C C 13 172.668 0.000 C 67 PHE CA C 13 55.267 0.000 C 67 PHE CB C 13 41.986 0.000 C 67 PHE N N 15 116.140 0.000 C 68 ARG H H 1 9.195 0.002 C 68 ARG HA H 1 5.394 0.034 C 68 ARG HBy H 1 2.139 0.000 C 68 ARG HBx H 1 2.008 0.062 C 68 ARG HD2 H 1 3.200 0.000 C 68 ARG HGx H 1 1.769 0.000 C 68 ARG HGy H 1 1.930 0.051 C 68 ARG C C 13 177.715 0.000 C 68 ARG CA C 13 52.895 0.000 C 68 ARG CB C 13 31.990 0.000 C 68 ARG CD C 13 43.551 0.000 C 68 ARG CG C 13 30.336 0.000 C 68 ARG N N 15 117.753 0.000 C 69 SER H H 1 8.749 0.003 C 69 SER HA H 1 4.813 0.007 C 69 SER HBy H 1 4.061 0.082 C 69 SER HBx H 1 4.056 0.067 C 69 SER C C 13 176.189 0.000 C 69 SER CA C 13 56.351 0.000 C 69 SER CB C 13 65.497 0.000 C 69 SER N N 15 118.080 0.000 C 70 GLN H H 1 9.487 0.002 C 70 GLN HA H 1 3.996 0.017 C 70 GLN HB2 H 1 1.860 0.000 C 70 GLN HE21 H 1 6.407 0.000 C 70 GLN HE22 H 1 6.305 0.001 C 70 GLN C C 13 175.947 0.000 C 70 GLN CA C 13 57.674 0.000 C 70 GLN CB C 13 27.568 0.000 C 70 GLN N N 15 120.271 0.029 C 70 GLN NE2 N 15 112.743 0.028 C 71 TYR H H 1 7.599 0.008 C 71 TYR HA H 1 4.704 0.020 C 71 TYR HB2 H 1 2.665 0.000 C 71 TYR HB3 H 1 2.665 0.000 C 71 TYR C C 13 176.353 0.000 C 71 TYR CA C 13 56.664 0.000 C 71 TYR CB C 13 37.297 0.000 C 71 TYR N N 15 116.268 0.087 C 72 GLY H H 1 7.912 0.006 C 72 GLY HAy H 1 4.036 0.000 C 72 GLY HAx H 1 3.366 0.038 C 72 GLY C C 13 174.076 0.000 C 72 GLY CA C 13 45.026 0.000 C 72 GLY N N 15 107.904 0.111 C 73 GLU H H 1 7.392 0.009 C 73 GLU HA H 1 4.224 0.000 C 73 GLU HBy H 1 1.931 0.000 C 73 GLU HBx H 1 1.914 0.022 C 73 GLU HGx H 1 2.279 0.000 C 73 GLU HGy H 1 2.407 0.000 C 73 GLU C C 13 174.703 0.000 C 73 GLU CA C 13 55.459 0.000 C 73 GLU CB C 13 29.659 0.000 C 73 GLU CG C 13 34.193 0.000 C 73 GLU N N 15 120.750 0.000 C 74 LEU H H 1 8.405 0.022 C 74 LEU HA H 1 4.588 0.058 C 74 LEU HBy H 1 1.991 0.000 C 74 LEU HBx H 1 1.876 0.000 C 74 LEU HDx% H 1 0.489 0.063 C 74 LEU HDy% H 1 1.176 0.029 C 74 LEU HG H 1 1.493 0.061 C 74 LEU C C 13 174.396 0.000 C 74 LEU CA C 13 54.396 0.000 C 74 LEU CB C 13 41.969 0.000 C 74 LEU CD1 C 13 25.446 0.000 C 74 LEU CG C 13 28.782 0.000 C 74 LEU N N 15 126.100 0.000 C 75 LEU H H 1 9.005 0.001 C 75 LEU HA H 1 4.233 0.001 C 75 LEU HB2 H 1 1.343 0.038 C 75 LEU HDx% H 1 1.403 0.014 C 75 LEU HDy% H 1 0.737 0.005 C 75 LEU HG H 1 1.388 0.001 C 75 LEU C C 13 173.073 0.000 C 75 LEU CA C 13 53.221 0.000 C 75 LEU CB C 13 44.522 0.000 C 75 LEU CD1 C 13 19.213 0.000 C 75 LEU CG C 13 25.179 0.000 C 75 LEU N N 15 128.807 0.000 C 76 TYR H H 1 6.076 0.048 C 76 TYR HA H 1 5.493 0.036 C 76 TYR HBy H 1 3.111 0.000 C 76 TYR HBx H 1 2.800 0.011 C 76 TYR HD1 H 1 6.838 0.000 C 76 TYR HD2 H 1 6.838 0.000 C 76 TYR C C 13 175.025 0.000 C 76 TYR CA C 13 55.337 0.000 C 76 TYR CB C 13 41.662 0.000 C 76 TYR N N 15 115.560 0.098 C 77 MET H H 1 8.193 0.003 C 77 MET HA H 1 4.223 0.067 C 77 MET HBx H 1 2.440 0.000 C 77 MET HBy H 1 2.463 0.000 C 77 MET HE% H 1 2.099 0.020 C 77 MET C C 13 172.571 0.000 C 77 MET CA C 13 54.889 0.000 C 77 MET CB C 13 38.547 0.000 C 77 MET N N 15 127.440 0.000 C 78 SER H H 1 8.449 0.003 C 78 SER HA H 1 4.469 0.000 C 78 SER HBy H 1 3.903 0.000 C 78 SER HBx H 1 3.854 0.000 C 78 SER C C 13 173.168 0.000 C 78 SER CA C 13 57.358 0.000 C 78 SER CB C 13 63.931 0.000 C 78 SER N N 15 116.690 0.000 C 79 LYS H H 1 8.989 0.003 C 79 LYS HA H 1 4.279 0.000 C 79 LYS HBy H 1 2.037 0.065 C 79 LYS HBx H 1 1.973 0.077 C 79 LYS HGx H 1 1.108 0.000 C 79 LYS HGy H 1 1.734 0.008 C 79 LYS C C 13 178.359 0.000 C 79 LYS CA C 13 60.555 0.000 C 79 LYS CB C 13 32.088 0.000 C 79 LYS CG C 13 27.247 0.000 C 79 LYS N N 15 121.540 0.000 C 80 THR H H 1 8.080 0.008 C 80 THR HA H 1 3.940 0.000 C 80 THR HB H 1 4.057 0.002 C 80 THR HG2% H 1 1.239 0.004 C 80 THR C C 13 177.335 0.000 C 80 THR CA C 13 64.701 0.000 C 80 THR CB C 13 68.192 0.000 C 80 THR N N 15 108.410 0.000 C 81 ALA H H 1 7.486 0.004 C 81 ALA HA H 1 4.082 0.011 C 81 ALA HB% H 1 1.408 0.007 C 81 ALA C C 13 179.705 0.000 C 81 ALA CA C 13 54.295 0.000 C 81 ALA CB C 13 17.602 0.000 C 81 ALA N N 15 124.120 0.000 C 82 PHE H H 1 8.926 0.006 C 82 PHE HA H 1 4.904 0.004 C 82 PHE HBx H 1 2.478 0.006 C 82 PHE HBy H 1 2.870 0.000 C 82 PHE C C 13 178.112 0.000 C 82 PHE CA C 13 62.282 0.000 C 82 PHE N N 15 120.357 0.042 C 83 GLU H H 1 8.101 0.002 C 83 GLU HA H 1 3.958 0.000 C 83 GLU HB2 H 1 2.278 0.000 C 83 GLU HB3 H 1 2.278 0.000 C 83 GLU HGy H 1 2.620 0.000 C 83 GLU HGx H 1 2.472 0.002 C 83 GLU C C 13 177.691 0.000 C 83 GLU CA C 13 57.449 0.000 C 83 GLU CB C 13 27.778 0.000 C 83 GLU CG C 13 34.568 0.000 C 83 GLU N N 15 114.163 0.000 C 84 ALA H H 1 7.235 0.002 C 84 ALA HA H 1 4.223 0.000 C 84 ALA HB% H 1 1.357 0.001 C 84 ALA C C 13 178.301 0.000 C 84 ALA CA C 13 52.869 0.000 C 84 ALA CB C 13 18.452 0.000 C 84 ALA N N 15 117.940 0.000 C 85 ASN H H 1 7.136 0.002 C 85 ASN HA H 1 4.452 0.039 C 85 ASN HBy H 1 2.215 0.052 C 85 ASN HBx H 1 1.843 0.003 C 85 ASN HD21 H 1 7.565 0.072 C 85 ASN HD22 H 1 6.836 0.009 C 85 ASN C C 13 173.898 0.000 C 85 ASN CA C 13 54.170 0.000 C 85 ASN CB C 13 42.195 0.000 C 85 ASN N N 15 114.470 0.000 C 85 ASN ND2 N 15 112.296 0.038 C 86 TYR H H 1 7.823 0.006 C 86 TYR HA H 1 4.497 0.025 C 86 TYR HB2 H 1 3.171 0.030 C 86 TYR HD1 H 1 6.838 0.005 C 86 TYR HD2 H 1 6.838 0.005 C 86 TYR HE1 H 1 5.982 0.042 C 86 TYR HE2 H 1 5.982 0.042 C 86 TYR C C 13 174.861 0.000 C 86 TYR CA C 13 57.214 0.000 C 86 TYR CB C 13 39.621 0.000 C 86 TYR N N 15 117.490 0.000 C 87 THR H H 1 8.581 0.003 C 87 THR HA H 1 4.642 0.000 C 87 THR HB H 1 4.483 0.000 C 87 THR HG2% H 1 1.141 0.026 C 87 THR C C 13 174.279 0.000 C 87 THR CA C 13 59.895 0.000 C 87 THR CB C 13 71.165 0.000 C 87 THR CG2 C 13 21.430 0.000 C 87 THR N N 15 113.180 0.000 C 88 SER H H 1 8.946 0.003 C 88 SER HA H 1 5.007 0.039 C 88 SER HBx H 1 3.674 0.004 C 88 SER HBy H 1 3.812 0.000 C 88 SER C C 13 175.006 0.000 C 88 SER CA C 13 59.492 0.000 C 88 SER CB C 13 62.763 0.000 C 88 SER N N 15 119.783 0.000 C 89 ALA H H 1 8.297 0.005 C 89 ALA HA H 1 4.484 0.008 C 89 ALA HB% H 1 1.257 0.000 C 89 ALA C C 13 176.868 0.000 C 89 ALA CA C 13 51.450 0.000 C 89 ALA CB C 13 19.144 0.000 C 89 ALA N N 15 128.480 0.000 C 90 SER H H 1 8.016 0.006 C 90 SER HA H 1 4.435 0.000 C 90 SER HB2 H 1 3.863 0.000 C 90 SER HB3 H 1 3.863 0.000 C 90 SER C C 13 175.015 0.000 C 90 SER CA C 13 58.124 0.000 C 90 SER CB C 13 63.251 0.000 C 90 SER N N 15 114.160 0.000 C 91 GLY H H 1 8.316 0.002 C 91 GLY HA2 H 1 3.974 0.008 C 91 GLY C C 13 174.212 0.000 C 91 GLY CA C 13 45.018 0.000 C 91 GLY N N 15 110.173 0.051 C 92 SER H H 1 8.149 0.000 C 92 SER HA H 1 4.466 0.000 C 92 SER HBy H 1 3.918 0.000 C 92 SER HBx H 1 3.854 0.000 C 92 SER C C 13 174.690 0.000 C 92 SER CA C 13 58.130 0.000 C 92 SER CB C 13 63.246 0.000 C 92 SER N N 15 115.570 0.000 C 93 VAL H H 1 8.046 0.002 C 93 VAL HA H 1 4.113 0.024 C 93 VAL HB H 1 2.049 0.000 C 93 VAL HGx% H 1 0.862 0.000 C 93 VAL HGy% H 1 0.693 0.000 C 93 VAL C C 13 176.126 0.000 C 93 VAL CA C 13 61.966 0.000 C 93 VAL CB C 13 32.012 0.000 C 93 VAL CGx C 13 21.025 0.000 C 93 VAL CGy C 13 21.087 0.000 C 93 VAL N N 15 121.250 0.000 C 94 ALA H H 1 8.224 0.001 C 94 ALA HA H 1 4.232 0.000 C 94 ALA HB% H 1 1.314 0.001 C 94 ALA C C 13 177.666 0.000 C 94 ALA CA C 13 52.386 0.000 C 94 ALA CB C 13 18.497 0.000 C 94 ALA N N 15 126.510 0.000 C 95 ASN H H 1 8.199 0.002 C 95 ASN HA H 1 4.643 0.029 C 95 ASN HB2 H 1 2.783 0.004 C 95 ASN HB3 H 1 2.783 0.004 C 95 ASN HD21 H 1 7.556 0.039 C 95 ASN HD22 H 1 6.857 0.047 C 95 ASN C C 13 175.178 0.000 C 95 ASN CA C 13 52.979 0.000 C 95 ASN CB C 13 38.518 0.000 C 95 ASN N N 15 117.400 0.000 C 95 ASN ND2 N 15 111.418 0.176 C 96 ALA H H 1 8.164 0.001 C 96 ALA HA H 1 4.228 0.000 C 96 ALA HB% H 1 1.360 0.000 C 96 ALA C C 13 178.005 0.000 C 96 ALA CA C 13 52.603 0.000 C 96 ALA CB C 13 18.493 0.000 C 96 ALA N N 15 123.800 0.000 C 97 GLU H H 1 8.271 0.001 C 97 GLU HA H 1 4.390 0.000 C 97 GLU HBy H 1 2.003 0.000 C 97 GLU HBx H 1 1.904 0.000 C 97 GLU HGx H 1 2.394 0.012 C 97 GLU HGy H 1 2.407 0.020 C 97 GLU C C 13 176.758 0.000 C 97 GLU CA C 13 56.060 0.000 C 97 GLU CB C 13 28.467 0.000 C 97 GLU CG C 13 33.773 0.000 C 97 GLU N N 15 118.560 0.000 C 98 THR H H 1 7.939 0.001 C 98 THR HA H 1 4.258 0.000 C 98 THR HB H 1 3.548 0.000 C 98 THR HG2% H 1 0.915 0.000 C 98 THR C C 13 174.750 0.000 C 98 THR CA C 13 61.636 0.000 C 98 THR CB C 13 69.313 0.000 C 98 THR CG2 C 13 21.139 0.000 C 98 THR N N 15 113.940 0.000 C 99 ALA H H 1 8.179 0.001 C 99 ALA HA H 1 4.246 0.011 C 99 ALA HB% H 1 1.369 0.000 C 99 ALA C C 13 177.836 0.000 C 99 ALA CA C 13 52.795 0.000 C 99 ALA CB C 13 18.494 0.000 C 99 ALA N N 15 125.200 0.000 C 100 ASP H H 1 8.228 0.000 C 100 ASP HA H 1 4.543 0.000 C 100 ASP HB2 H 1 2.727 0.003 C 100 ASP HB3 H 1 2.727 0.003 C 100 ASP C C 13 176.133 0.000 C 100 ASP CA C 13 53.909 0.000 C 100 ASP CB C 13 39.214 0.000 C 100 ASP N N 15 117.960 0.000 C 101 LYS H H 1 8.065 0.003 C 101 LYS HA H 1 4.247 0.000 C 101 LYS HBx H 1 1.762 0.014 C 101 LYS HBy H 1 1.804 0.028 C 101 LYS HD2 H 1 1.675 0.000 C 101 LYS HE2 H 1 3.001 0.000 C 101 LYS HG2 H 1 1.455 0.039 C 101 LYS C C 13 176.223 0.000 C 101 LYS CA C 13 56.284 0.000 C 101 LYS CB C 13 31.941 0.000 C 101 LYS CD C 13 28.856 0.000 C 101 LYS CE C 13 41.973 0.000 C 101 LYS CG C 13 24.984 0.000 C 101 LYS N N 15 120.779 0.002 C 102 LEU H H 1 8.165 0.000 C 102 LEU HA H 1 4.262 0.000 C 102 LEU C C 13 177.796 0.000 C 102 LEU CA C 13 55.014 0.000 C 102 LEU CB C 13 41.350 0.000 C 102 LEU N N 15 115.526 0.000 C 103 SER H H 1 8.015 0.002 C 103 SER HA H 1 4.455 0.026 C 103 SER HB2 H 1 3.878 0.029 C 103 SER HB3 H 1 3.878 0.029 C 103 SER C C 13 175.190 0.000 C 103 SER CA C 13 58.477 0.000 C 103 SER CB C 13 63.024 0.000 C 103 SER N N 15 114.180 0.000 C 104 THR H H 1 8.010 0.005 C 104 THR HA H 1 4.269 0.011 C 104 THR HB H 1 4.134 0.000 C 104 THR HG2% H 1 1.237 0.020 C 104 THR C C 13 174.543 0.000 C 104 THR CA C 13 61.458 0.000 C 104 THR CB C 13 69.306 0.000 C 104 THR CG2 C 13 21.204 0.000 C 104 THR N N 15 115.003 0.000 C 105 ALA H H 1 8.092 0.000 C 105 ALA HA H 1 4.286 0.005 C 105 ALA HB% H 1 1.346 0.000 C 105 ALA C C 13 177.792 