data_nef_c25502_2mzu 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MZU stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 VAL middle . . 3 A 3 ASN middle . . 4 A 4 PRO middle . false 5 A 5 THR middle . . 6 A 6 VAL middle . . 7 A 7 PHE middle . . 8 A 8 PHE middle . . 9 A 9 ASP middle . . 10 A 10 ILE middle . . 11 A 11 ALA middle . . 12 A 12 VAL middle . . 13 A 13 ASP middle . . 14 A 14 GLY middle . false 15 A 15 GLU middle . . 16 A 16 PRO middle . false 17 A 17 LEU middle . . 18 A 18 GLY middle . false 19 A 19 ARG middle . . 20 A 20 VAL middle . . 21 A 21 SER middle . . 22 A 22 PHE middle . . 23 A 23 GLU middle . . 24 A 24 LEU middle . . 25 A 25 PHE middle . . 26 A 26 ALA middle . . 27 A 27 ASP middle . . 28 A 28 LYS middle . . 29 A 29 VAL middle . . 30 A 30 PRO middle . false 31 A 31 LYS middle . . 32 A 32 THR middle . . 33 A 33 ALA middle . . 34 A 34 GLU middle . . 35 A 35 ASN middle . . 36 A 36 PHE middle . . 37 A 37 ARG middle . . 38 A 38 ALA middle . . 39 A 39 LEU middle . . 40 A 40 SER middle . . 41 A 41 THR middle . . 42 A 42 GLY middle . false 43 A 43 GLU middle . . 44 A 44 LYS middle . . 45 A 45 GLY middle . false 46 A 46 PHE middle . . 47 A 47 GLY middle . false 48 A 48 TYR middle . . 49 A 49 LYS middle . . 50 A 50 GLY middle . false 51 A 51 SER middle . . 52 A 52 CYS middle . . 53 A 53 PHE middle . . 54 A 54 HIS middle . . 55 A 55 ARG middle . . 56 A 56 ILE middle . . 57 A 57 ILE middle . . 58 A 58 PRO middle . false 59 A 59 GLY middle . false 60 A 60 PHE middle . . 61 A 61 MET middle . . 62 A 62 CYS middle . . 63 A 63 GLN middle . . 64 A 64 GLY middle . false 65 A 65 GLY middle . false 66 A 66 ASP middle . . 67 A 67 PHE middle . . 68 A 68 THR middle . . 69 A 69 ARG middle . . 70 A 70 HIS middle . . 71 A 71 ASN middle . . 72 A 72 GLY middle . false 73 A 73 THR middle . . 74 A 74 GLY middle . false 75 A 75 GLY middle . false 76 A 76 LYS middle . . 77 A 77 SER middle . . 78 A 78 ILE middle . . 79 A 79 TYR middle . . 80 A 80 GLY middle . false 81 A 81 GLU middle . . 82 A 82 LYS middle . . 83 A 83 PHE middle . . 84 A 84 GLU middle . . 85 A 85 ASP middle . . 86 A 86 GLU middle . . 87 A 87 ASN middle . . 88 A 88 PHE middle . . 89 A 89 ILE middle . . 90 A 90 LEU middle . . 91 A 91 LYS middle . . 92 A 92 HIS middle . . 93 A 93 THR middle . . 94 A 94 GLY middle . false 95 A 95 PRO middle . false 96 A 96 GLY middle . false 97 A 97 ILE middle . . 98 A 98 LEU middle . . 99 A 99 SER middle . . 100 A 100 MET middle . . 101 A 101 ALA middle . . 102 A 102 ASN middle . . 103 A 103 ALA middle . . 104 A 104 GLY middle . false 105 A 105 PRO middle . false 106 A 106 ASN middle . . 107 A 107 THR middle . . 108 A 108 ASN middle . . 109 A 109 GLY middle . false 110 A 110 SER middle . . 111 A 111 GLN middle . . 112 A 112 PHE middle . . 113 A 113 PHE middle . . 114 A 114 ILE middle . . 115 A 115 CYS middle . . 116 A 116 THR middle . . 117 A 117 ALA middle . . 118 A 118 LYS middle . . 119 A 119 THR middle . . 120 A 120 GLU middle . . 121 A 121 TRP middle . . 122 A 122 LEU middle . . 123 A 123 ASP middle . . 124 A 124 GLY middle . false 125 A 125 LYS middle . . 126 A 126 HIS middle . . 127 A 127 VAL middle . . 128 A 128 VAL middle . . 129 A 129 PHE middle . . 130 A 130 GLY middle . false 131 A 131 LYS middle . . 132 A 132 VAL middle . . 133 A 133 LYS middle . . 134 A 134 GLU middle . . 135 A 135 GLY middle . false 136 A 136 MET middle . . 137 A 137 ASN middle . . 138 A 138 ILE middle . . 139 A 139 VAL middle . . 