0.000 C 105 ALA CA C 13 52.511 0.000 C 105 ALA CB C 13 18.608 0.000 C 105 ALA N N 15 125.590 0.000 C 106 ARG H H 1 8.158 0.005 C 106 ARG HA H 1 4.348 0.000 C 106 ARG HBx H 1 1.791 0.000 C 106 ARG HBy H 1 1.839 0.000 C 106 ARG HD2 H 1 3.208 0.000 C 106 ARG HD3 H 1 3.208 0.000 C 106 ARG HGy H 1 1.668 0.000 C 106 ARG HGx H 1 1.612 0.025 C 106 ARG C C 13 176.543 0.000 C 106 ARG CA C 13 55.789 0.000 C 106 ARG CB C 13 30.148 0.000 C 106 ARG CD C 13 43.315 0.000 C 106 ARG CG C 13 27.133 0.000 C 106 ARG N N 15 119.730 0.000 C 107 THR H H 1 8.090 0.001 C 107 THR HA H 1 4.282 0.000 C 107 THR HB H 1 4.134 0.000 C 107 THR HG2% H 1 0.919 0.000 C 107 THR C C 13 174.538 0.000 C 107 THR CA C 13 61.832 0.000 C 107 THR CB C 13 69.307 0.000 C 107 THR CG2 C 13 20.506 0.000 C 107 THR N N 15 115.660 0.000 C 108 ILE H H 1 8.145 0.000 C 108 ILE HA H 1 4.200 0.029 C 108 ILE HB H 1 1.836 0.000 C 108 ILE HD1% H 1 0.794 0.000 C 108 ILE HG12 H 1 0.918 0.000 C 108 ILE C C 13 176.255 0.000 C 108 ILE CA C 13 60.914 0.000 C 108 ILE CB C 13 38.067 0.000 C 108 ILE CD1 C 13 13.742 0.000 C 108 ILE CG1 C 13 28.321 0.000 C 108 ILE CG2 C 13 18.510 0.000 C 108 ILE N N 15 123.300 0.000 C 109 THR H H 1 8.168 0.000 C 109 THR HA H 1 4.319 0.000 C 109 THR HB H 1 4.075 0.037 C 109 THR HG2% H 1 1.260 0.000 C 109 THR C C 13 174.530 0.000 C 109 THR CA C 13 61.290 0.000 C 109 THR CB C 13 69.350 0.000 C 109 THR N N 15 118.660 0.000 C 110 LEU H H 1 8.311 0.006 C 110 LEU HA H 1 4.425 0.000 C 110 LEU HBy H 1 1.682 0.000 C 110 LEU HBx H 1 1.624 0.012 C 110 LEU HDx% H 1 0.919 0.000 C 110 LEU HDy% H 1 0.859 0.000 C 110 LEU HG H 1 1.638 0.001 C 110 LEU C C 13 177.522 0.000 C 110 LEU CA C 13 54.850 0.000 C 110 LEU CB C 13 42.418 0.000 C 110 LEU CDy C 13 25.105 0.000 C 110 LEU CDx C 13 23.339 0.000 C 110 LEU CG C 13 27.217 0.000 C 110 LEU N N 15 124.702 0.231 C 111 THR H H 1 8.024 0.000 C 111 THR HA H 1 4.323 0.000 C 111 THR HB H 1 4.235 0.000 C 111 THR HG2% H 1 1.196 0.000 C 111 THR C C 13 175.163 0.000 C 111 THR CA C 13 61.472 0.000 C 111 THR CB C 13 69.340 0.000 C 111 THR CG2 C 13 21.212 0.000 C 111 THR N N 15 113.800 0.000 C 112 GLY H H 1 8.272 0.001 C 112 GLY HAx H 1 3.928 0.008 C 112 GLY HAy H 1 3.936 0.000 C 112 GLY C C 13 173.777 0.000 C 112 GLY CA C 13 45.026 0.000 C 112 GLY N N 15 110.800 0.000 C 113 ALA H H 1 8.025 0.010 C 113 ALA HA H 1 4.362 0.028 C 113 ALA HB% H 1 1.348 0.000 C 113 ALA C C 13 177.886 0.000 C 113 ALA CA C 13 52.082 0.000 C 113 ALA CB C 13 18.784 0.000 C 113 ALA N N 15 123.188 0.107 C 114 VAL H H 1 8.108 0.000 C 114 VAL HA H 1 4.231 0.000 C 114 VAL HB H 1 2.120 0.000 C 114 VAL HGx% H 1 0.962 0.000 C 114 VAL HGy% H 1 0.932 0.000 C 114 VAL C C 13 176.581 0.000 C 114 VAL CA C 13 61.860 0.000 C 114 VAL CB C 13 32.003 0.000 C 114 VAL CGx C 13 21.139 0.000 C 114 VAL CGy C 13 21.247 0.000 C 114 VAL N N 15 118.930 0.000 C 115 THR H H 1 8.135 0.000 C 115 THR HA H 1 4.330 0.000 C 115 THR HB H 1 4.235 0.000 C 115 THR HG2% H 1 1.196 0.000 C 115 THR C C 13 175.175 0.000 C 115 THR CA C 13 61.438 0.000 C 115 THR CB C 13 69.516 0.000 C 115 THR CG2 C 13 21.368 0.000 C 115 THR N N 15 117.056 0.000 C 116 GLY H H 1 8.321 0.002 C 116 GLY HA2 H 1 3.996 0.000 C 116 GLY HA3 H 1 3.996 0.000 C 116 GLY C C 13 173.923 0.000 C 116 GLY CA C 13 43.158 0.000 C 116 GLY N N 15 110.883 0.066 C 117 SER H H 1 8.560 0.001 C 117 SER HA H 1 4.674 0.000 C 117 SER HBy H 1 4.480 0.000 C 117 SER HBx H 1 3.860 0.000 C 117 SER C C 13 174.375 0.000 C 117 SER CA C 13 57.776 0.000 C 117 SER CB C 13 63.333 0.000 C 117 SER N N 15 115.027 0.000 C 118 ALA H H 1 8.309 0.000 C 118 ALA HA H 1 4.316 0.000 C 118 ALA HB% H 1 1.321 0.000 C 118 ALA C C 13 177.675 0.000 C 118 ALA CA C 13 52.392 0.000 C 118 ALA CB C 13 18.499 0.000 C 118 ALA N N 15 125.640 0.000 C 119 SER H H 1 8.079 0.001 C 119 SER HA H 1 4.376 0.000 C 119 SER HB2 H 1 3.701 0.000 C 119 SER HB3 H 1 3.701 0.000 C 119 SER C C 13 174.377 0.000 C 119 SER CA C 13 57.886 0.000 C 119 SER CB C 13 63.250 0.000 C 119 SER N N 15 113.963 0.000 C 120 PHE H H 1 8.135 0.001 C 120 PHE HA H 1 4.673 0.000 C 120 PHE HBx H 1 3.113 0.000 C 120 PHE HBy H 1 3.118 0.000 C 120 PHE HD1 H 1 7.268 0.003 C 120 PHE HD2 H 1 7.268 0.003 C 120 PHE C C 13 175.624 0.000 C 120 PHE CA C 13 57.430 0.000 C 120 PHE CB C 13 39.006 0.000 C 120 PHE N N 15 121.687 0.113 C 121 ASP H H 1 8.242 0.000 C 121 ASP HA H 1 4.618 0.000 C 121 ASP HBx H 1 2.741 0.000 C 121 ASP HBy H 1 2.764 0.000 C 121 ASP C C 13 176.113 0.000 C 121 ASP CA C 13 53.220 0.000 C 121 ASP CB C 13 39.460 0.000 C 121 ASP N N 15 121.563 0.000 C 122 GLY H H 1 7.880 0.001 C 122 GLY HA2 H 1 3.891 0.000 C 122 GLY HA3 H 1 3.891 0.000 C 122 GLY C C 13 174.551 0.000 C 122 GLY CA C 13 45.487 0.000 C 122 GLY N N 15 108.933 0.000 C 123 SER H H 1 8.109 0.000 C 123 SER HA H 1 4.389 0.000 C 123 SER HBx H 1 3.860 0.000 C 123 SER HBy H 1 3.925 0.000 C 123 SER C C 13 174.421 0.000 C 123 SER CA C 13 58.161 0.000 C 123 SER CB C 13 63.249 0.000 C 123 SER N N 15 115.698 0.000 C 124 ALA H H 1 8.177 0.000 C 124 ALA HA H 1 4.326 0.000 C 124 ALA HB% H 1 1.351 0.007 C 124 ALA C C 13 177.379 0.000 C 124 ALA CA C 13 52.277 0.000 C 124 ALA CB C 13 18.553 0.000 C 124 ALA N N 15 124.890 0.000 C 125 ASN H H 1 8.230 0.008 C 125 ASN HA H 1 4.724 0.000 C 125 ASN HBy H 1 2.784 0.000 C 125 ASN HBx H 1 2.694 0.020 C 125 ASN HD21 H 1 7.300 0.010 C 125 ASN HD22 H 1 6.906 0.000 C 125 ASN C C 13 175.136 0.000 C 125 ASN CA C 13 52.996 0.000 C 125 ASN CB C 13 38.526 0.000 C 125 ASN N N 15 117.490 0.000 C 125 ASN ND2 N 15 111.877 0.057 C 126 VAL H H 1 7.962 0.000 C 126 VAL HA H 1 4.240 0.000 C 126 VAL HB H 1 2.125 0.000 C 126 VAL HGx% H 1 0.943 0.000 C 126 VAL HGy% H 1 0.871 0.006 C 126 VAL C C 13 176.267 0.000 C 126 VAL CA C 13 61.803 0.000 C 126 VAL CB C 13 32.060 0.000 C 126 VAL CGy C 13 25.064 0.000 C 126 VAL CGx C 13 21.895 0.000 C 126 VAL N N 15 119.807 0.000 C 127 THR H H 1 8.249 0.006 C 127 THR HA H 1 4.350 0.024 C 127 THR HB H 1 4.159 0.000 C 127 THR HG2% H 1 1.196 0.003 C 127 THR C C 13 174.403 0.000 C 127 THR CA C 13 61.577 0.000 C 127 THR CB C 13 69.334 0.000 C 127 THR CG2 C 13 21.724 0.000 C 127 THR N N 15 118.460 0.000 C 128 ILE H H 1 8.118 0.000 C 128 ILE HA H 1 4.229 0.000 C 128 ILE HB H 1 1.879 0.000 C 128 ILE HD1% H 1 0.844 0.000 C 128 ILE HG1y H 1 1.464 0.000 C 128 ILE HG1x H 1 1.169 0.000 C 128 ILE HG2% H 1 0.895 0.000 C 128 ILE C C 13 176.136 0.000 C 128 ILE CA C 13 60.547 0.000 C 128 ILE CB C 13 38.070 0.000 C 128 ILE CD1 C 13 13.024 0.000 C 128 ILE CG1 C 13 27.311 0.000 C 128 ILE CG2 C 13 17.536 0.000 C 128 ILE N N 15 123.173 0.000 C 129 GLU H H 1 8.379 0.002 C 129 GLU HA H 1 4.429 0.000 C 129 GLU HBy H 1 2.142 0.000 C 129 GLU HBx H 1 2.000 0.000 C 129 GLU HG2 H 1 2.435 0.000 C 129 GLU C C 13 176.262 0.000 C 129 GLU CA C 13 55.516 0.000 C 129 GLU CB C 13 28.722 0.000 C 129 GLU CG C 13 33.743 0.000 C 129 GLU N N 15 124.178 0.095 C 130 THR H H 1 8.203 0.000 C 130 THR HA H 1 4.434 0.000 C 130 THR HB H 1 4.378 0.056 C 130 THR C C 13 174.853 0.000 C 130 THR CA C 13 61.327 0.000 C 130 THR CB C 13 69.376 0.000 C 130 THR N N 15 115.450 0.000 C 131 THR H H 1 8.160 0.000 C 131 THR HA H 1 4.470 0.000 C 131 THR HB H 1 3.895 0.000 C 131 THR C C 13 174.692 0.000 C 131 THR CA C 13 61.205 0.000 C 131 THR CB C 13 69.310 0.000 C 131 THR N N 15 115.810 0.000 C 132 SER H H 1 8.329 0.000 C 132 SER HA H 1 4.518 0.000 C 132 SER HBx H 1 3.896 0.000 C 132 SER HBy H 1 3.952 0.000 C 132 SER C C 13 175.027 0.000 C 132 SER CA C 13 58.213 0.000 C 132 SER CB C 13 63.251 0.000 C 132 SER N N 15 117.753 0.000 C 133 GLY H H 1 8.360 0.000 C 133 GLY HA2 H 1 4.080 0.000 C 133 GLY HA3 H 1 4.080 0.000 C 133 GLY C C 13 173.555 0.000 C 133 GLY CA C 13 45.109 0.000 C 133 GLY N N 15 111.214 0.000 C 134 SER H H 1 7.863 0.002 C 134 SER HA H 1 4.303 0.000 C 134 SER HB2 H 1 3.856 0.000 C 134 SER C C 13 178.296 0.000 C 134 SER CA C 13 59.068 0.000 C 134 SER CB C 13 64.184 0.000 C 134 SER N N 15 119.977 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 C 10 TRP H C 8 PRO HA 1.0 2.189 4.065 2 1 C 10 TRP H C 11 PRO HA 1.0 2.189 4.065 3 2 C 10 TRP HZ3 C 38 ASN H 1.0 2.268 4.212 4 2 C 38 ASN HD21 C 38 ASN H 1.0 2.268 4.212 5 2 C 24 LEU H C 38 ASN HD21 1.0 2.268 4.212 6 2 C 24 LEU H C 10 TRP HZ3 1.0 2.268 4.212 7 3 C 30 LYS H C 39 ALA HB% 1.0 2.335 4.335 8 3 C 30 LYS H C 29 ILE HG1x 1.0 2.335 4.335 9 4 C 56 ALA H C 57 VAL H 1.0 1.720 3.111 10 4 C 54 THR H C 56 ALA H 1.0 1.720 3.111 11 5 C 56 ALA H C 58 PHE H 1.0 2.159 4.011 12 5 C 56 ALA H C 59 LYS H 1.0 2.159 4.011 13 6 C 54 THR H C 55 VAL H 1.0 1.720 3.124 14 6 C 57 VAL H C 55 VAL H 1.0 1.720 3.124 15 7 C 54 THR H C 57 VAL H 1.0 1.721 3.195 16 7 C 56 ALA H C 57 VAL H 1.0 1.721 3.195 17 8 C 55 VAL H C 53 GLN H 1.0 2.299 4.269 18 8 C 58 PHE H C 55 VAL H 1.0 2.299 4.269 19 9 C 61 GLU H C 65 TYR HBx 1.0 2.195 5.077 20 9 C 61 GLU H C 60 PRO HDy 1.0 2.195 5.077 21 10 C 67 PHE H C 24 LEU HBy 1.0 3.080 5.720 22 10 C 67 PHE H C 74 LEU HDx% 1.0 3.080 5.720 23 11 C 26 ILE H C 64 GLY H 1.0 2.449 4.547 24 11 C 72 GLY H C 26 ILE H 1.0 2.449 4.547 25 11 C 69 SER H C 72 GLY H 1.0 2.449 4.547 26 11 C 69 SER H C 64 GLY H 1.0 2.449 4.547 27 12 C 71 TYR H C 71 TYR HB2 1.0 1.983 3.683 28 12 C 71 TYR HB3 C 71 TYR H 1.0 1.983 3.683 29 13 C 71 TYR H C 73 GLU H 1.0 2.036 3.780 30 13 C 71 TYR H C 71 TYR HE% 1.0 2.036 3.780 31 14 C 72 GLY H C 68 ARG HGx 1.0 2.298 4.268 32 14 C 72 GLY H C 70 GLN HB2 1.0 2.298 4.268 33 15 C 78 SER H C 76 TYR HE% 1.0 2.363 4.387 34 15 C 81 ALA H C 78 SER H 1.0 2.363 4.387 35 16 C 88 SER H C 83 GLU HGy 1.0 2.267 4.711 36 16 C 88 SER H C 65 TYR HBy 1.0 2.267 4.711 37 16 C 88 SER H C 82 PHE HBx 1.0 2.267 4.711 38 17 C 88 SER H C 83 GLU HGy 1.0 2.595 4.819 39 17 C 88 SER H C 82 PHE HBx 1.0 2.595 4.819 40 18 C 88 SER H C 90 SER HB2 1.0 2.311 4.291 41 18 C 88 SER H C 83 GLU HA 1.0 2.311 4.291 42 19 C 88 SER H C 90 SER HB2 1.0 2.053 4.011 43 19 C 88 SER H C 91 GLY HA2 1.0 2.053 4.011 44 19 C 88 SER H C 10 TRP HBy 1.0 2.053 4.011 45 19 C 88 SER H C 83 GLU HA 1.0 2.053 4.011 46 19 C 88 SER H C 90 SER HB3 1.0 2.053 4.011 47 20 C 90 SER HB2 C 93 VAL H 1.0 2.196 4.078 48 20 C 90 SER HB3 C 93 VAL H 1.0 2.196 4.078 49 21 C 5 ASN H C 4 PRO HGy 1.0 2.161 4.013 50 21 C 5 ASN H C 4 PRO HBy 1.0 2.161 4.013 51 21 C 5 ASN H C 4 PRO HGx 1.0 2.161 4.013 52 22 C 6 PHE H C 6 PHE HA 1.0 2.059 3.823 53 22 C 6 PHE H C 5 ASN HA 1.0 2.059 3.823 54 23 C 6 PHE H C 6 PHE HB3 1.0 1.925 3.575 55 23 C 6 PHE H C 6 PHE HB2 1.0 1.925 3.575 56 24 C 10 TRP H C 9 SER HB2 1.0 1.741 3.233 57 24 C 10 TRP H C 10 TRP HBy 1.0 1.741 3.233 58 25 C 29 ILE HG1x C 29 ILE H 1.0 1.753 3.257 59 25 C 29 ILE H C 28 ALA HB% 1.0 1.753 3.257 60 26 C 29 ILE H C 29 ILE HA 1.0 1.720 3.188 61 26 C 29 ILE H C 28 ALA HA 1.0 1.720 3.188 62 27 C 41 PHE H C 24 LEU HBy 1.0 2.641 4.905 63 27 C 39 ALA HB% C 41 PHE H 1.0 2.641 4.905 64 28 C 39 ALA H C 38 ASN HBx 1.0 2.369 4.399 65 28 C 39 ALA H C 48 GLN HBy 1.0 2.369 4.399 66 29 C 40 GLU H C 26 ILE HA 1.0 2.524 5.500 67 29 C 40 GLU H C 47 ASP HA 1.0 2.524 5.500 68 30 C 28 ALA H C 40 GLU HB3 1.0 2.119 3.935 69 30 C 28 ALA H C 27 LYS HBy 1.0 2.119 3.935 70 30 C 40 GLU HB2 C 28 ALA H 1.0 2.119 3.935 71 31 C 55 VAL H C 53 GLN HA 1.0 1.919 3.563 72 31 C 55 VAL H C 54 THR HB 1.0 1.919 3.563 73 32 C 70 GLN HE21 C 70 GLN HA 1.0 2.315 4.299 74 32 C 69 SER HBx C 70 GLN HE21 1.0 2.315 4.299 75 33 C 77 MET H C 67 PHE HBy 1.0 2.288 4.250 76 33 C 77 MET H C 77 MET HE% 1.0 2.288 4.250 77 34 C 83 GLU H C 83 GLU HGy 1.0 2.057 3.819 78 34 C 82 PHE HBx C 83 GLU H 1.0 2.057 3.819 79 35 C 82 PHE H C 80 THR H 1.0 2.288 4.248 80 35 C 83 GLU H C 82 PHE H 1.0 2.288 4.248 81 36 C 86 TYR H C 83 GLU HB3 1.0 2.497 4.637 82 36 C 86 TYR H C 83 GLU HB2 1.0 2.497 4.637 83 36 C 86 TYR H C 85 ASN HBy 1.0 2.497 4.637 84 37 C 76 TYR HE% C 94 ALA H 1.0 2.744 5.096 85 37 C 94 ALA H C 95 ASN HD21 1.0 2.744 5.096 86 38 C 99 ALA H C 99 ALA HA 1.0 1.975 3.669 87 38 C 98 THR HA C 99 ALA H 1.0 1.975 3.669 88 39 C 105 ALA H C 105 ALA HA 1.0 1.982 3.680 89 39 C 105 ALA H C 104 THR HA 1.0 1.982 3.680 90 40 C 96 ALA HA C 96 ALA H 1.0 2.379 4.419 91 40 C 106 ARG H C 96 ALA HA 1.0 2.379 4.419 92 41 C 110 LEU H C 110 LEU HG 1.0 2.058 3.822 93 41 C 110 LEU HBy C 110 LEU H 1.0 2.058 3.822 94 42 C 131 THR H C 131 THR HA 1.0 2.276 4.228 95 42 C 131 THR HB C 131 THR H 1.0 2.276 4.228 96 43 C 10 TRP HZ3 C 10 TRP HA 1.0 1.800 7.197 97 43 C 10 TRP HA C 10 TRP HE3 1.0 1.800 7.197 98 43 C 10 TRP HA C 10 TRP HH2 1.0 1.800 7.197 99 44 C 10 TRP HBy C 12 LEU HBx 1.0 3.151 5.251 100 44 C 20 TYR HBy C 12 LEU HBx 1.0 3.151 5.251 101 44 C 12 LEU HBy C 20 TYR HBy 1.0 3.151 5.251 102 44 C 10 TRP HBy C 12 LEU HBy 1.0 3.151 5.251 103 45 C 14 LYS HB2 C 19 VAL HA 1.0 3.092 5.154 104 45 C 14 LYS HB2 C 20 TYR HA 1.0 3.092 5.154 105 46 C 12 LEU HG C 13 TYR HD% 1.0 2.935 4.893 106 46 C 12 LEU HG C 13 TYR HE% 1.0 2.935 4.893 107 46 C 12 LEU HG C 20 TYR HE% 1.0 2.935 4.893 108 46 C 20 TYR HD% C 12 LEU HG 1.0 2.935 4.893 109 47 C 22 SER H C 68 ARG HBy 1.0 2.430 5.500 110 47 C 22 SER H C 68 ARG HGy 1.0 2.430 5.500 111 48 C 68 ARG HA C 74 LEU HDy% 1.0 3.042 5.070 112 48 C 21 VAL HG21 C 68 ARG HA 1.0 3.042 5.070 113 49 C 21 VAL HG11 C 68 ARG HGy 1.0 2.890 5.316 114 49 C 21 VAL HG11 C 73 GLU HBx 1.0 2.890 5.316 115 49 C 21 VAL HG11 C 68 ARG HGx 1.0 2.890 5.316 116 49 C 21 VAL HG11 C 73 GLU HBy 1.0 2.890 5.316 117 50 C 24 LEU HA C 23 ALA HB% 1.0 3.266 5.444 118 50 C 24 LEU HA C 12 LEU HDx% 1.0 3.266 5.444 119 51 C 24 LEU HDy% C 68 ARG HBx 1.0 3.138 5.230 120 51 C 24 LEU HDy% C 48 GLN HB2 1.0 3.138 5.230 121 51 C 24 LEU HDy% C 67 PHE HBx 1.0 3.138 5.230 122 51 C 24 LEU HDy% C 68 ARG HBy 1.0 3.138 5.230 123 52 C 26 ILE HD1% C 60 PRO HDx 1.0 3.593 5.987 124 52 C 26 ILE HA C 26 ILE HD1% 1.0 3.593 5.987 125 52 C 26 ILE HD1% C 65 TYR HA 1.0 3.593 5.987 126 53 C 29 ILE HA C 29 ILE HD1% 1.0 2.846 4.744 127 53 C 28 ALA HA C 29 ILE HD1% 1.0 2.846 4.744 128 54 C 29 ILE HA C 30 LYS HGx 1.0 2.925 4.875 129 54 C 29 ILE HA C 29 ILE HG1y 1.0 2.925 4.875 130 54 C 29 ILE HA C 30 LYS HGy 1.0 2.925 4.875 131 54 C 28 ALA HB% C 29 ILE HA 1.0 2.925 4.875 132 55 C 26 ILE HD1% C 60 PRO HA 1.0 3.233 5.389 133 55 C 29 ILE HD1% C 60 PRO HA 1.0 3.233 5.389 134 56 C 64 GLY HAy C 26 ILE HB 1.0 3.139 5.231 135 56 C 39 ALA HB% C 64 GLY HAy 1.0 3.139 5.231 136 56 C 64 GLY HAy C 66 LEU HDx% 1.0 3.139 5.231 137 56 C 64 GLY HAy C 79 LYS HGx 1.0 3.139 5.231 138 56 C 29 ILE HG1y C 64 GLY HAy 1.0 3.139 5.231 139 57 C 32 ALA HA C 35 GLY HAy 1.0 2.912 4.854 140 57 C 32 ALA HA C 33 ASN HA 1.0 2.912 4.854 141 58 C 48 GLN HB2 C 39 ALA HA 1.0 2.885 4.809 142 58 C 48 GLN HB2 C 49 TYR HA 1.0 2.885 4.809 143 59 C 49 TYR HA C 55 VAL HGx% 1.0 2.556 5.500 144 59 C 49 TYR HA C 29 ILE HG2% 1.0 2.556 5.500 145 60 C 53 GLN HA C 55 VAL HGx% 1.0 1.999 3.331 146 60 C 51 SER HBx C 55 VAL HGx% 1.0 1.999 3.331 147 60 C 51 SER HBy C 55 VAL HGx% 1.0 1.999 3.331 148 60 C 59 LYS HA C 55 VAL HGx% 1.0 1.999 3.331 149 61 C 56 ALA HA C 55 VAL HGx% 1.0 2.983 4.971 150 61 C 56 ALA HA C 57 VAL HGx% 1.0 2.983 4.971 151 62 C 55 VAL HA C 37 ALA HB% 1.0 3.290 5.484 152 62 C 55 VAL HA C 59 LYS HGx 1.0 3.290 5.484 153 63 C 37 ALA HA C 55 VAL HGx% 1.0 2.003 5.500 154 63 C 60 PRO HDx C 55 VAL HGx% 1.0 2.003 5.500 155 64 C 60 PRO HA C 59 LYS HBy 1.0 3.206 5.344 156 64 C 60 PRO HA C 74 LEU HBy 1.0 3.206 5.344 157 64 C 60 PRO HA C 59 LYS HBx 1.0 3.206 5.344 158 65 C 26 ILE HB C 63 GLY HAy 1.0 3.260 5.434 159 65 C 79 LYS HGx C 63 GLY HAy 1.0 3.260 5.434 160 66 C 67 PHE HA C 76 TYR HBy 1.0 4.600 7.666 161 66 C 67 PHE HA C 68 ARG HD2 1.0 4.600 7.666 162 66 C 67 PHE HA C 76 TYR HBx 1.0 4.600 7.666 163 67 C 67 PHE HA C 66 LEU HBy 1.0 3.355 5.593 164 67 C 67 PHE HA C 24 LEU HG 1.0 3.355 5.593 165 67 C 67 PHE HA C 66 LEU HBx 1.0 3.355 5.593 166 67 C 67 PHE HA C 68 ARG HGy 1.0 3.355 5.593 167 68 C 71 TYR HA C 72 GLY HAy 1.0 2.295 4.325 168 68 C 70 GLN HA C 71 TYR HA 1.0 2.295 4.325 169 69 C 71 TYR HA C 68 ARG HGy 1.0 3.474 5.790 170 69 C 68 ARG HGx C 71 TYR HA 1.0 3.474 5.790 171 69 C 70 GLN HB2 C 71 TYR HA 1.0 3.474 5.790 172 70 C 82 PHE HBx C 79 LYS HBy 1.0 3.365 5.609 173 70 C 65 TYR HBx C 79 LYS HBy 1.0 3.365 5.609 174 70 C 77 MET HBx C 78 SER HBy 1.0 3.365 5.609 175 71 C 81 ALA HA C 83 GLU HB3 1.0 3.364 5.608 176 71 C 82 PHE HBx C 81 ALA HA 1.0 3.364 5.608 177 71 C 81 ALA HA C 83 GLU HGx 1.0 3.364 5.608 178 71 C 81 ALA HA C 83 GLU HGy 1.0 3.364 5.608 179 71 C 81 ALA HA C 83 GLU HB2 1.0 3.364 5.608 180 72 C 92 SER HBy C 97 GLU HBy 1.0 2.811 4.685 181 72 C 85 ASN HBy C 92 SER HBy 1.0 2.811 4.685 182 73 C 11 PRO HA C 89 ALA HB% 1.0 2.148 3.580 183 73 C 89 ALA HB% C 89 ALA HA 1.0 2.148 3.580 184 73 C 89 ALA HB% C 90 SER HA 1.0 2.148 3.580 185 73 C 89 ALA HB% C 87 THR HB 1.0 2.148 3.580 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 C 24 LEU HG C 68 ARG H 1.0 2.496 5.500 2 2 C 74 LEU HDy% C 58 PHE HD% 1.0 3.700 5.500 3 3 C 19 VAL HG1% C 70 GLN HE22 1.0 2.572 4.776 4 4 C 5 ASN H C 4 PRO HD2 1.0 2.189 4.065 5 5 C 5 ASN H C 6 PHE H 1.0 1.720 2.976 6 6 C 6 PHE H C 6 PHE HE% 1.0 2.801 5.203 7 7 C 6 PHE HB2 C 7 THR H 1.0 2.146 3.986 8 7 C 6 PHE HB3 C 7 THR H 1.0 2.146 3.986 9 8 C 7 THR H C 6 PHE HD% 1.0 2.801 5.201 10 9 C 10 TRP H C 10 TRP HZ3 1.0 2.423 4.499 11 10 C 10 TRP H C 10 TRP HZ2 1.0 2.849 5.291 12 11 C 12 LEU HBy C 12 LEU H 1.0 2.039 3.787 13 12 C 15 ASP H C 14 LYS H 1.0 2.209 4.103 14 13 C 15 ASP H C 15 ASP HBy 1.0 2.224 4.130 15 14 C 17 ASP H C 18 GLY HAy 1.0 2.568 4.768 16 15 C 18 GLY H C 19 VAL HG2% 1.0 2.174 5.500 17 16 C 19 VAL HA C 19 VAL H 1.0 2.992 5.556 18 17 C 19 VAL HG1% C 19 VAL H 1.0 2.268 4.212 19 18 C 19 VAL HA C 20 TYR H 1.0 1.767 3.281 20 19 C 19 VAL H C 20 TYR H 1.0 2.683 4.983 21 20 C 20 TYR H C 21 VAL H 1.0 2.323 4.315 22 21 C 22 SER H C 21 VAL HA 1.0 1.887 3.505 23 22 C 22 SER HA C 13 TYR H 1.0 1.800 6.000 24 23 C 22 SER HA C 23 ALA H 1.0 1.727 3.207 25 24 C 24 LEU H C 23 ALA H 1.0 2.233 4.147 26 25 C 24 LEU H C 24 LEU HDx% 1.0 2.050 3.806 27 26 C 24 LEU H C 67 PHE HA 1.0 2.500 4.642 28 27 C 41 PHE H C 27 LYS H 1.0 2.138 5.500 29 28 C 27 LYS H C 41 PHE HD% 1.0 2.285 5.500 30 29 C 29 ILE H C 29 ILE HD1% 1.0 2.328 4.324 31 30 C 29 ILE H C 29 ILE HA 1.0 2.242 4.164 32 31 C 30 LYS H C 39 ALA HA 1.0 2.713 5.039 33 32 C 30 LYS H C 31 TYR H 1.0 2.164 4.018 34 33 C 31 TYR H C 32 ALA H 1.0 2.469 4.585 35 34 C 32 ALA H C 33 ASN H 1.0 2.227 4.135 36 35 C 33 ASN H C 33 ASN HD21 1.0 2.251 4.181 37 36 C 33 ASN H C 33 ASN HD22 1.0 2.208 4.102 38 37 C 33 ASN HA C 33 ASN H 1.0 2.227 4.135 39 38 C 33 ASN HD21 C 34 ASP H 1.0 2.253 4.183 40 39 C 33 ASN H C 35 GLY H 1.0 2.188 5.500 41 40 C 35 GLY H C 36 SER H 1.0 2.308 4.286 42 41 C 36 SER H C 36 SER HB2 1.0 2.206 4.098 43 42 C 38 ASN H C 32 ALA H 1.0 2.139 5.500 44 43 C 38 ASN HA C 50 MET H 1.0 1.800 6.000 45 44 C 39 ALA H C 29 ILE HG2% 1.0 1.863 5.500 46 45 C 39 ALA H C 48 GLN H 1.0 1.885 3.501 47 46 C 40 GLU H C 28 ALA H 1.0 2.132 5.500 48 47 C 40 GLU H C 40 GLU HB2 1.0 2.405 4.467 49 47 C 40 GLU H C 40 GLU HB3 1.0 2.405 4.467 50 48 C 41 PHE H C 40 GLU HA 1.0 2.369 4.401 51 49 C 41 PHE HD% C 42 ASP H 1.0 2.116 3.928 52 50 C 48 GLN H C 40 GLU HA 1.0 2.494 4.632 53 51 C 48 GLN H C 47 ASP H 1.0 2.694 5.002 54 52 C 48 GLN HB2 C 48 GLN H 1.0 1.971 3.661 55 53 C 37 ALA HA C 50 MET H 1.0 3.913 6.000 56 54 C 52 ALA H C 52 ALA HA 1.0 2.320 4.308 57 55 C 54 THR H C 52 ALA H 1.0 2.257 4.191 58 56 C 54 THR H C 52 ALA HA 1.0 2.110 3.918 59 57 C 54 THR H C 53 GLN H 1.0 1.734 3.220 60 58 C 54 THR H C 53 GLN HG2 1.0 2.512 4.664 61 59 C 54 THR H C 55 VAL H 1.0 1.720 3.137 62 60 C 54 THR H C 56 ALA H 1.0 2.021 5.500 63 61 C 39 ALA HB% C 47 ASP HA 1.0 1.918 5.500 64 62 C 55 VAL H C 54 THR HG2% 1.0 2.133 3.963 65 63 C 56 ALA H C 55 VAL H 1.0 1.720 3.124 66 64 C 56 ALA H C 55 VAL H 1.0 1.728 3.210 67 65 C 56 ALA H C 59 LYS H 1.0 2.519 4.677 68 66 C 57 VAL H C 54 THR HA 1.0 2.436 4.524 69 67 C 57 VAL H C 55 VAL H 1.0 2.235 4.151 70 68 C 36 SER H C 52 ALA H 1.0 2.178 4.544 71 69 C 55 VAL H C 36 SER HA 1.0 2.598 5.324 72 70 C 53 GLN H C 51 SER HBx 1.0 2.451 4.553 73 71 C 58 PHE H C 57 VAL HGy% 1.0 2.281 4.237 74 72 C 56 ALA H C 55 VAL HB 1.0 2.231 4.143 75 73 C 48 GLN HE22 C 46 ALA HA 1.0 2.356 4.374 76 74 C 46 ALA HA C 48 GLN HE21 1.0 2.334 4.334 77 75 C 54 THR