140 A 140 GLU middle . . 141 A 141 ALA middle . . 142 A 142 MET middle . . 143 A 143 GLU middle . . 144 A 144 ARG middle . . 145 A 145 PHE middle . . 146 A 146 GLY middle . false 147 A 147 SER middle . . 148 A 148 ARG middle . . 149 A 149 ASN middle . . 150 A 150 GLY middle . false 151 A 151 LYS middle . . 152 A 152 THR middle . . 153 A 153 SER middle . . 154 A 154 LYS middle . . 155 A 155 LYS middle . . 156 A 156 ILE middle . . 157 A 157 THR middle . . 158 A 158 ILE middle . . 159 A 159 ALA middle . . 160 A 160 ASP middle . . 161 A 161 CYS middle . . 162 A 162 GLY middle . false 163 A 163 GLN middle . . 164 A 164 LEU middle . . 165 A 165 GLU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.119 0.003 A 1 MET HBy H 1 2.141 0.014 A 1 MET HBx H 1 2.123 0.019 A 1 MET HE% H 1 2.087 0.010 A 1 MET HGy H 1 2.579 0.002 A 1 MET HGx H 1 2.547 0.009 A 1 MET CA C 13 54.839 0.010 A 1 MET CB C 13 33.810 0.020 A 1 MET CE C 13 16.738 0.020 A 1 MET CG C 13 30.694 0.015 A 2 VAL HA H 1 4.176 0.015 A 2 VAL HB H 1 2.046 0.003 A 2 VAL HGx% H 1 0.935 0.008 A 2 VAL HGy% H 1 0.927 0.009 A 2 VAL CA C 13 61.492 0.012 A 2 VAL CB C 13 33.126 0.020 A 2 VAL CGy C 13 20.576 0.022 A 2 VAL CGx C 13 20.526 0.084 A 3 ASN H H 1 8.600 0.021 A 3 ASN HA H 1 5.137 0.003 A 3 ASN HBx H 1 2.771 0.006 A 3 ASN HBy H 1 3.612 0.005 A 3 ASN HD2y H 1 8.457 0.018 A 3 ASN HD2x H 1 6.983 0.003 A 3 ASN CA C 13 51.008 0.057 A 3 ASN CB C 13 37.799 0.100 A 3 ASN N N 15 126.515 0.060 A 3 ASN ND2 N 15 109.703 0.009 A 4 PRO HA H 1 4.753 0.002 A 4 PRO HBx H 1 1.711 0.005 A 4 PRO HBy H 1 2.364 0.014 A 4 PRO HDy H 1 4.093 0.012 A 4 PRO HDx H 1 4.065 0.014 A 4 PRO HGx H 1 2.086 0.004 A 4 PRO HGy H 1 2.187 0.006 A 4 PRO CA C 13 62.669 0.060 A 4 PRO CB C 13 33.138 0.079 A 4 PRO CD C 13 50.660 0.057 A 4 PRO CG C 13 26.689 0.005 A 5 THR H H 1 8.771 0.002 A 5 THR HA H 1 5.716 0.003 A 5 THR HB H 1 4.059 0.007 A 5 THR HG2% H 1 1.201 0.004 A 5 THR CA C 13 60.698 0.077 A 5 THR CG2 C 13 22.127 0.070 A 5 THR N N 15 114.826 0.020 A 6 VAL H H 1 8.741 0.004 A 6 VAL HA H 1 5.339 0.003 A 6 VAL HB H 1 2.306 0.004 A 6 VAL HGx% H 1 1.055 0.007 A 6 VAL HGy% H 1 1.066 0.006 A 6 VAL CA C 13 58.797 0.056 A 6 VAL CB C 13 36.135 0.010 A 6 VAL CGy C 13 21.612 0.009 A 6 VAL CGx C 13 20.545 0.007 A 6 VAL N N 15 120.113 0.060 A 7 PHE H H 1 8.954 0.007 A 7 PHE HA H 1 5.895 0.003 A 7 PHE HBy H 1 2.842 0.006 A 7 PHE HBx H 1 2.632 0.006 A 7 PHE HDx H 1 6.735 0.008 A 7 PHE HDy H 1 6.735 0.008 A 7 PHE HEx H 1 6.989 0.006 A 7 PHE HEy H 1 6.989 0.006 A 7 PHE HZ H 1 7.024 0.023 A 7 PHE CA C 13 55.688 0.010 A 7 PHE CB C 13 43.043 0.042 A 7 PHE N N 15 118.968 0.020 A 8 PHE H H 1 9.540 0.012 A 8 PHE HA H 1 5.317 0.006 A 8 PHE HBy H 1 3.459 0.004 A 8 PHE HBx H 1 3.258 0.006 A 8 PHE HDx H 1 7.488 0.005 A 8 PHE HDy H 1 7.488 0.005 A 8 PHE HEx H 1 7.179 0.004 A 8 PHE HEy H 1 7.179 0.004 A 8 PHE HZ H 1 6.191 0.003 A 8 PHE CA C 13 53.423 0.078 A 8 PHE CB C 13 42.870 0.077 A 8 PHE N N 15 116.774 0.050 A 9 ASP H H 1 9.266 0.007 A 9 ASP HA H 1 5.533 0.005 A 9 ASP HBy H 1 2.862 0.009 A 9 ASP HBx H 1 2.520 0.009 A 9 ASP CA C 13 54.765 0.066 A 9 ASP CB C 13 41.313 0.075 A 9 ASP N N 15 123.959 0.070 A 10 ILE H H 1 9.030 0.009 A 10 ILE HA H 1 5.172 0.003 A 10 ILE HB H 1 2.061 0.009 A 10 ILE HD1% H 1 0.995 0.004 A 10 ILE HG1y H 1 1.846 0.011 A 10 ILE HG1x H 1 1.654 0.017 A 10 ILE HG2% H 1 0.965 0.007 A 10 ILE CA C 13 58.159 0.015 A 10 ILE CB C 13 37.703 0.096 A 10 ILE CD1 C 13 11.271 0.050 A 10 ILE CG1 C 13 27.012 0.050 A 10 ILE CG2 C 13 