H C 51 SER HBx 1.0 2.318 4.306 78 76 C 56 ALA H C 58 PHE H 1.0 2.202 4.088 79 77 C 57 VAL H C 58 PHE H 1.0 1.720 3.171 80 78 C 57 VAL H C 58 PHE H 1.0 1.720 3.029 81 79 C 58 PHE H C 57 VAL HA 1.0 2.309 4.289 82 80 C 57 VAL H C 58 PHE HBx 1.0 2.411 4.479 83 81 C 58 PHE H C 58 PHE HD% 1.0 2.014 3.740 84 82 C 59 LYS H C 58 PHE HD% 1.0 2.400 4.956 85 83 C 59 LYS H C 55 VAL HA 1.0 2.263 4.203 86 84 C 59 LYS H C 56 ALA HB% 1.0 2.669 4.957 87 85 C 59 LYS H C 58 PHE HA 1.0 2.540 4.718 88 86 C 59 LYS H C 59 LYS HDx 1.0 2.611 4.849 89 87 C 59 LYS H C 59 LYS HGx 1.0 2.389 4.437 90 88 C 61 GLU H C 60 PRO HDx 1.0 2.216 4.116 91 89 C 27 LYS H C 63 GLY H 1.0 2.291 5.500 92 90 C 63 GLY H C 62 VAL HB 1.0 2.388 4.436 93 91 C 63 GLY H C 62 VAL H 1.0 2.202 4.088 94 92 C 64 GLY H C 63 GLY H 1.0 1.724 3.202 95 93 C 64 GLY H C 65 TYR H 1.0 2.241 4.161 96 94 C 24 LEU H C 67 PHE HD% 1.0 2.554 5.242 97 95 C 68 ARG H C 21 VAL HA 1.0 2.263 4.203 98 96 C 24 LEU H C 68 ARG H 1.0 1.919 5.500 99 97 C 24 LEU H C 68 ARG H 1.0 1.839 5.500 100 98 C 67 PHE H C 68 ARG H 1.0 2.470 4.588 101 99 C 22 SER H C 69 SER HA 1.0 2.448 5.500 102 100 C 69 SER H C 70 GLN H 1.0 2.350 4.366 103 101 C 69 SER HA C 70 GLN H 1.0 2.171 4.031 104 102 C 70 GLN HA C 70 GLN H 1.0 2.163 4.017 105 103 C 70 GLN HB2 C 70 GLN H 1.0 1.926 3.576 106 104 C 70 GLN H C 70 GLN HBy 1.0 2.262 4.200 107 105 C 71 TYR H C 70 GLN H 1.0 2.026 3.764 108 106 C 71 TYR H C 71 TYR HD% 1.0 2.054 3.816 109 107 C 72 GLY H C 71 TYR HD% 1.0 2.316 4.302 110 108 C 72 GLY H C 71 TYR HB3 1.0 2.390 4.438 111 108 C 72 GLY H C 71 TYR HB2 1.0 2.390 4.438 112 109 C 69 SER H C 73 GLU H 1.0 2.076 5.500 113 110 C 73 GLU H C 74 LEU H 1.0 2.414 4.484 114 111 C 73 GLU H C 74 LEU H 1.0 2.414 4.484 115 112 C 78 SER H C 77 MET HA 1.0 1.788 3.320 116 113 C 78 SER H C 79 LYS H 1.0 2.546 4.728 117 114 C 78 SER H C 79 LYS H 1.0 2.676 4.970 118 115 C 81 ALA H C 80 THR HA 1.0 2.288 4.248 119 116 C 81 ALA H C 82 PHE HA 1.0 3.050 5.664 120 117 C 83 GLU H C 82 PHE H 1.0 1.747 3.245 121 118 C 83 GLU H C 85 ASN H 1.0 2.150 5.500 122 119 C 82 PHE H C 84 ALA H 1.0 2.414 4.484 123 120 C 83 GLU H C 84 ALA H 1.0 1.733 3.219 124 121 C 85 ASN H C 84 ALA H 1.0 1.720 3.069 125 122 C 86 TYR H C 84 ALA H 1.0 2.123 3.943 126 123 C 86 TYR H C 84 ALA H 1.0 1.946 3.614 127 124 C 81 ALA HA C 85 ASN H 1.0 2.374 5.500 128 125 C 85 ASN H C 85 ASN HD22 1.0 2.035 3.779 129 126 C 86 TYR H C 84 ALA HB% 1.0 2.316 4.800 130 127 C 85 ASN H C 86 TYR HE% 1.0 2.260 4.196 131 128 C 87 THR H C 86 TYR HB2 1.0 2.919 5.421 132 129 C 87 THR H C 87 THR HA 1.0 2.151 3.995 133 130 C 88 SER H C 89 ALA H 1.0 2.481 4.609 134 131 C 88 SER H C 89 ALA HB% 1.0 2.610 4.848 135 132 C 88 SER H C 89 ALA H 1.0 2.575 4.781 136 133 C 89 ALA H C 88 SER HBx 1.0 2.034 3.778 137 134 C 92 SER HA C 92 SER H 1.0 2.107 3.913 138 135 C 93 VAL H C 92 SER HBy 1.0 2.146 3.986 139 136 C 93 VAL H C 93 VAL HA 1.0 2.254 4.186 140 137 C 94 ALA H C 93 VAL HGx% 1.0 2.321 4.311 141 138 C 94 ALA H C 92 SER HA 1.0 2.510 4.660 142 139 C 93 VAL HGx% C 95 ASN H 1.0 2.489 4.621 143 140 C 98 THR HA C 98 THR H 1.0 2.167 4.025 144 141 C 100 ASP H C 100 ASP HA 1.0 2.336 4.340 145 142 C 105 ALA H C 104 THR HG2% 1.0 3.066 5.694 146 143 C 106 ARG H C 106 ARG HA 1.0 2.458 4.566 147 144 C 106 ARG H C 107 THR HG2% 1.0 2.320 4.310 148 145 C 108 ILE H C 103 SER HA 1.0 2.511 4.665 149 146 C 108 ILE H C 108 ILE HA 1.0 2.485 4.615 150 147 C 109 THR H C 107 THR HB 1.0 2.343 4.353 151 148 C 110 LEU HDy% C 111 THR H 1.0 2.421 4.495 152 149 C 110 LEU HBy C 111 THR H 1.0 2.246 4.170 153 150 C 111 THR H C 111 THR HA 1.0 2.302 4.276 154 151 C 110 LEU HDy% C 114 VAL H 1.0 2.213 4.111 155 151 C 114 VAL H C 110 LEU HDx% 1.0 2.213 4.111 156 152 C 114 VAL H C 114 VAL HA 1.0 2.490 4.624 157 153 C 114 VAL HB C 117 SER H 1.0 2.295 4.261 158 154 C 114 VAL HA C 116 GLY H 1.0 2.382 4.424 159 155 C 116 GLY H C 115 THR HA 1.0 2.647 4.915 160 156 C 117 SER H C 114 VAL HGy% 1.0 1.857 3.449 161 156 C 117 SER H C 114 VAL HGx% 1.0 1.857 3.449 162 157 C 117 SER H C 116 GLY HA3 1.0 2.275 4.225 163 157 C 117 SER H C 116 GLY HA2 1.0 2.275 4.225 164 158 C 117 SER H C 117 SER HBx 1.0 1.806 3.354 165 159 C 118 ALA H C 113 ALA HB% 1.0 2.682 4.982 166 160 C 114 VAL HB C 118 ALA H 1.0 2.489 4.621 167 161 C 118 ALA H C 117 SER HBy 1.0 3.449 6.000 168 162 C 118 ALA H C 118 ALA HA 1.0 1.763 3.273 169 163 C 119 SER H C 119 SER HB2 1.0 2.460 4.568 170 164 C 121 ASP H C 120 PHE HA 1.0 2.255 4.189 171 165 C 121 ASP H C 121 ASP HA 1.0 2.153 3.997 172 166 C 121 ASP H C 122 GLY HA3 1.0 2.299 4.271 173 166 C 121 ASP H C 122 GLY HA2 1.0 2.299 4.271 174 167 C 124 ALA H C 124 ALA HA 1.0 2.042 3.792 175 168 C 128 ILE H C 126 VAL HGx% 1.0 2.247 4.173 176 169 C 131 THR HB C 131 THR H 1.0 2.038 3.786 177 170 C 131 THR H C 131 THR HG21 1.0 2.338 4.342 178 171 C 131 THR HB C 132 SER H 1.0 2.349 4.361 179 172 C 132 SER H C 133 GLY HA2 1.0 2.028 3.766 180 173 C 133 GLY HA2 C 134 SER H 1.0 2.024 3.760 181 174 C 134 SER H C 134 SER HB2 1.0 1.720 2.803 182 175 C 134 SER H C 134 SER HBy 1.0 1.720 3.089 183 176 C 2 ALA HA C 2 ALA H 1.0 1.917 3.559 184 177 C 2 ALA H C 2 ALA HB% 1.0 1.720 3.063 185 178 C 2 ALA HB% C 3 ASN HD21 1.0 2.357 4.379 186 179 C 2 ALA HA C 3 ASN H 1.0 1.720 3.329 187 180 C 2 ALA HB% C 3 ASN H 1.0 2.043 3.793 188 181 C 3 ASN H C 3 ASN HA 1.0 2.230 4.142 189 182 C 3 ASN H C 3 ASN HBy 1.0 1.902 3.532 190 183 C 3 ASN H C 3 ASN HBx 1.0 1.909 3.545 191 184 C 3 ASN HD21 C 3 ASN HBx 1.0 2.207 4.099 192 185 C 3 ASN HBx C 3 ASN HD22 1.0 2.377 4.415 193 186 C 3 ASN HD21 C 3 ASN HBy 1.0 2.429 4.511 194 187 C 3 ASN HBy C 3 ASN HD22 1.0 2.456 4.560 195 188 C 5 ASN H C 4 PRO HA 1.0 1.910 3.548 196 189 C 5 ASN H C 4 PRO HBx 1.0 2.579 4.791 197 190 C 5 ASN H C 5 ASN HA 1.0 2.246 4.170 198 191 C 5 ASN H C 5 ASN HBx 1.0 1.950 3.622 199 192 C 5 ASN H C 5 ASN HBy 1.0 2.035 3.779 200 193 C 5 ASN HBx C 5 ASN HD21 1.0 2.117 3.931 201 194 C 5 ASN HBy C 5 ASN HD22 1.0 2.494 4.632 202 195 C 6 PHE HA C 7 THR H 1.0 1.884 3.498 203 196 C 7 THR H C 7 THR HA 1.0 2.311 4.291 204 197 C 7 THR H C 7 THR HG2% 1.0 2.165 4.021 205 198 C 8 PRO HA C 9 SER H 1.0 1.861 3.457 206 199 C 9 SER H C 9 SER HA 1.0 2.277 4.229 207 200 C 9 SER HB2 C 9 SER H 1.0 2.071 3.845 208 201 C 10 TRP H C 10 TRP HA 1.0 2.207 4.099 209 202 C 10 TRP H C 10 TRP HE3 1.0 2.309 4.287 210 203 C 10 TRP H C 10 TRP HBx 1.0 1.904 3.536 211 204 C 11 PRO HA C 12 LEU H 1.0 1.763 3.273 212 205 C 12 LEU H C 12 LEU HA 1.0 2.326 4.320 213 206 C 12 LEU HBy C 13 TYR H 1.0 2.370 4.402 214 207 C 12 LEU HDx% C 13 TYR H 1.0 2.280 4.734 215 208 C 13 TYR H C 12 LEU HDy% 1.0 3.309 6.000 216 209 C 13 TYR H C 12 LEU HA 1.0 1.950 3.622 217 210 C 13 TYR H C 13 TYR HA 1.0 2.326 4.320 218 211 C 13 TYR H C 13 TYR HB2 1.0 2.729 5.069 219 212 C 14 LYS H C 13 TYR HA 1.0 1.967 3.653 220 213 C 14 LYS HB2 C 14 LYS H 1.0 2.048 3.804 221 214 C 15 ASP H C 14 LYS HA 1.0 1.908 3.544 222 215 C 14 LYS HB2 C 15 ASP H 1.0 2.014 3.740 223 216 C 15 ASP H C 15 ASP HA 1.0 2.397 4.453 224 217 C 15 ASP HA C 16 ALA H 1.0 2.053 3.811 225 218 C 16 ALA H C 16 ALA HB% 1.0 1.767 3.283 226 219 C 16 ALA H C 16 ALA HA 1.0 2.324 4.316 227 220 C 17 ASP H C 16 ALA H 1.0 2.330 4.328 228 221 C 17 ASP H C 16 ALA H 1.0 2.496 4.634 229 222 C 17 ASP H C 16 ALA HA 1.0 2.233 4.147 230 223 C 17 ASP H C 16 ALA HB% 1.0 2.016 3.744 231 224 C 17 ASP H C 17 ASP HA 1.0 1.931 3.587 232 225 C 17 ASP H C 17 ASP HBx 1.0 1.947 3.615 233 226 C 18 GLY H C 17 ASP HA 1.0 2.312 4.294 234 227 C 18 GLY H C 17 ASP HBx 1.0 2.277 4.229 235 228 C 18 GLY H C 18 GLY HAx 1.0 2.023 3.757 236 229 C 18 GLY HAy C 18 GLY H 1.0 1.915 3.557 237 230 C 19 VAL H C 17 ASP HBy 1.0 2.738 5.584 238 231 C 18 GLY HAy C 19 VAL H 1.0 2.380 4.420 239 232 C 19 VAL H C 19 VAL HB 1.0 1.953 3.627 240 233 C 19 VAL HG2% C 19 VAL H 1.0 1.852 3.438 241 234 C 20 TYR HBy C 21 VAL H 1.0 2.010 3.732 242 235 C 20 TYR HA C 21 VAL H 1.0 2.098 3.896 243 236 C 22 SER H C 22 SER HA 1.0 2.269 4.213 244 237 C 22 SER H C 22 SER HBy 1.0 2.386 4.432 245 238 C 22 SER H C 22 SER HBx 1.0 2.018 3.748 246 239 C 23 ALA H C 22 SER HBx 1.0 2.054 3.816 247 240 C 23 ALA H C 22 SER HBy 1.0 1.875 3.983 248 241 C 22 SER H C 23 ALA H 1.0 2.732 5.072 249 242 C 23 ALA H C 12 LEU HDy% 1.0 2.047 3.803 250 243 C 23 ALA H C 23 ALA HA 1.0 2.314 4.298 251 244 C 23 ALA HB% C 23 ALA H 1.0 2.125 3.947 252 245 C 24 LEU H C 23 ALA HA 1.0 1.819 3.377 253 246 C 24 LEU H C 23 ALA HB% 1.0 2.049 3.805 254 247 C 27 LYS H C 26 ILE HG2% 1.0 2.300 4.772 255 248 C 27 LYS H C 27 LYS HA 1.0 2.185 4.059 256 249 C 27 LYS H C 27 LYS HGy 1.0 2.132 3.960 257 249 C 27 LYS H C 27 LYS HGx 1.0 2.132 3.960 258 250 C 28 ALA H C 27 LYS HA 1.0 1.903 3.533 259 251 C 28 ALA H C 27 LYS HGy 1.0 1.932 3.588 260 251 C 28 ALA H C 27 LYS HGx 1.0 1.932 3.588 261 252 C 28 ALA H C 29 ILE HG1y 1.0 1.944 5.507 262 253 C 29 ILE H C 29 ILE HG2% 1.0 2.207 4.099 263 254 C 39 ALA HB% C 29 ILE H 1.0 2.523 5.700 264 255 C 30 LYS H C 29 ILE HA 1.0 1.791 3.327 265 256 C 30 LYS H C 30 LYS HA 1.0 2.137 3.969 266 257 C 30 LYS H C 30 LYS HBx 1.0 2.050 3.808 267 258 C 31 TYR H C 30 LYS HA 1.0 1.720 3.173 268 259 C 31 TYR H C 30 LYS HBx 1.0 2.322 4.312 269 260 C 31 TYR H C 30 LYS HE2 1.0 2.209 4.103 270 261 C 31 TYR H C 31 TYR HBx 1.0 1.949 3.619 271 262 C 31 TYR H C 31 TYR HD% 1.0 2.113 3.925 272 263 C 32 ALA H C 31 TYR HA 1.0 1.762 3.272 273 264 C 32 ALA H C 31 TYR HD% 1.0 2.486 4.616 274 265 C 31 TYR H C 32 ALA H 1.0 2.266 4.208 275 266 C 32 ALA H C 32 ALA HB% 1.0 1.987 3.689 276 267 C 32 ALA HA C 32 ALA H 1.0 2.079 3.861 277 268 C 32 ALA HA C 33 ASN H 1.0 1.720 3.145 278 269 C 33 ASN H C 32 ALA HB% 1.0 1.831 3.401 279 270 C 33 ASN H C 33 ASN HBy 1.0 1.765 3.277 280 271 C 33 ASN HD21 C 33 ASN HBy 1.0 2.030 3.770 281 272 C 33 ASN HD22 C 33 ASN HBy 1.0 2.222 4.126 282 273 C 33 ASN HA C 33 ASN HD22 1.0 2.374 4.410 283 274 C 33 ASN H C 34 ASP H 1.0 2.508 4.658 284 275 C 33 ASN HA C 34 ASP H 1.0 2.178 4.046 285 276 C 34 ASP H C 33 ASN HBx 1.0 2.388 4.434 286 277 C 34 ASP H C 33 ASN HBy 1.0 2.319 4.307 287 278 C 34 ASP H C 34 ASP HBy 1.0 2.068 3.840 288 279 C 35 GLY H C 32 ALA HB% 1.0 2.263 4.201 289 280 C 35 GLY H C 34 ASP HA 1.0 2.221 4.125 290 281 C 35 GLY H C 34 ASP HBy 1.0 2.679 4.977 291 282 C 35 GLY HAy C 35 GLY H 1.0 1.914 3.554 292 283 C 35 GLY H C 35 GLY HAx 1.0 1.849 3.435 293 284 C 36 SER H C 36 SER HA 1.0 2.279 4.231 294 285 C 38 ASN H C 30 LYS HA 1.0 2.526 6.040 295 286 C 38 ASN H C 31 TYR HA 1.0 2.404 4.464 296 287 C 38 ASN H C 32 ALA H 1.0 2.178 5.500 297 288 C 38 ASN H C 37 ALA HA 1.0 1.837 3.413 298 289 C 38 ASN H C 38 ASN HBy 1.0 2.172 4.034 299 290 C 38 ASN HBy C 38 ASN HD22 1.0 2.380 4.420 300 291 C 39 ALA H C 38 ASN HA 1.0 1.860 3.454 301 292 C 38 ASN H C 39 ALA H 1.0 2.507 4.655 302 293 C 39 ALA H C 38 ASN HBy 1.0 2.269 4.213 303 294 C 39 ALA HB% C 39 ALA H 1.0 2.031 3.771 304 295 C 39 ALA H C 48 GLN H 1.0 2.282 4.238 305 296 C 39 ALA H C 49 TYR HA 1.0 2.446 4.542 306 297 C 40 GLU H C 39 ALA HA 1.0 2.077 3.857 307 298 C 39 ALA HB% C 40 GLU H 1.0 2.405 4.467 308 299 C 41 PHE H C 41 PHE HBy 1.0 2.422 4.498 309 300 C 41 PHE H C 41 PHE HBx 1.0 2.194 4.076 310 301 C 41 PHE H C 41 PHE HD% 1.0 2.408 4.472 311 302 C 41 PHE H C 41 PHE HA 1.0 1.828 3.394 312 303 C 42 ASP H C 41 PHE HBy 1.0 2.255 4.189 313 304 C 42 ASP H C 41 PHE HBx 1.0 2.279 4.233 314 305 C 41 PHE HBx C 43 GLY H 1.0 2.336 5.500 315 306 C 42 ASP H C 42 ASP HA 1.0 2.043 3.793 316 307 C 42 ASP H C 42 ASP HBx 1.0 2.379 4.419 317 308 C 43 GLY H C 42 ASP HBx 1.0 2.129 3.955 318 309 C 43 GLY H C 25 PRO HD2 1.0 2.421 4.995 319 310 C 43 GLY H C 42 ASP HA 1.0 1.764 3.276 320 311 C 43 GLY H C 43 GLY HAy 1.0 1.976 3.670 321 312 C 43 GLY H C 43 GLY HAx 1.0 1.971 3.661 322 313 C 45 TYR H C 44 PRO HA 1.0 1.967 4.153 323 314 C 45 TYR H C 45 TYR HBy 1.0 2.131 3.957 324 315 C 45 TYR H C 45 TYR HD% 1.0 2.260 4.196 325 316 C 46 ALA H C 45 TYR HA 1.0 1.871 3.475 326 317 C 46 ALA HA C 46 ALA H 1.0 2.246 4.170 327 318 C 46 ALA H C 46 ALA HB% 1.0 1.797 3.337 328 319 C 47 ASP H C 46 ALA HA 1.0 1.721 3.195 329 320 C 47 ASP H C 46 ALA HB% 1.0 1.913 3.551 330 321 C 47 ASP HA C 47 ASP H 1.0 2.305 4.281 331 322 C 47 ASP H C 47 ASP HB3 1.0 1.921 3.567 332 322 C 47 ASP H C 47 ASP HB2 1.0 1.921 3.567 333 323 C 39 ALA HB% C 48 GLN H 1.0 2.257 4.191 334 324 C 47 ASP HA C 48 GLN H 1.0 2.073 3.849 335 325 C 48 GLN H C 48 GLN HG2 1.0 2.267 4.211 336 326 C 48 GLN HE22 C 48 GLN HG2 1.0 2.408 4.472 337 327 C 48 GLN HE22 C 48 GLN HA 1.0 3.082 5.724 338 328 C 49 TYR H C 49 TYR HBy 1.0 2.087 3.875 339 329 C 49 TYR HA C 50 MET H 1.0 2.189 4.065 340 330 C 51 SER H C 50 MET HA 1.0 1.863 3.459 341 331 C 51 SER H C 51 SER HA 1.0 2.419 4.493 342 332 C 51 SER HBy C 51 SER H 1.0 1.882 3.496 343 333 C 52 ALA H C 51 SER HBx 1.0 1.997 3.709 344 334 C 39 ALA HA C 48 GLN H 1.0 2.400 4.456 345 335 C 55 VAL H C 51 SER HBx 1.0 2.406 4.468 346 336 C 52 ALA H C 51 SER HA 1.0 2.169 4.029 347 337 C 52 ALA H C 52 ALA HB% 1.0 1.830 3.398 348 338 C 53 GLN H C 52 ALA H 1.0 2.334 4.334 349 339 C 53 GLN H C 52 ALA HB% 1.0 1.946 3.614 350 340 C 53 GLN H C 53 GLN HA 1.0 1.991 3.699 351 341 C 53 GLN H C 53 GLN HBy 1.0 1.876 3.484 352 342 C 53 GLN H C 53 GLN HBy 1.0 1.892 3.514 353 343 C 53 GLN H C 53 GLN HG2 1.0 2.189 4.065 354 344 C 53 GLN HG2 C 53 GLN HE21 1.0 2.266 4.210 355 345 C 53 GLN HG2 C 53 GLN HE22 1.0 2.363 4.389 356 346 C 54 THR H C 53 GLN H 1.0 2.035 3.779 357 347 C 54 THR H C 53 GLN HBy 1.0 2.338 4.342 358 348 C 54 THR H C 54 THR HA 1.0 2.144 3.982 359 349 C 54 THR H C 54 THR HB 1.0 1.931 3.585 360 350 C 54 THR H C 54 THR HG2% 1.0 2.394 4.446 361 351 C 54 THR H C 55 VAL H 1.0 2.141 3.975 362 352 C 55 VAL H C 54 THR HA 1.0 2.617 4.861 363 353 C 55 VAL H C 55 VAL HA 1.0 2.386 4.430 364 354 C 55 VAL H C 55 VAL HB 1.0 1.944 3.610 365 355 C 55 VAL H C 55 VAL HGy% 1.0 1.954 3.628 366 356 C 56 ALA H C 55 VAL HGy% 1.0 2.155 4.479 367 357 C 56 ALA H C 55 VAL H 1.0 2.101 3.903 368 358 C 56 ALA H C 56 ALA HA 1.0 1.907 3.541 369 359 C 56 ALA H C 56 ALA HB% 1.0 1.741 3.233 370 360 C 57 VAL H C 55 VAL HA 1.0 2.174 4.036 371 361 C 57 VAL H C 56 ALA HA 1.0 2.345 4.355 372 362 C 57 VAL H C 56 ALA HB% 1.0 2.174 4.038 373 363 C 56 ALA H C 57 VAL H 1.0 2.141 3.977 374 364 C 56 ALA H C 57 VAL HGy% 1.0 2.149 3.991 375 365 C 57 VAL H C 57 VAL HA 1.0 2.193 4.073 376 366 C 57 VAL H C 57 VAL HB 1.0 1.971 3.661 377 367 C 57 VAL H C 57 VAL HGy% 1.0 1.987 3.689 378 368 C 57 VAL H C 57 VAL HGx% 1.0 2.354 4.372 379 369 C 58 PHE H C 56 ALA HA 1.0 2.341 4.347 380 370 C 58 PHE H C 57 VAL HB 1.0 2.086 3.874 381 371 C 57 VAL H C 58 PHE H 1.0 2.030 3.770 382 372 C 58 PHE H C 58 PHE HBx 1.0 1.996 3.708 383 373 C 58 PHE H C 58 PHE HA 1.0 2.176 4.042 384 374 C 59 LYS H C 58 PHE HBx 1.0 2.341 4.349 385 375 C 59 LYS H C 58 PHE HBy 1.0 2.291 4.255 386 376 C 59 LYS H C 56 ALA HA 1.0 2.911 5.407 387 377 C 59 LYS H C 59 LYS HA 1.0 2.046 3.798 388 378 C 59 LYS H C 59 LYS HGy 1.0 2.066 4.336 389 379 C 59 LYS H C 59 LYS HBx 1.0 2.250 4.178 390 380 C 59 LYS H C 59 LYS HGx 1.0 2.429 4.511 391 381 C 61 GLU H C 60 PRO HA 1.0 1.861 3.455 392 382 C 61 GLU H C 61 GLU HA 1.0 2.235 4.151 393 383 C 61 GLU H C 61 GLU HG2 1.0 2.382 4.424 394 384 C 61 GLU H C 61 GLU HB2 1.0 2.336 4.340 395 385 C 62 VAL H C 61 GLU HA 1.0 1.856 3.448 396 386 C 62 VAL H C 61 GLU HG2 1.0 2.442 4.534 397 387 C 62 VAL H C 62 VAL HA 1.0 2.279 4.233 398 388 C 62 VAL HB C 62 VAL H 1.0 2.315 4.299 399 389 C 62 VAL H C 62 VAL HG1% 1.0 1.809 3.859 400 390 C 63 GLY H C 26 ILE HG2% 1.0 2.588 4.806 401 391 C 63 GLY H C 62 VAL H 1.0 2.321 4.311 402 392 C 63 GLY H C 62 VAL HA 1.0 1.844 3.424 403 393 C 63 GLY H C 62 VAL HG1% 1.0 2.051 3.809 404 394 C 63 GLY HAy C 63 GLY H 1.0 2.181 4.051 405 395 C 63 GLY H C 63 GLY HAx 1.0 2.006 3.726 406 396 C 64 GLY H C 61 GLU HB2 1.0 2.199 4.085 407 397 C 64 GLY H C 63 GLY HAy 1.0 2.221 4.125 408 398 C 64 GLY H C 63 GLY H 1.0 2.422 4.498 409 399 C 64 GLY H C 64 GLY HAx 1.0 1.897 3.523 410 400 C 64 GLY H C 64 GLY HAy 1.0 1.920 3.566 411 401 C 65 TYR H C 64 GLY HAx 1.0 2.084 3.870 412 402 C 64 GLY HAy C 65 TYR H 1.0 2.056 3.818 413 403 C 65 TYR HA C 65 TYR H 1.0 2.491 4.627 414 404 C 65 TYR HA C 66 LEU H 1.0 2.032 3.772 415 405 C 66 LEU H C 66 LEU HBy 1.0 2.156 4.004 416 406 C 67 PHE H C 66 LEU HA 1.0 1.942 3.606 417 407 C 67 PHE H C 66 LEU HBx 1.0 2.330 4.328 418 408 C 67 PHE H C 67 PHE HD% 1.0 2.189 4.065 419 409 C 67 PHE H C 67 PHE HA 1.0 2.250 4.180 420 410 C 68 ARG H C 67 PHE HD% 1.0 2.236 4.154 421 411 C 67 PHE HA C 68 ARG H 1.0 2.299 4.269 422 412 C 68 ARG HA C 68 ARG H 1.0 2.523 4.685 423 413 C 69 SER H C 68 ARG HA 1.0 1.971 3.661 424 414 C 69 SER H C 69 SER HA 1.0 2.282 4.238 425 415 C 69 SER H C 69 SER HBx 1.0 2.153 3.999 426 416 C 69 SER H C 74 LEU HDy% 1.0 2.499 4.641 427 417 C 71 TYR H C 71 TYR HA 1.0 2.307 4.285 428 418 C 72 GLY H C 71 TYR H 1.0 2.050 4.306 429 419 C 72 GLY H C 71 TYR HA 1.0 2.302 4.274 430 420 C 72 GLY H C 72 GLY HAx 1.0 2.137 3.967 431 421 C 72 GLY H C 72 GLY HAy 1.0 2.074 3.852 432 422 C 72 GLY H C 73 GLU H 1.0 2.261 4.199 433 423 C 73 GLU H C 73 GLU HBy 1.0 1.984 3.686 434 424 C 73 GLU H C 73 GLU HA 1.0 2.157 4.007 435 425 C 74 LEU H C 73 GLU HGx 1.0 2.524 4.686 436 426 C 74 LEU HDx% C 74 LEU H 1.0 2.070 5.500 437 427 C 75 LEU H C 74 LEU HA 1.0 2.120 3.936 438 428 C 50 MET H C 36 SER HA 1.0 2.516 4.672 439 429 C 58 PHE H C 54 THR HA 1.0 2.262 4.200 440 430 C 76 TYR H C 75 LEU HA 1.0 2.069 3.841 441 431 C 76 TYR H C 75 LEU HDx% 1.0 2.057 3.821 442 432 C 76 TYR H C 76 TYR HA 1.0 2.426 4.504 443 433 C 77 MET H C 76 TYR HA 1.0 1.898 3.526 444 434 C 77 MET H C 76 TYR HD% 1.0 2.288 4.248 445 435 C 77 MET H C 76 TYR HBy 1.0 2.181 4.051 446 436 C 77 MET H C 77 MET HA 1.0 2.453 4.557 447 437 C 78 SER H C 76 TYR HE% 1.0 2.482 5.108 448 438 C 78 SER H C 77 MET HA 1.0 1.720 2.958 449 439 C 78 SER H C 77 MET HE% 1.0 2.255 4.689 450 440 C 79 LYS H C 79 LYS HA 1.0 1.754 3.258 451 441 C 79 LYS HBy C 79 LYS H 1.0 2.092 3.884 452 442 C 80 THR H C 79 LYS HBy 1.0 2.197 4.081 453 443 C 54 THR H C 51 SER H 1.0 2.385 5.500 454 444 C 80 THR H C 79 LYS H 1.0 2.152 3.996 455 445 C 80 THR H C 79 LYS HGy 1.0 1.892 3.514 456 446 C 80 THR H C 80 THR HA 1.0 2.034 3.776 457 447 C 80 THR H C 80 THR HB 1.0 1.877 3.485 458 448 C 80 THR H C 80 THR HG2% 1.0 2.029 3.769 459 449 C 81 ALA H C 80 THR H 1.0 2.193 4.073 460 450 C 81 ALA H C 81 ALA HA 1.0 1.948 3.618 461 451 C 81 ALA H C 81 ALA HB% 1.0 1.835 3.407 462 452 C 81 ALA H C 82 PHE H 1.0 2.130 3.956 463 453 C 81 ALA H C 82 PHE H 1.0 2.077 3.857 464 454 C 82 PHE H C 81 ALA HB% 1.0 1.963 3.647 465 455 C 82 PHE HBx C 82 PHE H 1.0 1.907 3.543 466 456 C 83 GLU H C 81 ALA HB% 1.0 2.421 4.495 467 457 C 83 GLU H C 82 PHE HBy 1.0 2.211 4.105 468 458 C 83 GLU HA C 83 GLU H 1.0 2.043 3.795 469 459 C 81 ALA HA C 84 ALA H 1.0 2.218 5.500 470 460 C 83 GLU H C 84 ALA H 1.0 2.014 3.740 471 461 C 84 ALA H C 84 ALA HA 1.0 1.981 3.679 472 462 C 84 ALA H C 84 ALA HB% 1.0 1.720 3.151 473 463 C 85 ASN H C 84 ALA H 1.0 1.951 3.623 474 464 C 85 ASN H C 84 ALA HB% 1.0 2.080 3.864 475 465 C 85 ASN H C 85 ASN HA 1.0 2.207 4.099 476 466 C 85 ASN HBy C 85 ASN H 1.0 1.992 3.700 477 467 C 85 ASN H C 85 ASN HBx 1.0 2.157 4.007 478 468 C 85 ASN HA C 85 ASN HD21 1.0 2.358 4.380 479 469 C 85 ASN HBy C 85 ASN HD21 1.0 2.512 4.666 480 470 C 86 TYR H C 82 PHE HA 1.0 2.540 4.716 481 471 C 86 TYR H C 85 ASN H 1.0 1.964 3.648 482 472 C 86 TYR H C 85 ASN HBy 1.0 2.310 4.290 483 473 C 86 TYR H C 85 ASN HBx 1.0 2.153 3.997 484 474 C 86 TYR H C 85 ASN H 1.0 1.851 3.439 485 475 C 86 TYR H C 86 TYR HA 1.0 2.129 3.955 486 476 C 86 TYR H C 86 TYR HE% 1.0 2.117 3.931 487 477 C 86 TYR H C 87 THR HG2% 1.0 2.158 4.008 488 478 C 87 THR H C 86 TYR HA 1.0 1.901 3.529 489 479 C 87 THR H C 87 THR HG2% 1.0 2.127 3.951 490 480 C 88 SER H C 88 SER HBy 1.0 1.920 3.566 491 481 C 88 SER H C 88 SER HBx 1.0 1.935 3.593 492 482 C 89 ALA H C 88 SER HA 1.0 2.234 4.150 493 483 C 89 ALA H C 88 SER HBy 1.0 1.805 3.353 494 484 C 89 ALA HA C 89 ALA H 1.0 2.220 4.122 495 485 C 89 ALA HB% C 89 ALA H 1.0 2.032 3.774 496 486 C 89 ALA HB% C 90 SER H 1.0 2.052 3.812 497 487 C 89 ALA H C 90 SER H 1.0 2.283 4.239 498 488 C 89 ALA HA C 90 SER H 1.0 1.917 3.561 499 489 C 90 SER HB3 