18.415 0.007 A 10 ILE N N 15 124.122 0.080 A 11 ALA H H 1 9.603 0.007 A 11 ALA HA H 1 5.165 0.004 A 11 ALA HB% H 1 1.055 0.009 A 11 ALA CA C 13 50.664 0.010 A 11 ALA CB C 13 22.561 0.008 A 11 ALA N N 15 132.244 0.080 A 12 VAL H H 1 8.943 0.008 A 12 VAL HA H 1 4.511 0.004 A 12 VAL HB H 1 1.787 0.007 A 12 VAL HGx% H 1 0.335 0.006 A 12 VAL HGy% H 1 0.653 0.008 A 12 VAL CA C 13 60.426 0.084 A 12 VAL CB C 13 33.181 0.055 A 12 VAL CGx C 13 21.124 0.006 A 12 VAL CGy C 13 21.463 0.060 A 12 VAL N N 15 118.199 0.090 A 13 ASP H H 1 9.846 0.004 A 13 ASP HA H 1 4.320 0.007 A 13 ASP HBy H 1 3.101 0.011 A 13 ASP HBx H 1 2.512 0.011 A 13 ASP CA C 13 55.826 0.020 A 13 ASP CB C 13 39.835 0.063 A 13 ASP N N 15 130.748 0.050 A 14 GLY H H 1 8.558 0.004 A 14 GLY HAx H 1 3.420 0.004 A 14 GLY HAy H 1 4.215 0.010 A 14 GLY CA C 13 45.082 0.001 A 14 GLY N N 15 101.493 0.050 A 15 GLU H H 1 8.046 0.002 A 15 GLU HA H 1 4.836 0.003 A 15 GLU HBy H 1 2.093 0.005 A 15 GLU HBx H 1 1.987 0.023 A 15 GLU HGy H 1 2.290 0.005 A 15 GLU HGx H 1 2.198 0.006 A 15 GLU CA C 13 52.753 0.030 A 15 GLU CB C 13 30.236 0.001 A 15 GLU CG C 13 35.635 0.081 A 15 GLU N N 15 123.014 0.060 A 16 PRO HA H 1 4.176 0.004 A 16 PRO HBx H 1 1.886 0.007 A 16 PRO HBy H 1 2.326 0.007 A 16 PRO HDy H 1 3.953 0.008 A 16 PRO HDx H 1 3.726 0.004 A 16 PRO HGy H 1 2.150 0.003 A 16 PRO HGx H 1 1.982 0.005 A 16 PRO CA C 13 64.546 0.023 A 16 PRO CB C 13 32.178 0.015 A 16 PRO CD C 13 50.906 0.055 A 16 PRO CG C 13 27.534 0.008 A 17 LEU H H 1 9.189 0.006 A 17 LEU HA H 1 4.687 0.006 A 17 LEU HBy H 1 1.603 0.010 A 17 LEU HBx H 1 1.418 0.009 A 17 LEU HDx% H 1 0.985 0.008 A 17 LEU HDy% H 1 0.826 0.003 A 17 LEU HG H 1 1.564 0.007 A 17 LEU CA C 13 55.348 0.000 A 17 LEU CB C 13 44.157 0.083 A 17 LEU CDx C 13 25.716 0.010 A 17 LEU N N 15 125.784 0.050 A 18 GLY H H 1 7.256 0.013 A 18 GLY HAy H 1 4.262 0.004 A 18 GLY HAx H 1 3.955 0.006 A 18 GLY CA C 13 44.969 0.010 A 18 GLY N N 15 102.200 0.055 A 19 ARG H H 1 8.320 0.002 A 19 ARG HA H 1 5.622 0.008 A 19 ARG HBy H 1 1.992 0.005 A 19 ARG HBx H 1 1.620 0.007 A 19 ARG HDy H 1 2.776 0.013 A 19 ARG HDx H 1 2.669 0.010 A 19 ARG HE H 1 9.025 0.001 A 19 ARG HGy H 1 1.606 0.001 A 19 ARG HGx H 1 1.461 0.011 A 19 ARG CA C 13 55.015 0.086 A 19 ARG CB C 13 33.340 0.090 A 19 ARG CD C 13 43.101 0.099 A 19 ARG CG C 13 26.902 0.003 A 19 ARG N N 15 120.995 0.025 A 19 ARG NE N 15 85.905 0.009 A 20 VAL H H 1 9.364 0.011 A 20 VAL HA H 1 4.603 0.004 A 20 VAL HB H 1 1.738 0.008 A 20 VAL HGx% H 1 0.513 0.006 A 20 VAL HGy% H 1 0.852 0.002 A 20 VAL CA C 13 59.941 0.081 A 20 VAL CB C 13 34.883 0.087 A 20 VAL CGy C 13 22.132 0.005 A 20 VAL CGx C 13 21.897 0.061 A 20 VAL N N 15 126.616 0.050 A 21 SER H H 1 8.768 0.002 A 21 SER HA H 1 5.515 0.006 A 21 SER HBy H 1 3.732 0.010 A 21 SER HBx H 1 3.565 0.008 A 21 SER CA C 13 55.317 0.070 A 21 SER CB C 13 66.791 0.015 A 21 SER N N 15 120.061 0.090 A 22 PHE H H 1 9.508 0.009 A 22 PHE HA H 1 5.237 0.008 A 22 PHE HBx H 1 2.300 0.007 A 22 PHE HBy H 1 2.429 0.002 A 22 PHE HDx H 1 6.525 0.005 A 22 PHE HDy H 1 6.525 0.005 A 22 PHE HEx H 1 6.155 0.004 A 22 PHE HEy H 1 6.155 0.004 A 22 PHE HZ H 1 6.637 0.008 A 22 PHE CA C 13 55.688 0.030 A 22 PHE CB C 13 42.574 0.053 A 22 PHE N N 15 118.878 0.060 A 23 GLU H H 1 8.740 0.009 A 23 GLU HA H 1 4.749 0.006 A 23 GLU HBy H 1 1.821 0.019 A 23 GLU HBx H 1 1.682 0.001 A 23 GLU HGy H 1 2.190 0.004 A 23 GLU HGx H 1 1.798 0.009 A 23 GLU CA C 13 54.949 0.020 A 23 GLU CB C 13 31.629 0.000 A 23 GLU CG C 13 36.461 0.096 