C 91 GLY H 1.0 1.940 3.604 500 489 C 90 SER HB2 C 91 GLY H 1.0 1.940 3.604 501 490 C 90 SER HA C 91 GLY H 1.0 2.139 3.973 502 491 C 91 GLY HA2 C 91 GLY H 1.0 1.845 3.427 503 492 C 91 GLY HA2 C 92 SER H 1.0 2.258 4.194 504 493 C 93 VAL H C 92 SER HA 1.0 2.084 3.872 505 494 C 93 VAL H C 93 VAL HB 1.0 2.514 4.668 506 495 C 93 VAL H C 93 VAL HGx% 1.0 2.191 4.069 507 496 C 93 VAL H C 93 VAL HA 1.0 2.681 4.979 508 497 C 93 VAL H C 95 ASN HD22 1.0 2.479 4.603 509 498 C 94 ALA H C 93 VAL HA 1.0 2.008 3.730 510 499 C 94 ALA H C 94 ALA HB% 1.0 2.061 3.829 511 500 C 95 ASN H C 94 ALA HB% 1.0 2.640 4.902 512 501 C 95 ASN H C 94 ALA HA 1.0 2.076 3.856 513 502 C 95 ASN H C 95 ASN HB2 1.0 2.463 4.573 514 502 C 95 ASN H C 95 ASN HB3 1.0 2.463 4.573 515 503 C 95 ASN H C 95 ASN HA 1.0 2.301 4.273 516 504 C 95 ASN HD21 C 95 ASN HA 1.0 2.312 4.294 517 505 C 96 ALA H C 95 ASN HA 1.0 2.190 4.068 518 506 C 96 ALA H C 95 ASN HB3 1.0 2.517 4.675 519 506 C 96 ALA H C 95 ASN HB2 1.0 2.517 4.675 520 507 C 96 ALA H C 96 ALA HB% 1.0 2.096 3.892 521 508 C 96 ALA HA C 97 GLU H 1.0 1.720 3.106 522 509 C 97 GLU HBy C 97 GLU H 1.0 2.268 4.212 523 510 C 97 GLU H C 97 GLU HBx 1.0 2.063 3.831 524 511 C 97 GLU H C 97 GLU HGy 1.0 2.363 4.389 525 511 C 97 GLU H C 97 GLU HGx 1.0 2.363 4.389 526 512 C 98 THR H C 95 ASN HA 1.0 2.342 4.348 527 513 C 98 THR H C 97 GLU HGy 1.0 2.488 4.620 528 513 C 98 THR H C 97 GLU HGx 1.0 2.488 4.620 529 514 C 98 THR H C 97 GLU HA 1.0 2.200 4.086 530 515 C 98 THR H C 98 THR HB 1.0 2.222 4.126 531 516 C 99 ALA H C 99 ALA HB% 1.0 2.009 3.731 532 517 C 99 ALA HA C 100 ASP H 1.0 2.237 4.155 533 518 C 100 ASP H C 100 ASP HB3 1.0 2.036 3.780 534 518 C 100 ASP H C 100 ASP HB2 1.0 2.036 3.780 535 519 C 100 ASP HA C 101 LYS H 1.0 2.178 4.046 536 520 C 100 ASP HB2 C 101 LYS H 1.0 2.565 4.763 537 520 C 100 ASP HB3 C 101 LYS H 1.0 2.565 4.763 538 521 C 101 LYS H C 101 LYS HA 1.0 3.098 5.754 539 522 C 101 LYS H C 101 LYS HBy 1.0 1.983 3.683 540 522 C 101 LYS H C 101 LYS HBx 1.0 1.983 3.683 541 523 C 101 LYS H C 101 LYS HG2 1.0 2.517 4.673 542 524 C 103 SER HA C 103 SER H 1.0 1.912 3.552 543 525 C 103 SER H C 103 SER HB3 1.0 1.972 3.662 544 525 C 103 SER H C 103 SER HB2 1.0 1.972 3.662 545 526 C 103 SER HA C 104 THR H 1.0 1.964 3.648 546 527 C 101 LYS HG2 C 104 THR H 1.0 2.271 4.217 547 528 C 103 SER HB3 C 104 THR H 1.0 2.048 3.802 548 528 C 103 SER HB2 C 104 THR H 1.0 2.048 3.802 549 529 C 104 THR HG2% C 103 SER H 1.0 2.013 3.739 550 530 C 104 THR HA C 104 THR H 1.0 2.036 3.782 551 531 C 105 ALA H C 105 ALA HB% 1.0 2.162 4.014 552 532 C 105 ALA HA C 106 ARG H 1.0 1.943 3.607 553 533 C 106 ARG H C 106 ARG HBx 1.0 2.389 4.435 554 534 C 106 ARG H C 106 ARG HGy 1.0 2.729 5.069 555 535 C 106 ARG HA C 107 THR H 1.0 1.919 3.563 556 536 C 107 THR HB C 107 THR H 1.0 2.474 4.594 557 537 C 108 ILE H C 107 THR HA 1.0 1.919 3.565 558 538 C 108 ILE H C 108 ILE HB 1.0 2.138 3.972 559 539 C 108 ILE HA C 109 THR H 1.0 1.947 3.615 560 540 C 109 THR H C 109 THR HB 1.0 2.393 4.443 561 541 C 111 THR H C 110 LEU HA 1.0 1.967 3.653 562 542 C 111 THR HA C 112 GLY H 1.0 2.327 4.323 563 543 C 112 GLY H C 112 GLY HAx 1.0 1.989 3.695 564 543 C 112 GLY H C 112 GLY HAy 1.0 1.989 3.695 565 544 C 112 GLY HAx C 113 ALA H 1.0 2.033 3.775 566 545 C 113 ALA HB% C 113 ALA H 1.0 2.374 4.408 567 546 C 113 ALA H C 113 ALA HA 1.0 2.417 4.489 568 547 C 114 VAL H C 113 ALA HA 1.0 2.145 3.983 569 548 C 116 GLY H C 115 THR HA 1.0 2.242 4.162 570 549 C 116 GLY H C 116 GLY HA3 1.0 2.236 4.152 571 549 C 116 GLY H C 116 GLY HA2 1.0 2.236 4.152 572 550 C 117 SER H C 117 SER HA 1.0 1.720 3.047 573 551 C 117 SER H C 117 SER HBy 1.0 1.753 3.255 574 552 C 118 ALA H C 118 ALA HB% 1.0 1.960 3.640 575 553 C 118 ALA HA C 119 SER H 1.0 2.166 4.022 576 554 C 119 SER H C 119 SER HB3 1.0 2.372 4.404 577 555 C 120 PHE H C 119 SER HA 1.0 2.460 4.568 578 556 C 120 PHE H C 120 PHE HD% 1.0 2.337 4.341 579 557 C 121 ASP HA C 122 GLY H 1.0 2.382 4.424 580 558 C 122 GLY HA2 C 122 GLY H 1.0 2.187 4.061 581 558 C 122 GLY HA3 C 122 GLY H 1.0 2.187 4.061 582 559 C 124 ALA H C 123 SER HA 1.0 2.339 4.345 583 560 C 124 ALA H C 124 ALA HB% 1.0 2.056 3.818 584 561 C 124 ALA HA C 125 ASN H 1.0 2.330 4.328 585 562 C 124 ALA HB% C 125 ASN H 1.0 2.457 4.563 586 563 C 125 ASN HD21 C 125 ASN HBy 1.0 2.376 4.414 587 564 C 127 THR H C 127 THR HA 1.0 1.812 3.364 588 565 C 127 THR H C 127 THR HG2% 1.0 2.128 3.952 589 566 C 128 ILE H C 127 THR HA 1.0 2.087 3.875 590 567 C 129 GLU H C 127 THR HB 1.0 2.134 3.962 591 568 C 129 GLU H C 129 GLU HA 1.0 2.608 4.842 592 569 C 131 THR HB C 131 THR H 1.0 2.038 3.786 593 570 C 134 SER H C 133 GLY HA3 1.0 1.947 3.615 594 571 C 134 SER H C 134 SER HA 1.0 2.081 3.865 595 572 C 2 ALA H C 3 ASN H 1.0 1.816 3.372 596 573 C 5 ASN H C 6 PHE H 1.0 2.127 3.951 597 574 C 10 TRP H C 9 SER H 1.0 2.107 3.913 598 575 C 22 SER H C 68 ARG H 1.0 2.391 4.441 599 576 C 24 LEU H C 66 LEU H 1.0 2.467 5.500 600 577 C 38 ASN H C 30 LYS H 1.0 2.209 5.500 601 578 C 30 LYS H C 31 TYR H 1.0 2.233 4.147 602 579 C 34 ASP H C 35 GLY H 1.0 2.060 3.826 603 580 C 53 GLN H C 52 ALA H 1.0 2.383 4.425 604 581 C 54 THR H C 53 GLN H 1.0 2.512 4.664 605 582 C 55 VAL H C 52 ALA H 1.0 2.385 4.429 606 583 C 54 THR H C 55 VAL H 1.0 2.449 4.549 607 584 C 54 THR H C 56 ALA H 1.0 2.570 4.772 608 585 C 56 ALA H C 55 VAL H 1.0 2.236 4.152 609 586 C 56 ALA H C 57 VAL H 1.0 2.221 4.125 610 587 C 57 VAL H C 59 LYS H 1.0 2.658 4.936 611 588 C 57 VAL H C 58 PHE H 1.0 2.225 4.133 612 589 C 59 LYS H C 58 PHE H 1.0 2.323 4.315 613 590 C 64 GLY H C 63 GLY H 1.0 2.040 3.788 614 591 C 67 PHE H C 75 LEU H 1.0 2.526 5.190 615 592 C 70 GLN HE21 C 70 GLN H 1.0 2.556 4.748 616 592 C 70 GLN HE22 C 70 GLN H 1.0 2.556 4.748 617 593 C 71 TYR H C 70 GLN H 1.0 2.423 4.499 618 594 C 69 SER H C 72 GLY H 1.0 2.693 5.001 619 595 C 72 GLY H C 71 TYR H 1.0 2.034 3.778 620 596 C 72 GLY H C 73 GLU H 1.0 2.204 4.092 621 597 C 80 THR H C 79 LYS H 1.0 1.800 4.134 622 598 C 81 ALA H C 80 THR H 1.0 2.133 3.961 623 599 C 85 ASN H C 84 ALA H 1.0 1.914 3.554 624 600 C 86 TYR H C 84 ALA H 1.0 1.975 3.667 625 601 C 86 TYR H C 85 ASN H 1.0 2.012 3.736 626 602 C 89 ALA H C 90 SER H 1.0 2.136 3.966 627 603 C 90 SER H C 91 GLY H 1.0 2.306 4.282 628 604 C 92 SER H C 91 GLY H 1.0 2.115 3.929 629 605 C 96 ALA H C 95 ASN H 1.0 2.360 4.382 630 606 C 99 ALA H C 97 GLU H 1.0 1.908 3.544 631 607 C 99 ALA H C 98 THR H 1.0 2.163 4.017 632 608 C 105 ALA H C 104 THR H 1.0 2.265 4.207 633 609 C 106 ARG H C 108 ILE H 1.0 3.200 5.942 634 610 C 108 ILE H C 109 THR H 1.0 2.248 4.174 635 611 C 110 LEU H C 108 ILE H 1.0 2.093 3.887 636 612 C 110 LEU H C 109 THR H 1.0 2.465 4.577 637 613 C 112 GLY H C 113 ALA H 1.0 2.357 4.377 638 614 C 118 ALA H C 119 SER H 1.0 2.402 4.462 639 615 C 117 SER H C 119 SER H 1.0 2.298 4.266 640 616 C 20 TYR HA C 14 LYS HA 1.0 1.800 6.907 641 617 C 16 ALA HB% C 16 ALA HA 1.0 2.582 3.874 642 618 C 21 VAL HA C 69 SER HA 1.0 2.478 3.718 643 619 C 28 ALA HB% C 28 ALA HA 1.0 1.800 4.704 644 620 C 28 ALA HB% C 29 ILE HD1% 1.0 3.169 5.253 645 621 C 29 ILE HA C 39 ALA HA 1.0 1.846 5.500 646 622 C 47 ASP HA C 40 GLU HA 1.0 2.690 4.034 647 623 C 54 THR HA C 57 VAL HB 1.0 4.288 6.432 648 624 C 53 GLN HA C 56 ALA HB% 1.0 2.650 3.976 649 625 C 55 VAL HA C 58 PHE HBx 1.0 1.800 6.810 650 626 C 83 GLU HA C 86 TYR HB2 1.0 4.485 6.727 651 627 C 81 ALA HA C 84 ALA HB% 1.0 2.725 5.500 652 628 C 118 ALA HA C 118 ALA HB% 1.0 1.834 8.000 653 629 C 10 TRP HA C 10 TRP HBx 1.0 1.800 6.800 654 630 C 11 PRO HA C 11 PRO HBx 1.0 2.177 3.629 655 631 C 20 TYR HE% C 12 LEU HDy% 1.0 3.182 5.500 656 632 C 18 GLY HAy C 17 ASP HBy 1.0 2.677 4.870 657 633 C 18 GLY HAx C 19 VAL HB 1.0 3.770 6.284 658 634 C 19 VAL HG1% C 69 SER HA 1.0 3.332 6.054 659 635 C 12 LEU HBy C 20 TYR HD% 1.0 3.767 6.779 660 636 C 21 VAL HG11 C 21 VAL HA 1.0 2.909 4.849 661 637 C 21 VAL HG11 C 67 PHE HE% 1.0 2.603 5.500 662 638 C 21 VAL HG21 C 69 SER HBy 1.0 2.029 3.383 663 639 C 21 VAL HG21 C 69 SER HA 1.0 3.247 5.413 664 640 C 21 VAL HG11 C 69 SER HA 1.0 1.800 7.526 665 641 C 23 ALA HB% C 66 LEU HA 1.0 3.337 6.061 666 642 C 24 LEU HDx% C 45 TYR HE% 1.0 3.300 5.500 667 643 C 24 LEU HDy% C 45 TYR HE% 1.0 2.854 4.756 668 644 C 24 LEU HDy% C 45 TYR HBx 1.0 3.335 5.559 669 644 C 24 LEU HDy% C 45 TYR HBy 1.0 3.335 5.559 670 645 C 25 PRO HA C 26 ILE HG12 1.0 3.065 5.109 671 646 C 26 ILE HD1% C 26 ILE HG2% 1.0 2.099 3.499 672 647 C 26 ILE HD1% C 26 ILE HB 1.0 2.146 3.576 673 648 C 26 ILE HA C 26 ILE HB 1.0 2.679 4.465 674 649 C 26 ILE HG2% C 63 GLY HAx 1.0 3.794 6.324 675 650 C 29 ILE HG1x C 29 ILE HB 1.0 2.325 3.875 676 651 C 29 ILE HA C 29 ILE HB 1.0 2.589 4.315 677 652 C 39 ALA HB% C 29 ILE HD1% 1.0 2.252 3.754 678 653 C 29 ILE HD1% C 62 VAL HG21 1.0 2.228 3.712 679 654 C 15 ASP HBy C 17 ASP H 1.0 2.074 5.500 680 655 C 15 ASP HBy C 18 GLY H 1.0 2.177 5.500 681 656 C 36 SER H C 34 ASP HBx 1.0 2.309 5.500 682 657 C 41 PHE H C 27 LYS HBy 1.0 2.360 4.382 683 658 C 17 ASP H C 19 VAL HG2% 1.0 2.455 4.561 684 659 C 21 VAL H C 13 TYR H 1.0 2.362 5.500 685 660 C 24 LEU HBy C 45 TYR HBx 1.0 2.683 5.500 686 660 C 24 LEU HBx C 45 TYR HBx 1.0 2.683 5.500 687 660 C 45 TYR HBy C 24 LEU HBx 1.0 2.683 5.500 688 660 C 45 TYR HBy C 24 LEU HBy 1.0 2.683 5.500 689 661 C 15 ASP H C 19 VAL H 1.0 2.275 5.500 690 662 C 18 GLY H C 16 ALA H 1.0 2.166 5.500 691 663 C 37 ALA HA C 31 TYR HA 1.0 2.582 5.500 692 664 C 69 SER H C 74 LEU H 1.0 2.451 5.051 693 665 C 28 ALA HA C 62 VAL HA 1.0 3.474 5.500 694 666 C 29 ILE HB C 62 VAL HG21 1.0 2.521 5.500 695 667 C 34 ASP HA C 34 ASP HBx 1.0 2.028 3.380 696 668 C 34 ASP HBy C 34 ASP HA 1.0 1.963 3.271 697 669 C 37 ALA HB% C 31 TYR HA 1.0 1.948 5.500 698 670 C 38 ASN HBx C 30 LYS HBy 1.0 2.295 3.825 699 670 C 38 ASN HBx C 30 LYS HBx 1.0 2.295 3.825 700 671 C 38 ASN HBx C 49 TYR HA 1.0 1.903 5.500 701 672 C 49 TYR HA C 38 ASN HBy 1.0 2.403 4.005 702 673 C 42 ASP HA C 27 LYS HGy 1.0 5.271 8.000 703 673 C 42 ASP HA C 27 LYS HGx 1.0 5.271 8.000 704 674 C 42 ASP HA C 42 ASP HBx 1.0 2.698 4.496 705 675 C 24 LEU HA C 45 TYR HE% 1.0 3.874 6.456 706 676 C 45 TYR HD% C 45 TYR HA 1.0 2.946 4.910 707 677 C 45 TYR HD% C 46 ALA HB% 1.0 3.543 5.905 708 678 C 46 ALA HA C 46 ALA HB% 1.0 2.167 3.611 709 679 C 48 GLN HA C 49 TYR HD% 1.0 3.236 5.394 710 680 C 36 SER HB2 C 51 SER HBx 1.0 2.372 5.500 711 680 C 51 SER HBy C 36 SER HB2 1.0 2.372 5.500 712 681 C 58 PHE HA C 57 VAL HB 1.0 2.423 4.039 713 682 C 56 ALA HA C 59 LYS HGy 1.0 2.437 5.500 714 683 C 59 LYS HA C 59 LYS HGy 1.0 2.764 4.608 715 684 C 61 GLU HA C 62 VAL HG1% 1.0 3.692 6.154 716 685 C 63 GLY HAx C 64 GLY HAx 1.0 3.308 5.512 717 686 C 64 GLY HAy C 63 GLY HAx 1.0 3.712 6.188 718 687 C 67 PHE HBy C 21 VAL HG11 1.0 3.466 5.776 719 688 C 66 LEU HBx C 67 PHE HD% 1.0 3.436 5.728 720 689 C 67 PHE HD% C 66 LEU HA 1.0 3.595 5.991 721 690 C 36 SER HA C 55 VAL HGx% 1.0 2.014 5.500 722 690 C 36 SER HA C 55 VAL HGy% 1.0 2.014 5.500 723 691 C 74 LEU HDx% C 68 ARG HGx 1.0 3.488 5.814 724 692 C 74 LEU HDy% C 68 ARG HGx 1.0 2.112 3.520 725 693 C 71 TYR HB3 C 71 TYR HA 1.0 2.340 3.900 726 694 C 71 TYR HB2 C 71 TYR HA 1.0 2.714 4.524 727 695 C 77 MET HBx C 78 SER HA 1.0 4.460 7.434 728 696 C 79 LYS HA C 79 LYS HGy 1.0 3.081 5.135 729 697 C 82 PHE HBy C 83 GLU HB3 1.0 3.002 5.004 730 697 C 83 GLU HB2 C 82 PHE HBy 1.0 3.002 5.004 731 698 C 84 ALA HA C 83 GLU HB3 1.0 4.222 7.036 732 698 C 83 GLU HB2 C 84 ALA HA 1.0 4.222 7.036 733 699 C 86 TYR HB2 C 87 THR HA 1.0 2.700 4.500 734 700 C 88 SER HBy C 88 SER HA 1.0 3.227 5.379 735 701 C 88 SER HBx C 88 SER HA 1.0 2.824 4.706 736 702 C 89 ALA HA C 93 VAL HGx% 1.0 3.383 5.639 737 703 C 92 SER HBy C 97 GLU HGy 1.0 3.584 5.974 738 703 C 92 SER HBy C 97 GLU HGx 1.0 3.584 5.974 739 704 C 77 MET HA C 81 ALA HB% 1.0 2.452 5.570 740 705 C 55 VAL HA C 55 VAL HGx% 1.0 2.908 4.846 741 706 C 21 VAL HG21 C 21 VAL HA 1.0 2.918 4.862 742 707 C 15 ASP HBy C 16 ALA H 1.0 1.898 3.524 743 708 C 62 VAL H C 61 GLU HB2 1.0 1.810 3.362 744 709 C 20 TYR HE% C 21 VAL H 1.0 2.292 4.258 745 710 C 28 ALA H C 27 LYS H 1.0 1.738 3.228 746 711 C 33 ASN H C 34 ASP H 1.0 1.720 3.191 747 712 C 53 GLN H C 52 ALA H 1.0 1.761 3.271 748 713 C 17 ASP H C 16 ALA H 1.0 2.066 3.836 749 714 C 17 ASP H C 18 GLY H 1.0 2.117 3.931 750 715 C 34 ASP H C 35 GLY H 1.0 1.720 2.988 751 716 C 17 ASP H C 18 GLY H 1.0 1.720 2.940 752 717 C 72 GLY H C 71 TYR H 1.0 1.738 3.226 753 718 C 72 GLY H C 73 GLU H 1.0 1.830 3.398 754 719 C 21 VAL H C 20 TYR HBx 1.0 2.031 3.771 755 720 C 34 ASP H C 32 ALA HB% 1.0 1.977 3.671 756 721 C 66 LEU HBx C 66 LEU H 1.0 2.055 3.817 757 722 C 79 LYS H C 79 LYS HGy 1.0 2.021 3.753 758 723 C 70 GLN H C 69 SER HBy 1.0 1.866 3.466 759 724 C 75 LEU H C 74 LEU HG 1.0 2.237 4.153 760 725 C 33 ASN H C 34 ASP H 1.0 1.720 3.106 761 726 C 17 ASP H C 18 GLY H 1.0 1.831 3.401 762 727 C 67 PHE H C 66 LEU HDy% 1.0 2.006 3.726 763 728 C 28 ALA H C 27 LYS H 1.0 2.048 3.802 764 729 C 30 LYS H C 29 ILE HG1y 1.0 2.091 3.883 765 730 C 17 ASP H C 18 GLY H 1.0 1.891 3.511 766 731 C 38 ASN H C 38 ASN HBx 1.0 1.935 3.595 767 732 C 28 ALA H C 26 ILE HG2% 1.0 2.173 4.035 768 733 C 59 LYS HBx C 55 VAL HGx% 1.0 1.720 2.766 769 733 C 55 VAL HGx% C 59 LYS HBy 1.0 1.720 2.766 770 734 C 12 LEU HDx% C 24 LEU HDx% 1.0 2.079 5.472 771 735 C 66 LEU HDx% C 75 LEU H 1.0 2.071 5.500 772 736 C 37 ALA HA C 32 ALA H 1.0 2.183 5.500 773 737 C 67 PHE H C 24 LEU HDx% 1.0 2.300 4.770 774 738 C 27 LYS HBy C 27 LYS H 1.0 2.196 4.078 775 739 C 77 MET H C 26 ILE HD1% 1.0 2.466 4.580 776 740 C 81 ALA H C 80 THR H 1.0 1.735 3.221 777 741 C 88 SER HBx C 84 ALA HA 1.0 2.112 3.520 778 742 C 80 THR H C 79 LYS H 1.0 1.854 3.444 779 743 C 89 ALA H C 90 SER H 1.0 1.720 3.116 780 744 C 88 SER H C 87 THR HA 1.0 2.251 4.181 781 745 C 15 ASP HBy C 17 ASP H 1.0 2.074 5.500 782 746 C 16 ALA H C 19 VAL HB 1.0 2.229 4.139 783 747 C 83 GLU H C 79 LYS HBy 1.0 2.008 4.228 784 748 C 89 ALA H C 90 SER H 1.0 1.845 3.425 785 749 C 83 GLU HA C 87 THR H 1.0 2.162 4.014 786 750 C 14 LYS H C 87 THR H 1.0 1.727 3.209 787 751 C 14 LYS H C 87 THR H 1.0 1.720 3.145 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 C 35 GLY H C 32 ALA O 1.0 1.730 2.700 2 2 C 38 ASN H C 30 LYS O 1.0 1.730 2.700 3 3 C 30 LYS O C 38 ASN N 1.0 2.516 3.927 4 4 C 58 PHE H C 54 THR O 1.0 1.730 2.700 5 5 C 59 LYS H C 55 VAL O 1.0 1.730 2.700 6 6 C 64 GLY H C 61 GLU O 1.0 1.730 2.700 7 7 C 69 SER H C 73 GLU O 1.0 1.730 2.700 8 8 C 73 GLU O C 69 SER N 1.0 2.516 3.927 9 9 C 32 ALA O C 35 GLY N 1.0 2.516 3.927 10 10 C 38 ASN O C 30 LYS N 1.0 2.516 3.927 11 11 C 30 LYS H C 38 ASN O 1.0 1.730 2.700 12 12 C 61 GLU O C 64 GLY N 1.0 2.516 3.927 13 13 C 37 ALA O C 50 MET N 1.0 2.516 3.927 14 14 C 48 GLN N C 39 ALA O 1.0 2.516 3.927 15 15 C 48 GLN H C 39 ALA O 1.0 2.516 3.927 16 16 C 54 THR O C 58 PHE N 1.0 2.516 3.927 17 17 C 36 SER O C 32 ALA N 1.0 2.516 3.927 18 18 C 32 ALA H C 36 SER O 1.0 1.730 2.700 19 19 C 56 ALA H C 52 ALA O 1.0 1.730 2.700 20 20 C 52 ALA O C 56 ALA N 1.0 2.516 3.927 21 21 C 82 PHE H C 78 SER O 1.0 1.730 2.700 22 22 C 78 SER O C 82 PHE N 1.0 2.516 3.927 23 23 C 79 LYS O C 83 GLU N 1.0 2.516 3.927 24 24 C 83 GLU H C 79 LYS O 1.0 1.730 2.700 25 25 C 15 ASP H C 19 VAL O 1.0 1.730 2.700 26 26 C 19 VAL O C 15 ASP N 1.0 2.516 3.927 27 27 C 55 VAL O C 59 LYS N 1.0 2.516 3.927 28 28 C 22 SER H C 68 ARG O 1.0 1.730 2.700 29 29 C 54 THR H C 51 SER O 1.0 1.730 2.700 30 30 C 55 VAL H C 51 SER O 1.0 1.730 2.700 31 31 C 57 VAL H C 53 GLN O 1.0 1.730 2.700 32 32 C 63 GLY H C 26 ILE O 1.0 1.730 2.700 33 33 C 68 ARG H C 22 SER O 1.0 1.730 2.700 34 34 C 41 PHE H C 46 ALA O 1.0 1.730 2.700 35 35 C 46 ALA O C 41 PHE N 1.0 2.516 3.927 36 36 C 84 ALA H C 80 THR O 1.0 1.730 2.700 37 37 C 85 ASN H C 81 ALA O 1.0 1.730 2.700 38 38 C 86 TYR H C 82 PHE O 1.0 1.730 2.700 39 39 C 68 ARG O C 22 SER N 1.0 2.516 3.927 40 40 C 51 SER O C 54 THR N 1.0 2.516 3.927 41 41 C 51 SER O C 55 VAL N 1.0 2.516 3.927 42 42 C 53 GLN O C 57 VAL N 1.0 2.516 3.927 43 43 C 26 ILE O C 63 GLY N 1.0 2.516 3.927 44 44 C 66 LEU H C 24 LEU O 1.0 1.730 2.900 45 45 C 24 LEU O C 66 LEU N 1.0 2.516 4.127 46 46 C 22 SER O C 68 ARG N 1.0 2.516 3.927 47 47 C 80 THR O C 84 ALA N 1.0 2.516 3.927 48 48 C 81 ALA O C 85 ASN N 1.0 2.516 3.927 49 49 C 82 PHE O C 86 TYR N 1.0 2.516 3.927 50 50 C 77 MET H C 65 TYR O 1.0 1.730 2.700 51 51 C 65 TYR O C 77 MET N 1.0 2.516 3.927 52 52 C 65 TYR H C 77 MET O 1.0 1.730 2.700 53 53 C 77 MET O C 65 TYR N 1.0 2.516 3.927 54 54 C 13 TYR H C 21 VAL O 1.0 1.730 2.700 55 55 C 13 TYR O C 21 VAL N 1.0 2.516 3.927 56 56 C 28 ALA H C 40 GLU O 1.0 1.730 2.700 57 57 C 40 GLU O C 28 ALA N 1.0 2.516 3.927 58 58 C 24 LEU H C 66 LEU O 1.0 1.730 2.700 59 59 C 66 LEU O C 24 LEU N 1.0 2.516 3.927 60 60 C 39 ALA H C 48 GLN O 1.0 1.730 2.700 61 61 C 48 GLN O C 39 ALA N 1.0 2.516 3.927 62 62 C 75 LEU H C 67 PHE O 1.0 1.730 2.700 63 63 C 67 PHE O C 75 LEU N 1.0 2.516 3.927 64 64 C 67 PHE H C 75 LEU O 1.0 1.730 2.700 65 65 C 75 LEU O C 67 PHE N 1.0 2.516 3.927 66 66 C 87 THR H C 83 GLU O 1.0 1.730 2.700 67 67 C 83 GLU O C 87 THR N 1.0 2.516 3.927 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 C 9 SER C C 10 TRP N C 10 TRP CA C 10 TRP C 1.0 -143.00 -63.00 PHI 2 2 C 10 TRP N C 10 TRP CA C 10 TRP C C 11 PRO N 1.0 91.41 171.41 PSI 3 3 C 10 TRP C C 11 PRO N C 11 PRO CA C 11 PRO C 1.0 -104.58 -24.58 PHI 4 4 C 11 PRO N C 11 PRO CA C 11 PRO C C 12 LEU N 1.0 103.61 183.61 PSI 5 5 C 11 PRO C C 12 LEU N C 12 LEU CA C 12 LEU C 1.0 -144.60 -64.60 PHI 6 6 C 12 LEU N C 12 LEU CA C 12 LEU C C 13 TYR N 1.0 89.78 179.78 PSI 7 7 C 12 LEU C C 13 TYR N C 13 TYR CA C 13 TYR C 1.0 -173.88 -93.88 PHI 8 8 C 13 TYR N C 13 TYR CA C 13 TYR C C 14 LYS N 1.0 117.10 197.10 PSI 9 9 C 13 TYR C C 14 LYS N C 14 LYS CA C 14 LYS C 1.0 -156.26 -76.26 PHI 10 10 C 14 LYS N C 14 LYS CA C 14 LYS C C 15 ASP N 1.0 102.56 182.56 PSI 11 11 C 14 LYS C C 15 ASP N C 15 ASP CA C 15 ASP C 1.0 -130.00 -50.00 PHI 12 12 C 15 ASP N C 15 ASP CA C 15 ASP C C 16 ALA N 1.0 139.00 219.00 PSI 13 13 C 15 ASP C C 16 ALA N C 16 ALA CA C 16 ALA C 1.0 -106.00 -26.00 PHI 14 14 C 16 ALA N C 16 ALA CA C 16 ALA C C 17 ASP N 1.0 -60.00 20.00 PSI 15 15 C 16 ALA C C 17 ASP N C 17 ASP CA C 17 ASP C 1.0 -127.00 -47.00 PHI 16 16 C 17 ASP N C 17 ASP CA C 17 ASP C C 18 GLY N 1.0 -40.00 40.00 PSI 17 17 C 17 ASP C C 18 GLY N C 18 GLY CA C 18 GLY C 1.0 45.00 125.00 PHI 18 18 C 18 GLY N C 18 GLY CA C 18 GLY C C 19 VAL N 1.0 -35.00 45.00 PSI 19 19 C 18 GLY C C 19 VAL N C 19 VAL CA C 19 VAL C 1.0 -116.00 -36.00 PHI 20 20 C 19 VAL N C 19 VAL CA C 19 VAL C C 20 TYR N 1.0 100.00 180.00 PSI 21 21 C 19 VAL C C 20 TYR N C 20 TYR CA C 20 TYR C 1.0 -154.00 -74.00 PHI 22 22 C 20 TYR N C 20 TYR CA C 20 TYR C C 21 VAL N 1.0 96.00 176.00 PSI 23 23 C 20 TYR C C 21 VAL N C 21 VAL CA C 21 VAL C 1.0 -148.00 -68.00 PHI 24 24 C 21 VAL N C 21 VAL CA C 21 VAL C C 22 SER N 1.0 90.00 170.00 PSI 25 25 C 22 SER C C 23 ALA N C 23 ALA CA C 23 ALA C 1.0 -187.00 -107.00 PHI 26 26 C 23 ALA N C 23 ALA CA C 23 ALA C C 24 LEU N 1.0 118.00 198.00 PSI 27 27 C 23 ALA C C 24 LEU N C 24 LEU CA C 24 LEU C 1.0 -116.00 -36.00 PHI 28 28 C 24 LEU N C 24 LEU CA C 24 LEU C C 25 PRO N 1.0 99.00 179.00 PSI 29 29 C 24 LEU C C 25 PRO N C 25 PRO CA C 25 PRO C 1.0 -103.64 -23.64 PHI 30 30 C 25 PRO N C 25 PRO CA C 25 PRO C C 26 ILE N 1.0 102.00 182.00 PSI 31 31 C 25 PRO C C 26 ILE N C 26 ILE CA C 26 ILE C 1.0 -132.00 -52.00 PHI 32 32 C 26 ILE N C 26 ILE CA C 26 ILE C C 27 LYS N 1.0 87.00 167.00 PSI 33 33 C 26 ILE C C 27 LYS N C 27 LYS CA C 27 LYS C 1.0 -118.00 -38.00 PHI 34 34 C 27 LYS N C 27 LYS CA C 27 LYS C C 28 ALA N 1.0 -75.00 5.00 PSI 35 35 C 27 LYS C C 28 ALA N C 28 ALA CA C 28 ALA C 1.0 -198.00 -118.00 PHI 36 36 C 28 ALA N C 28 ALA CA C 28 ALA C C 29 ILE N 1.0 116.00 196.00 PSI 37 37 C 28 ALA C C 29 ILE N C 29 ILE CA C 29 ILE C 1.0 -166.00 -86.00 PHI 38 38 C 29 ILE N C 29 ILE CA C 29 ILE C C 30 LYS N 1.0 90.00 170.00 PSI 39 39 C 29 ILE C C 30 LYS N C 30 LYS CA C 30 LYS C 1.0 -153.00 -73.00 PHI 40 40 C 30 LYS N C 30 LYS CA C 30 LYS C C 31 TYR N 1.0 62.00 192.00 PSI 41 41 C 30 LYS C C 31 TYR N C 31 TYR CA C 31 TYR C 1.0 -147.00 -17.00 PHI 42 42 C 31 TYR N C 31 TYR CA C 31 TYR C C 32 ALA N 1.0 79.00 189.00 PSI 