A 23 GLU N N 15 122.926 0.075 A 24 LEU H H 1 8.185 0.002 A 24 LEU HA H 1 4.697 0.004 A 24 LEU HBy H 1 1.881 0.011 A 24 LEU HBx H 1 1.232 0.006 A 24 LEU HDx% H 1 1.102 0.006 A 24 LEU HDy% H 1 0.461 0.003 A 24 LEU HG H 1 1.697 0.011 A 24 LEU CA C 13 51.551 0.020 A 24 LEU CB C 13 43.120 0.063 A 24 LEU CDy C 13 26.654 0.003 A 24 LEU CDx C 13 23.050 0.002 A 24 LEU CG C 13 26.879 0.002 A 24 LEU N N 15 122.262 0.025 A 25 PHE H H 1 8.815 0.011 A 25 PHE HA H 1 5.108 0.002 A 25 PHE HBx H 1 2.668 0.007 A 25 PHE HBy H 1 3.256 0.004 A 25 PHE HDx H 1 6.873 0.010 A 25 PHE HDy H 1 6.873 0.010 A 25 PHE HEx H 1 6.990 0.011 A 25 PHE HEy H 1 6.990 0.011 A 25 PHE HZ H 1 6.966 0.012 A 25 PHE CA C 13 54.290 0.002 A 25 PHE CB C 13 35.961 0.084 A 25 PHE N N 15 124.423 0.022 A 26 ALA H H 1 8.433 0.005 A 26 ALA HA H 1 3.771 0.003 A 26 ALA HB% H 1 1.506 0.006 A 26 ALA CA C 13 54.286 0.096 A 26 ALA CB C 13 18.625 0.002 A 26 ALA N N 15 128.683 0.082 A 27 ASP H H 1 9.052 0.003 A 27 ASP HA H 1 4.243 0.006 A 27 ASP HBy H 1 2.842 0.009 A 27 ASP HBx H 1 2.730 0.005 A 27 ASP CA C 13 55.328 0.120 A 27 ASP CB C 13 38.855 0.005 A 27 ASP N N 15 114.069 0.089 A 28 LYS H H 1 7.545 0.003 A 28 LYS HA H 1 4.571 0.007 A 28 LYS HBx H 1 1.771 0.001 A 28 LYS HBy H 1 1.771 0.001 A 28 LYS HDy H 1 1.566 0.004 A 28 LYS HDx H 1 1.408 0.004 A 28 LYS HEx H 1 2.829 0.008 A 28 LYS HEy H 1 2.829 0.008 A 28 LYS HGy H 1 1.391 0.013 A 28 LYS HGx H 1 1.383 0.011 A 28 LYS CA C 13 56.232 0.035 A 28 LYS CB C 13 35.922 0.008 A 28 LYS CD C 13 28.421 0.005 A 28 LYS CE C 13 41.734 0.005 A 28 LYS CG C 13 24.831 0.006 A 28 LYS N N 15 117.763 0.088 A 29 VAL H H 1 8.368 0.012 A 29 VAL HA H 1 4.451 0.002 A 29 VAL HB H 1 2.576 0.010 A 29 VAL HGx% H 1 0.995 0.007 A 29 VAL HGy% H 1 1.304 0.007 A 29 VAL CA C 13 58.089 0.086 A 29 VAL CB C 13 31.745 0.006 A 29 VAL CGy C 13 25.217 0.006 A 29 VAL CGx C 13 20.581 0.004 A 29 VAL N N 15 114.212 0.088 A 30 PRO HA H 1 4.395 0.002 A 30 PRO HBx H 1 1.959 0.017 A 30 PRO HBy H 1 2.610 0.007 A 30 PRO HDy H 1 3.540 0.002 A 30 PRO HDx H 1 3.097 0.008 A 30 PRO HGx H 1 2.067 0.017 A 30 PRO HGy H 1 2.102 0.007 A 30 PRO CA C 13 66.083 0.006 A 30 PRO CB C 13 31.304 0.008 A 30 PRO CD C 13 50.491 0.069 A 30 PRO CG C 13 27.233 0.006 A 31 LYS H H 1 10.663 0.002 A 31 LYS HA H 1 4.007 0.007 A 31 LYS HBy H 1 1.695 0.003 A 31 LYS HBx H 1 1.536 0.009 A 31 LYS HDy H 1 1.416 0.007 A 31 LYS HDx H 1 1.312 0.008 A 31 LYS HEy H 1 2.075 0.014 A 31 LYS HEx H 1 1.858 0.017 A 31 LYS HGy H 1 1.117 0.009 A 31 LYS HGx H 1 0.891 0.007 A 31 LYS CA C 13 60.356 0.107 A 31 LYS CB C 13 32.279 0.002 A 31 LYS CD C 13 29.560 0.008 A 31 LYS CE C 13 41.238 0.008 A 31 LYS CG C 13 26.446 0.008 A 31 LYS N N 15 123.500 0.078 A 32 THR H H 1 10.283 0.013 A 32 THR HA H 1 3.988 0.004 A 32 THR HB H 1 4.160 0.008 A 32 THR HG1 H 1 7.753 0.002 A 32 THR HG2% H 1 0.921 0.005 A 32 THR CA C 13 67.678 0.008 A 32 THR CB C 13 68.897 0.008 A 32 THR CG2 C 13 22.221 0.008 A 32 THR N N 15 123.707 0.088 A 33 ALA H H 1 9.281 0.007 A 33 ALA HA H 1 4.037 0.009 A 33 ALA HB% H 1 1.436 0.004 A 33 ALA CA C 13 55.867 0.070 A 33 ALA CB C 13 18.235 0.008 A 33 ALA N N 15 125.366 0.088 A 34 GLU H H 1 8.027 0.004 A 34 GLU HA H 1 4.509 0.008 A 34 GLU HBy H 1 2.262 0.007 A 34 GLU HBx H 1 1.750 0.004 A 34 GLU HGy H 1 2.459 0.017 A 34 GLU HGx H 1 2.028 0.010 A 34 GLU CA C 13 57.886 0.065 A 34 GLU CB C 13 27.925 0.007 A 34 GLU CG C 13 33.577 0.072 A 34 GLU N N 15 117.040 0.088 A 35 ASN H H 1 7.139 0.002 A 35 ASN HA H 1 4.054 0.004 A 35 ASN HBx H 1 2.400 0.004 A 35 ASN HBy H 1 2.931 0.005 A 35 ASN HD2y H 1 8.981 0.003 A 35 ASN HD2x H 1 6.797 0.003 A 35 ASN CA C 13 56.631 0.055 A 35 ASN CB C 13 39.465 0.069 A 35 ASN N N 15 115.398 0.056 A 35 ASN ND2 N 15 115.042 0.009 A 36 PHE H H 1 7.012 0.008 A 36 PHE HA H 1 4.109 0.012 A 36 PHE HBy H 1 3.049 0.008 A 36 PHE HBx H 1 2.956 0.003 A 36 PHE HDx H 1 6.423 0.008 A 36 PHE HDy H 1 6.423 0.008 A 36 PHE HEx H 1 5.559 0.004 A 36 PHE HEy H 1 5.559 0.004 A 36 PHE CA C 13 61.391 0.002 A 36 PHE CB C 13 40.013 0.002 A 36 PHE N N 15 117.607 0.054 A 37 ARG H H 1 8.935 0.010 A 37 ARG HA H 1 3.632 0.005 A 37 ARG HBy H 1 1.943 0.014 A 37 ARG HBx H 1 1.833 0.005 A 37 ARG HDy H 1 3.534 0.005 A 37 ARG HDx H 1 2.813 0.003 A 37 ARG HE H 1 8.907 0.002 A 37 ARG HGy H 1 1.495 0.011 A 37 ARG HGx H 1 1.010 0.010 A 37 ARG CA C 13 60.381 0.048 A 37 ARG CB C 13 29.860 0.006 A 37 ARG CD C 13 41.075 0.079 A 37 ARG N N 15 120.804 0.078 A 37 ARG NE N 15 118.446 0.006 A 38 ALA H H 1 8.687 0.003 A 38 ALA HA H 1 4.069 0.005 A 38 ALA HB% H 1 1.239 0.006 A 38 ALA CA C 13 54.340 0.006 A 38 ALA CB C 13 18.235 0.006 A 38 ALA N N 15 118.869 0.006 A 39 LEU H H 1 8.173 0.017 A 39 LEU HA H 1 3.744 0.003 A 39 LEU HBy H 1 1.359 0.010 A 39 LEU HBx H 1 -0.328 0.006 A 39 LEU HDx% H 1 0.873 0.009 A 39 LEU HDy% H 1 0.533 0.002 A 39 LEU HG H 1 1.754 0.005 A 39 LEU CA C 13 57.115 0.006 A 39 LEU CB C 13 41.026 0.099 A 39 LEU CDy C 13 26.654 0.008 A 39 LEU CDx C 13 24.159 0.006 A 39 LEU CG C 13 26.156 0.006 A 39 LEU N N 15 120.488 0.006 A 40 SER H H 1 7.900 0.006 A 40 SER HA H 1 4.444 0.003 A 40 SER HBy H 1 4.227 0.011 A 40 SER HBx H 1 3.529 0.007 A 40 SER HG H 1 3.437 0.003 A 40 SER CA C 13 62.334 0.006 A 40 SER CB C 13 62.884 0.103 A 40 SER N N 15 118.952 0.006 A 41 THR H H 1 7.974 0.009 A 41 THR HA H 1 4.288 0.005 A 41 THR HB H 1 4.472 0.009 A 41 THR HG1 H 1 6.692 0.028 A 41 THR HG2% H 1 1.319 0.007 A 41 THR CA C 13 62.810 0.091 A 41 THR CB C 13 69.221 0.006 A 41 THR CG2 C 13 22.342 0.006 A 41 THR N N 15 108.208 0.006 A 42 GLY H H 1 7.582 0.006 A 42 GLY HAy H 1 3.870 0.014 A 42 GLY HAx H 1 3.485 0.011 A 42 GLY CA C 13 45.757 0.006 A 42 GLY N N 15 108.122 0.006 A 43 GLU H H 1 8.009 0.004 A 43 GLU HA H 1 4.120 0.009 A 43 GLU HBy H 1 2.202 0.007 A 43 GLU HBx H 1 2.044 0.008 A 43 GLU HGy H 1 2.133 0.014 A 43 GLU HGx H 1 1.790 0.007 A 43 GLU CA C 13 58.357 0.006 A 43 GLU CB C 13 29.942 0.002 A 43 GLU CG C 13 35.210 0.013 A 43 GLU N N 15 118.454 0.006 A 44 LYS H H 1 9.102 0.001 A 44 LYS HA H 1 4.281 0.008 A 44 LYS HBy H 1 1.612 0.009 A 44 LYS HBx H 1 0.896 0.003 A 44 LYS HDx H 1 1.440 0.006 A 44 LYS HDy H 1 1.440 0.006 A 44 LYS HEy H 1 2.828 0.007 A 44 LYS HEx H 1 2.673 0.002 A 44 LYS HGx H 1 1.037 0.004 A 44 LYS HGy H 1 1.037 0.004 A 44 LYS CA C 13 54.120 0.006 A 44 LYS CB C 13 30.296 0.006 A 44 LYS CD C 13 27.283 0.006 A 44 LYS CE C 13 42.257 0.006 A 44 LYS CG C 13 24.767 0.006 A 44 LYS N N 15 118.055 0.006 A 45 GLY H H 1 7.939 0.001 A 45 GLY HAy H 1 4.298 0.008 A 45 GLY HAx H 1 3.547 0.011 A 45 GLY CA C 13 44.531 0.129 A 45 GLY N N 15 105.305 0.006 A 46 PHE H H 1 6.413 0.001 A 46 PHE HA H 1 4.624 0.001 A 46 PHE HBy H 1 3.114 0.005 A 46 PHE HBx H 1 2.706 0.001 A 46 PHE HDx H 1 6.614 0.006 A 46 PHE HDy H 1 6.614 0.006 A 46 PHE HEx H 1 6.975 0.009 A 46 PHE HEy H 1 6.975 0.009 A 46 PHE HZ H 1 7.073 0.012 A 46 PHE CA C 13 53.881 0.006 A 46 PHE CB C 13 39.468 0.068 A 46 PHE N N 15 113.461 0.006 A 47 GLY H H 1 7.686 0.006 A 47 GLY HAy H 1 4.343 0.010 A 47 GLY HAx H 1 