43 43 C 31 TYR C C 32 ALA N C 32 ALA CA C 32 ALA C 1.0 -133.00 -53.00 PHI 44 44 C 32 ALA N C 32 ALA CA C 32 ALA C C 33 ASN N 1.0 127.00 207.00 PSI 45 45 C 32 ALA C C 33 ASN N C 33 ASN CA C 33 ASN C 1.0 -104.07 -24.07 PHI 46 46 C 33 ASN N C 33 ASN CA C 33 ASN C C 34 ASP N 1.0 -61.49 18.51 PSI 47 47 C 33 ASN C C 34 ASP N C 34 ASP CA C 34 ASP C 1.0 -127.45 -47.45 PHI 48 48 C 34 ASP N C 34 ASP CA C 34 ASP C C 35 GLY N 1.0 -37.08 42.92 PSI 49 49 C 35 GLY C C 36 SER N C 36 SER CA C 36 SER C 1.0 -116.16 -36.16 PHI 50 50 C 36 SER N C 36 SER CA C 36 SER C C 37 ALA N 1.0 110.01 190.01 PSI 51 51 C 36 SER C C 37 ALA N C 37 ALA CA C 37 ALA C 1.0 -181.08 -101.08 PHI 52 52 C 37 ALA N C 37 ALA CA C 37 ALA C C 38 ASN N 1.0 114.38 194.38 PSI 53 53 C 38 ASN C C 39 ALA N C 39 ALA CA C 39 ALA C 1.0 -139.44 -59.44 PHI 54 54 C 39 ALA N C 39 ALA CA C 39 ALA C C 40 GLU N 1.0 91.74 171.74 PSI 55 55 C 39 ALA C C 40 GLU N C 40 GLU CA C 40 GLU C 1.0 -160.00 -50.00 PHI 56 56 C 40 GLU N C 40 GLU CA C 40 GLU C C 41 PHE N 1.0 90.29 170.29 PSI 57 57 C 40 GLU C C 41 PHE N C 41 PHE CA C 41 PHE C 1.0 -182.85 -62.85 PHI 58 58 C 41 PHE N C 41 PHE CA C 41 PHE C C 42 ASP N 1.0 106.98 186.98 PSI 59 59 C 44 PRO C C 45 TYR N C 45 TYR CA C 45 TYR C 1.0 -148.47 -68.47 PHI 60 60 C 45 TYR N C 45 TYR CA C 45 TYR C C 46 ALA N 1.0 103.40 183.40 PSI 61 61 C 45 TYR C C 46 ALA N C 46 ALA CA C 46 ALA C 1.0 -115.00 -35.00 PHI 62 62 C 46 ALA N C 46 ALA CA C 46 ALA C C 47 ASP N 1.0 115.00 195.00 PSI 63 63 C 48 GLN C C 49 TYR N C 49 TYR CA C 49 TYR C 1.0 -153.71 -73.71 PHI 64 64 C 49 TYR N C 49 TYR CA C 49 TYR C C 50 MET N 1.0 112.99 192.99 PSI 65 65 C 51 SER C C 52 ALA N C 52 ALA CA C 52 ALA C 1.0 -102.54 -22.54 PHI 66 66 C 52 ALA N C 52 ALA CA C 52 ALA C C 53 GLN N 1.0 -75.93 4.07 PSI 67 67 C 52 ALA C C 53 GLN N C 53 GLN CA C 53 GLN C 1.0 -106.12 -26.12 PHI 68 68 C 53 GLN N C 53 GLN CA C 53 GLN C C 54 THR N 1.0 -79.73 0.27 PSI 69 69 C 53 GLN C C 54 THR N C 54 THR CA C 54 THR C 1.0 -106.68 -26.68 PHI 70 70 C 54 THR N C 54 THR CA C 54 THR C C 55 VAL N 1.0 -82.66 -2.66 PSI 71 71 C 54 THR C C 55 VAL N C 55 VAL CA C 55 VAL C 1.0 -101.08 -21.08 PHI 72 72 C 55 VAL N C 55 VAL CA C 55 VAL C C 56 ALA N 1.0 -82.79 -2.79 PSI 73 73 C 55 VAL C C 56 ALA N C 56 ALA CA C 56 ALA C 1.0 -105.22 -25.22 PHI 74 74 C 56 ALA N C 56 ALA CA C 56 ALA C C 57 VAL N 1.0 -78.75 1.25 PSI 75 75 C 56 ALA C C 57 VAL N C 57 VAL CA C 57 VAL C 1.0 -111.00 -31.00 PHI 76 76 C 57 VAL N C 57 VAL CA C 57 VAL C C 58 PHE N 1.0 -76.00 4.00 PSI 77 77 C 57 VAL C C 58 PHE N C 58 PHE CA C 58 PHE C 1.0 -130.05 -50.05 PHI 78 78 C 58 PHE N C 58 PHE CA C 58 PHE C C 59 LYS N 1.0 -39.31 40.69 PSI 79 79 C 60 PRO C C 61 GLU N C 61 GLU CA C 61 GLU C 1.0 -165.97 -75.97 PHI 80 80 C 61 GLU N C 61 GLU CA C 61 GLU C C 62 VAL N 1.0 115.00 195.00 PSI 81 81 C 61 GLU C C 62 VAL N C 62 VAL CA C 62 VAL C 1.0 -97.01 -17.01 PHI 82 82 C 62 VAL N C 62 VAL CA C 62 VAL C C 63 GLY N 1.0 85.71 175.71 PSI 83 83 C 62 VAL C C 63 GLY N C 63 GLY CA C 63 GLY C 1.0 54.00 134.00 PHI 84 84 C 63 GLY N C 63 GLY CA C 63 GLY C C 64 GLY N 1.0 -49.00 31.00 PSI 85 85 C 64 GLY C C 65 TYR N C 65 TYR CA C 65 TYR C 1.0 -148.00 -68.00 PHI 86 86 C 65 TYR N C 65 TYR CA C 65 TYR C C 66 LEU N 1.0 108.00 188.00 PSI 87 87 C 66 LEU C C 67 PHE N C 67 PHE CA C 67 PHE C 1.0 -183.51 -103.51 PHI 88 88 C 67 PHE N C 67 PHE CA C 67 PHE C C 68 ARG N 1.0 123.50 203.50 PSI 89 89 C 67 PHE C C 68 ARG N C 68 ARG CA C 68 ARG C 1.0 -150.80 -70.80 PHI 90 90 C 68 ARG N C 68 ARG CA C 68 ARG C C 69 SER N 1.0 95.67 175.67 PSI 91 91 C 68 ARG C C 69 SER N C 69 SER CA C 69 SER C 1.0 -126.44 -46.44 PHI 92 92 C 69 SER N C 69 SER CA C 69 SER C C 70 GLN N 1.0 137.45 217.45 PSI 93 93 C 69 SER C C 70 GLN N C 70 GLN CA C 70 GLN C 1.0 -105.97 -25.97 PHI 94 94 C 70 GLN N C 70 GLN CA C 70 GLN C C 71 TYR N 1.0 -58.34 21.66 PSI 95 95 C 70 GLN C C 71 TYR N C 71 TYR CA C 71 TYR C 1.0 -136.14 -56.14 PHI 96 96 C 71 TYR N C 71 TYR CA C 71 TYR C C 72 GLY N 1.0 -36.67 43.33 PSI 97 97 C 71 TYR C C 72 GLY N C 72 GLY CA C 72 GLY C 1.0 46.58 126.58 PHI 98 98 C 72 GLY N C 72 GLY CA C 72 GLY C C 73 GLU N 1.0 -33.51 46.49 PSI 99 99 C 72 GLY C C 73 GLU N C 73 GLU CA C 73 GLU C 1.0 -117.94 -37.94 PHI 100 100 C 73 GLU N C 73 GLU CA C 73 GLU C C 74 LEU N 1.0 97.44 177.44 PSI 101 101 C 73 GLU C C 74 LEU N C 74 LEU CA C 74 LEU C 1.0 -130.43 -50.43 PHI 102 102 C 74 LEU N C 74 LEU CA C 74 LEU C C 75 LEU N 1.0 84.24 164.24 PSI 103 103 C 75 LEU C C 76 TYR N C 76 TYR CA C 76 TYR C 1.0 -173.84 -93.84 PHI 104 104 C 76 TYR N C 76 TYR CA C 76 TYR C C 77 MET N 1.0 102.30 182.30 PSI 105 105 C 76 TYR C C 77 MET N C 77 MET CA C 77 MET C 1.0 -184.02 -104.02 PHI 106 106 C 77 MET N C 77 MET CA C 77 MET C C 78 SER N 1.0 107.61 187.61 PSI 107 107 C 77 MET C C 78 SER N C 78 SER CA C 78 SER C 1.0 -136.73 -26.73 PHI 108 108 C 78 SER C C 79 LYS N C 79 LYS CA C 79 LYS C 1.0 -108.17 -8.17 PHI 109 109 C 79 LYS N C 79 LYS CA C 79 LYS C C 80 THR N 1.0 -79.23 0.77 PSI 110 110 C 79 LYS C C 80 THR N C 80 THR CA C 80 THR C 1.0 -102.00 -22.00 PHI 111 111 C 80 THR N C 80 THR CA C 80 THR C C 81 ALA N 1.0 -81.00 -1.00 PSI 112 112 C 80 THR C C 81 ALA N C 81 ALA CA C 81 ALA C 1.0 -106.99 -26.99 PHI 113 113 C 81 ALA N C 81 ALA CA C 81 ALA C C 82 PHE N 1.0 -80.04 -0.04 PSI 114 114 C 81 ALA C C 82 PHE N C 82 PHE CA C 82 PHE C 1.0 -104.12 -24.12 PHI 115 115 C 82 PHE N C 82 PHE CA C 82 PHE C C 83 GLU N 1.0 -84.62 -4.62 PSI 116 116 C 82 PHE C C 83 GLU N C 83 GLU CA C 83 GLU C 1.0 -106.10 -26.10 PHI 117 117 C 83 GLU N C 83 GLU CA C 83 GLU C C 84 ALA N 1.0 -72.85 17.15 PSI 118 118 C 83 GLU C C 84 ALA N C 84 ALA CA C 84 ALA C 1.0 -119.61 -39.61 PHI 119 119 C 84 ALA N C 84 ALA CA C 84 ALA C C 85 ASN N 1.0 -62.01 17.99 PSI 120 120 C 84 ALA C C 85 ASN N C 85 ASN CA C 85 ASN C 1.0 -149.99 -69.99 PHI 121 121 C 85 ASN N C 85 ASN CA C 85 ASN C C 86 TYR N 1.0 -62.54 17.46 PSI 122 122 C 86 TYR C C 87 THR N C 87 THR CA C 87 THR C 1.0 -168.81 -88.81 PHI 123 123 C 99 ALA C C 100 ASP N C 100 ASP CA C 100 ASP C 1.0 -106.97 -26.97 PHI 124 124 C 100 ASP N C 100 ASP CA C 100 ASP C C 101 LYS N 1.0 -71.46 8.54 PSI 125 125 C 100 ASP C C 101 LYS N C 101 LYS CA C 101 LYS C 1.0 -109.32 -29.32 PHI 126 126 C 101 LYS N C 101 LYS CA C 101 LYS C C 102 LEU N 1.0 -68.46 11.54 PSI 127 127 C 1 MET N C 1 MET CA C 1 MET CB C 1 MET CG 1.0 -105.60 -25.60 CHI1 128 128 C 5 ASN N C 5 ASN CA C 5 ASN CB C 5 ASN CG 1.0 -106.60 -26.60 CHI1 129 129 C 12 LEU N C 12 LEU CA C 12 LEU CB C 12 LEU CG 1.0 -104.10 -24.10 CHI1 130 130 C 13 TYR N C 13 TYR CA C 13 TYR CB C 13 TYR CG 1.0 -102.90 -22.90 CHI1 131 131 C 15 ASP N C 15 ASP CA C 15 ASP CB C 15 ASP CG 1.0 27.70 107.70 CHI1 132 132 C 17 ASP N C 17 ASP CA C 17 ASP CB C 17 ASP CG 1.0 24.40 104.40 CHI1 133 133 C 19 VAL N C 19 VAL CA C 19 VAL CB C 19 VAL CG1 1.0 -218.90 -138.90 CHI1 134 134 C 24 LEU N C 24 LEU CA C 24 LEU CB C 24 LEU CG 1.0 -107.20 -27.20 CHI1 135 135 C 29 ILE N C 29 ILE CA C 29 ILE CB C 29 ILE CG1 1.0 -103.30 -23.30 CHI1 136 136 C 31 TYR N C 31 TYR CA C 31 TYR CB C 31 TYR CG 1.0 -120.30 -10.30 CHI1 137 137 C 34 ASP N C 34 ASP CA C 34 ASP CB C 34 ASP CG 1.0 26.20 106.20 CHI1 138 138 C 41 PHE N C 41 PHE CA C 41 PHE CB C 41 PHE CG 1.0 -121.90 -1.90 CHI1 139 139 C 45 TYR N C 45 TYR CA C 45 TYR CB C 45 TYR CG 1.0 -107.50 -27.50 CHI1 140 140 C 51 SER N C 51 SER CA C 51 SER CB C 51 SER OG 1.0 17.50 117.50 CHI1 141 141 C 54 THR N C 54 THR CA C 54 THR CB C 54 THR OG1 1.0 -101.20 -21.20 CHI1 142 142 C 55 VAL N C 55 VAL CA C 55 VAL CB C 55 VAL CG1 1.0 132.80 212.80 CHI1 143 143 C 57 VAL N C 57 VAL CA C 57 VAL CB C 57 VAL CG1 1.0 136.40 216.40 CHI1 144 144 C 58 PHE N C 58 PHE CA C 58 PHE CB C 58 PHE CG 1.0 -108.70 -28.70 CHI1 145 145 C 61 GLU N C 61 GLU CA C 61 GLU CB C 61 GLU CG 1.0 -103.40 -23.40 CHI1 146 146 C 65 TYR N C 65 TYR CA C 65 TYR CB C 65 TYR CG 1.0 -115.70 -15.70 CHI1 147 147 C 67 PHE N C 67 PHE CA C 67 PHE CB C 67 PHE CG 1.0 25.40 105.40 CHI1 148 148 C 69 SER N C 69 SER CA C 69 SER CB C 69 SER OG 1.0 25.70 105.70 CHI1 149 149 C 70 GLN N C 70 GLN CA C 70 GLN CB C 70 GLN CG 1.0 -107.80 -27.80 CHI1 150 150 C 71 TYR N C 71 TYR CA C 71 TYR CB C 71 TYR CG 1.0 -99.20 -19.20 CHI1 151 151 C 75 LEU N C 75 LEU CA C 75 LEU CB C 75 LEU CG 1.0 -108.30 -8.30 CHI1 152 152 C 78 SER N C 78 SER CA C 78 SER CB C 78 SER OG 1.0 25.90 105.90 CHI1 153 153 C 80 THR N C 80 THR CA C 80 THR CB C 80 THR OG1 1.0 13.90 93.90 CHI1 154 154 C 82 PHE N C 82 PHE CA C 82 PHE CB C 82 PHE CG 1.0 -218.50 -138.50 CHI1 155 155 C 85 ASN N C 85 ASN CA C 85 ASN CB C 85 ASN CG 1.0 -104.80 -24.80 CHI1 156 156 C 87 THR N C 87 THR CA C 87 THR CB C 87 THR OG1 1.0 10.50 110.50 CHI1 157 157 C 93 VAL N C 93 VAL CA C 93 VAL CB C 93 VAL CG1 1.0 138.50 218.50 CHI1 158 158 C 97 GLU N C 97 GLU CA C 97 GLU CB C 97 GLU CG 1.0 -107.50 -27.50 CHI1 159 159 C 102 LEU N C 102 LEU CA C 102 LEU CB C 102 LEU CG 1.0 -109.70 -29.70 CHI1 160 160 C 106 ARG N C 106 ARG CA C 106 ARG CB C 106 ARG CG 1.0 -103.00 -23.00 CHI1 161 161 C 107 THR N C 107 THR CA C 107 THR CB C 107 THR OG1 1.0 18.70 98.70 CHI1 162 162 C 108 ILE N C 108 ILE CA C 108 ILE CB C 108 ILE CG1 1.0 -99.70 -19.70 CHI1 163 163 C 109 THR N C 109 THR CA C 109 THR CB C 109 THR OG1 1.0 19.10 99.10 CHI1 164 164 C 110 LEU N C 110 LEU CA C 110 LEU CB C 110 LEU CG 1.0 -102.00 -22.00 CHI1 165 165 C 111 THR N C 111 THR CA C 111 THR CB C 111 THR OG1 1.0 20.00 100.00 CHI1 166 166 C 114 VAL N C 114 VAL CA C 114 VAL CB C 114 VAL CG1 1.0 137.30 217.30 CHI1 167 167 C 115 THR N C 115 THR CA C 115 THR CB C 115 THR OG1 1.0 17.20 97.20 CHI1 168 168 C 120 PHE N C 120 PHE CA C 120 PHE CB C 120 PHE CG 1.0 -107.70 -27.70 CHI1 169 169 C 126 VAL N C 126 VAL CA C 126 VAL CB C 126 VAL CG1 1.0 -219.00 -139.00 CHI1 170 170 C 127 THR N C 127 THR CA C 127 THR CB C 127 THR OG1 1.0 18.50 98.50 CHI1 171 171 C 128 ILE N C 128 ILE CA C 128 ILE CB C 128 ILE CG1 1.0 -100.90 -20.90 CHI1 172 172 C 130 THR N C 130 THR CA C 130 THR CB C 130 THR OG1 1.0 15.90 95.90 CHI1 173 173 C 131 THR N C 131 THR CA C 131 THR CB C 131 THR OG1 1.0 15.00 95.00 CHI1 174 174 C 58 PHE C C 59 LYS N C 59 LYS CA C 59 LYS C 1.0 -150.00 -30.00 PHI stop_ save_