2.528 0.008 A 47 GLY CA C 13 45.458 0.110 A 47 GLY N N 15 104.416 0.006 A 48 TYR H H 1 6.887 0.018 A 48 TYR HA H 1 4.208 0.007 A 48 TYR HBx H 1 2.645 0.005 A 48 TYR HBy H 1 2.819 0.006 A 48 TYR HDx H 1 6.764 0.022 A 48 TYR HDy H 1 6.764 0.022 A 48 TYR HEx H 1 6.160 0.005 A 48 TYR HEy H 1 6.160 0.005 A 48 TYR CA C 13 57.039 0.046 A 48 TYR CB C 13 38.419 0.004 A 48 TYR N N 15 113.530 0.006 A 49 LYS H H 1 8.474 0.001 A 49 LYS HA H 1 3.595 0.004 A 49 LYS HBy H 1 1.978 0.012 A 49 LYS HBx H 1 1.592 0.006 A 49 LYS HDy H 1 1.935 0.007 A 49 LYS HDx H 1 1.767 0.006 A 49 LYS HEy H 1 3.233 0.004 A 49 LYS HEx H 1 3.057 0.007 A 49 LYS HGy H 1 1.307 0.013 A 49 LYS HGx H 1 1.241 0.011 A 49 LYS CA C 13 60.882 0.006 A 49 LYS CB C 13 31.168 0.008 A 49 LYS CD C 13 29.734 0.005 A 49 LYS CE C 13 41.825 0.006 A 49 LYS CG C 13 25.346 0.006 A 49 LYS N N 15 124.631 0.006 A 50 GLY H H 1 9.482 0.001 A 50 GLY HAy H 1 4.392 0.007 A 50 GLY HAx H 1 3.698 0.006 A 50 GLY CA C 13 45.041 0.003 A 50 GLY N N 15 117.591 0.006 A 51 SER H H 1 8.397 0.006 A 51 SER HA H 1 4.658 0.006 A 51 SER HBy H 1 4.317 0.013 A 51 SER HBx H 1 4.199 0.007 A 51 SER HG H 1 4.885 0.006 A 51 SER CA C 13 58.682 0.006 A 51 SER CB C 13 64.607 0.070 A 51 SER N N 15 116.156 0.006 A 52 CYS H H 1 9.858 0.001 A 52 CYS HA H 1 5.895 0.010 A 52 CYS HBx H 1 3.035 0.012 A 52 CYS HBy H 1 3.036 0.014 A 52 CYS CA C 13 55.965 0.006 A 52 CYS CB C 13 31.719 0.006 A 52 CYS N N 15 114.800 0.006 A 53 PHE H H 1 8.702 0.001 A 53 PHE HA H 1 4.853 0.006 A 53 PHE HBy H 1 2.882 0.013 A 53 PHE HBx H 1 2.630 0.010 A 53 PHE HDx H 1 6.896 0.004 A 53 PHE HDy H 1 6.896 0.004 A 53 PHE HEx H 1 7.187 0.009 A 53 PHE HEy H 1 7.187 0.009 A 53 PHE HZ H 1 7.367 0.008 A 53 PHE CA C 13 58.083 0.006 A 53 PHE CB C 13 38.728 0.006 A 53 PHE N N 15 122.839 0.006 A 54 HIS H H 1 7.623 0.006 A 54 HIS HA H 1 4.706 0.003 A 54 HIS HBy H 1 3.272 0.006 A 54 HIS HBx H 1 2.819 0.009 A 54 HIS HD2 H 1 6.843 0.004 A 54 HIS CA C 13 56.985 0.006 A 54 HIS CB C 13 31.344 0.002 A 54 HIS N N 15 119.944 0.006 A 55 ARG H H 1 7.031 0.011 A 55 ARG HA H 1 5.099 0.008 A 55 ARG HBy H 1 1.383 0.005 A 55 ARG HBx H 1 1.245 0.004 A 55 ARG HDy H 1 3.164 0.006 A 55 ARG HDx H 1 3.121 0.017 A 55 ARG HE H 1 7.114 0.006 A 55 ARG HGy H 1 1.559 0.007 A 55 ARG HGx H 1 1.216 0.016 A 55 ARG CA C 13 54.703 0.004 A 55 ARG CB C 13 33.771 0.054 A 55 ARG CD C 13 43.502 0.088 A 55 ARG CG C 13 28.017 0.006 A 55 ARG N N 15 122.758 0.006 A 55 ARG NE N 15 83.912 0.006 A 56 ILE H H 1 9.166 0.004 A 56 ILE HA H 1 4.589 0.010 A 56 ILE HB H 1 1.574 0.011 A 56 ILE HD1% H 1 0.847 0.004 A 56 ILE HG1y H 1 1.556 0.014 A 56 ILE HG1x H 1 0.979 0.015 A 56 ILE HG2% H 1 1.003 0.006 A 56 ILE CA C 13 61.451 0.006 A 56 ILE CB C 13 41.632 0.037 A 56 ILE CD1 C 13 14.283 0.006 A 56 ILE CG1 C 13 27.118 0.005 A 56 ILE CG2 C 13 17.572 0.006 A 56 ILE N N 15 126.170 0.006 A 57 ILE H H 1 8.718 0.009 A 57 ILE HA H 1 5.197 0.009 A 57 ILE HB H 1 1.906 0.006 A 57 ILE HD1% H 1 0.917 0.008 A 57 ILE HG1y H 1 1.454 0.008 A 57 ILE HG1x H 1 1.148 0.007 A 57 ILE HG2% H 1 1.111 0.006 A 57 ILE CA C 13 57.614 0.170 A 57 ILE CB C 13 40.015 0.006 A 57 ILE CD1 C 13 13.444 0.006 A 57 ILE CG1 C 13 17.469 0.006 A 57 ILE CG2 C 13 17.497 0.006 A 57 ILE N N 15 127.731 0.006 A 58 PRO HA H 1 4.324 0.013 A 58 PRO HBx H 1 1.811 0.025 A 58 PRO HBy H 1 2.196 0.011 A 58 PRO HDy H 1 4.002 0.011 A 58 PRO HDx H 1 3.448 0.005 A 58 PRO HGy H 1 2.037 0.007 A 58 PRO HGx H 1 1.863 0.013 A 58 PRO CA C 13 62.949 0.051 A 58 PRO CB C 13 31.911 0.006 A 58 PRO CD C 13 52.130 0.063 A 58 PRO CG C 13 26.912 0.003 A 59 GLY H H 1 9.679 0.006 A 59 GLY HAy H 1 4.037 0.004 A 59 GLY HAx H 1 3.794 0.012 A 59 GLY CA C 13 45.178 0.006 A 59 GLY N N 15 113.877 0.006 A 60 PHE H H 1 8.095 0.006 A 60 PHE HA H 1 5.093 0.011 A 60 PHE HBy H 1 3.152 0.007 A 60 PHE HBx H 1 3.028 0.005 A 60 PHE HDx H 1 7.271 0.008 A 60 PHE HDy H 1 7.271 0.008 A 60 PHE HEx H 1 7.156 0.013 A 60 PHE HEy H 1 7.156 0.013 A 60 PHE CA C 13 56.745 0.089 A 60 PHE CB C 13 39.693 0.063 A 60 PHE N N 15 118.955 0.006 A 61 MET H H 1 8.088 0.001 A 61 MET HA H 1 5.311 0.010 A 61 MET HBx H 1 1.399 0.014 A 61 MET HBy H 1 2.149 0.010 A 61 MET HE% H 1 1.260 0.008 A 61 MET CA C 13 54.802 0.006 A 61 MET CB C 13 34.892 0.006 A 61 MET CE C 13 18.295 0.006 A 61 MET CG C 13 28.910 0.006 A 61 MET N N 15 110.963 0.006 A 62 CYS H H 1 8.474 0.001 A 62 CYS HA H 1 4.873 0.004 A 62 CYS HBy H 1 2.969 0.012 A 62 CYS HBx H 1 2.488 0.010 A 62 CYS HG H 1 1.618 0.018 A 62 CYS CA C 13 57.335 0.006 A 62 CYS N N 15 114.627 0.006 A 63 GLN H H 1 9.651 0.003 A 63 GLN HA H 1 5.376 0.007 A 63 GLN HBy H 1 2.145 0.004 A 63 GLN HBx H 1 1.794 0.008 A 63 GLN HE2x H 1 6.979 0.006 A 63 GLN HE2y H 1 6.979 0.006 A 63 GLN HGy H 1 2.534 0.013 A 63 GLN HGx H 1 1.980 0.006 A 63 GLN CA C 13 54.524 0.104 A 63 GLN CB C 13 30.400 0.006 A 63 GLN CG C 13 33.050 0.050 A 63 GLN N N 15 126.463 0.006 A 63 GLN NE2 N 15 109.141 0.006 A 64 GLY H H 1 7.352 0.010 A 64 GLY HAx H 1 3.394 1.041 A 64 GLY HAy H 1 4.711 0.006 A 64 GLY CA C 13 44.400 0.010 A 64 GLY N N 15 110.531 0.006 A 65 GLY H H 1 9.292 0.006 A 65 GLY HAx H 1 3.784 0.001 A 65 GLY HAy H 1 4.773 0.001 A 65 GLY CA C 13 46.425 0.005 A 65 GLY N N 15 105.572 0.006 A 66 ASP H H 1 9.910 0.006 A 66 ASP HA H 1 4.290 0.007 A 66 ASP HBy H 1 2.929 0.005 A 66 ASP HBx H 1 1.699 0.006 A 66 ASP CA C 13 51.505 0.006 A 66 ASP CB C 13 38.702 0.037 A 66 ASP N N 15 123.656 0.006 A 67 PHE H H 1 6.624 0.001 A 67 PHE HA H 1 4.597 0.004 A 67 PHE HBy H 1 3.920 0.005 A 67 PHE HBx H 1 2.570 0.008 A 67 PHE HDx H 1 7.180 0.009 A 67 PHE HDy H 1 7.180 0.009 A 67 PHE HEx H 1 7.318 0.005 A 67 PHE HEy H 1 7.318 0.005 A 67 PHE HZ H 1 7.411 0.008 A 67 PHE CA C 13 55.784 0.006 A 67 PHE CB C 13 39.357 0.038 A 67 PHE N N 15 115.914 0.006 A 68 THR H H 1 7.320 0.006 A 68 THR HA H 1 4.638 0.004 A 68 THR HB H 1 4.096 0.008 A 68 THR HG2% H 1 0.679 0.010 A 68 THR CA C 13 61.621 0.006 A 68 THR CB C 13 68.789 0.097 A 68 THR CG2 C 13 22.780 0.006 A 68 THR N N 15 108.853 0.006 A 69 ARG H H 1 8.655 0.006 A 69 ARG HA H 1 4.362 0.010 A 69 ARG HBy H 1 1.872 0.004 A 69 ARG HBx H 1 1.602 0.007 A 69 ARG HDy H 1 3.055 0.006 A 69 ARG HDx H 1 2.944 0.005 A 69 ARG HGy H 1 1.459 0.011 A 69 ARG HGx H 1 1.369 0.006 A 69 ARG CA C 13 55.028 0.006 A 69 ARG CB C 13 31.703 0.006 A 69 ARG CD C 13 42.942 0.006 A 69 ARG CG C 13 26.514 0.006 A 69 ARG N N 15 121.780 0.006 A 70 HIS H H 1 6.838 0.006 A 70 HIS HA H 1 4.398 0.009 A 70 HIS HBx H 1 3.219 0.002 A 70 HIS HBy H 1 3.219 0.002 A 70 HIS HD2 H 1 6.650 0.004 A 70 HIS CA C 13 57.135 0.006 A 70 HIS CB C 13 28.434 0.006 A 70 HIS N N 15 112.009 0.006 A 71 ASN H H 1 7.519 0.006 A 71 ASN HA H 1 4.595 0.003 A 71 ASN HBy H 1 3.138 0.005 A 71 ASN HBx H 1 2.655 0.009 A 71 ASN HD2y H 1 7.630 0.006 A 71 ASN HD2x H 1 6.778 0.006 A 71 ASN CA C 13 52.160 0.006 A 71 ASN CB C 13 38.707 0.006 A 71 ASN N N 15 112.340 0.006 A 71 ASN ND2 N 15 110.308 0.008 A 72 GLY H H 1 9.619 0.001 A 72 GLY HAy H 1 4.399 0.004 A 72 GLY HAx H 1 3.165 0.013 A 72 GLY CA C 13 44.573 0.007 A 72 GLY N N 15 110.239 0.006 A 73 THR H H 1 7.930 0.006 A 73 THR HA H 1 4.487 0.009 A 73 THR HB H 1 4.252 0.007 A 73 THR HG1 H 1 5.773 0.006 A 73 THR HG2% H 1 1.024 0.005 A 73 THR CA C 13 62.070 0.006 A 73 THR CB C 13 70.762 0.006 A 73 THR CG2 C 13 20.925 0.006 A 73 THR N N 15 111.802 0.006 A 74 GLY H H 1 8.669 0.006 A 74 GLY HAy H 1 4.466 0.015 A 74 GLY HAx H 1 3.464 0.005 A 74 GLY CA C 13 44.908 0.098 A 74 GLY N N 15 113.668 0.006 A 75 GLY H H 1 8.066 0.002 A 75 GLY HAy H 1 4.551 0.014 A 75 GLY HAx H 1 2.537 0.003 A 75 GLY CA C 13 43.037 0.067 A 75 GLY N N 15 108.813 0.006 A 76 LYS H H 1 6.981 0.001 A 76 LYS HA H 1 4.585 0.001 A 76 LYS HBx H 1 1.547 0.003 A 76 LYS HBy H 1 1.887 0.013 A 76 LYS HDx H 1 1.195 0.006 A 76 LYS HDy H 1 1.198 0.011 A 76 LYS HEy H 1 2.170 0.004 A 76 LYS HEx H 1 1.508 0.019 A 76 LYS HGy H 1 0.976 0.006 A 76 LYS HGx H 1 0.916 0.010 A 76 LYS CA C 13 55.707 0.006 A 76 LYS CB C 13 34.515 0.051 A 76 LYS CD C 13 29.256 0.006 A 76 LYS CE C 13 41.093 0.158 A 76 LYS CG C 13 23.270 0.006 A 76 LYS N N 15 115.526 0.006 A 77 SER HA H 1 5.185 0.009 A 77 SER HBx H 1 4.247 0.010 A 77 SER HBy H 1 4.247 0.010 A 77 SER HG H 1 5.102 0.003 A 77 SER CA C 13 56.816 0.006 A 77 SER CB C 13 69.687 0.006 A 77 SER N N 15 114.105 0.006 A 78 ILE H H 1 8.557 0.001 A 78 ILE HA H 1 4.170 0.007 A 78 ILE HB H 1 1.700 0.010 A 78 ILE HD1% H 1 0.475 0.005 A 78 ILE HG1y H 1 0.644 0.011 A 78 ILE HG1x H 1 -0.470 0.005 A 78 ILE HG2% H 1 0.715 0.005 A 78 ILE CA C 13 63.517 0.000 A 78 ILE CB C 13 37.308 0.024 A 78 ILE CD1 C 13 14.024 0.006 A 78 ILE CG1 C 13 22.957 0.014 A 78 ILE CG2 C 13 17.477 0.006 A 78 ILE N N 15 110.963 0.006 A 79 TYR H H 1 8.007 0.006 A 79 TYR HA H 1 4.667 0.008 A 79 TYR HBx H 1 2.328 0.004 A 79 TYR HBy H 1 3.428 0.007 A 79 TYR HDx H 1 6.410 0.004 A 79 TYR HDy H 1 6.410 0.004 A 79 TYR HEx H 1 6.086 0.007 A 79 TYR HEy H 1 6.086 0.007 A 79 TYR CA C 13 56.147 0.006 A 79 TYR CB C 13 38.725 0.129 A 79 TYR N N 15 120.472 0.006 A 80 GLY H H 1 7.115 0.006 A 80 GLY HAy H 1 4.602 0.006 A 80 GLY HAx H 1 3.790 0.005 A 80 GLY CA C 13 43.748 0.053 A 80 GLY N N 15 106.402 0.006 A 81 GLU H H 1 8.878 0.006 A 81 GLU HA H 1 3.946 0.020 A 81 GLU HBy H 1 2.071 0.004 A 81 GLU HBx H 1 2.070 0.004 A 81 GLU HGy H 1 2.345 0.012 A 81 GLU HGx H 1 2.242 0.012 A 81 GLU CA C 13 60.138 0.006 A 81 GLU CB C 13 30.108 0.006 A 81 GLU CG C 13 36.450 0.105 A 81 GLU N N 15 122.838 0.006 A 82 LYS H H 1 7.799 0.001 A 82 LYS HA H 1 5.525 0.028 A 82 LYS HBy H 1 1.645 0.015 A 82 LYS HBx H 1 1.557 0.005 A 82 LYS HDx H 1 1.508 0.006 A 82 LYS HDy H 1 1.546 0.006 A 82 LYS HEy H 1 2.909 0.006 A 82 LYS HEx H 1 2.908 0.006 A 82 LYS HGx H 1 1.244 0.013 A 82 LYS HGy H 1 1.244 0.013 A 82 LYS CA C 13 53.775 0.112 A 82 LYS CB C 13 36.311 0.006 A 82 LYS CD C 13 28.990 0.006 A 82 LYS CE C 13 42.004 0.006 A 82 LYS CG C 13 24.278 0.006 A 83 PHE H H 1 9.147 0.006 A 83 PHE HA H 1 4.945 0.005 A 83 PHE HBx H 1 3.015 0.004 A 83 PHE HBy H 1 3.015 0.004 A 83 PHE HDx H 1 7.325 0.019 A 83 PHE HDy H 1 7.325 0.019 A 83 PHE HEx H 1 7.512 0.008 A 83 PHE HEy H 1 7.512 0.008 A 83 PHE HZ H 1 7.388 0.002 A 83 PHE CA C 13 55.737 0.006 A 83 PHE CB C 13 41.294 0.006 A 83 PHE N N 15 116.432 0.006 A 84 GLU H H 1 9.252 0.003 A 84 GLU HA H 1 3.802 0.002 A 84 GLU HBy H 1 2.018 0.005 A 84 GLU HBx H 1 1.831 0.009 A 84 GLU HGy H 1 2.279 0.005 A 84 GLU HGx H 1 2.049 0.010 A 84 GLU CA C 13 56.197 0.006 A 84 GLU CB C 13 29.105 0.015 A 84 GLU CG C 13 35.276 0.089 A 84 GLU N N 15 119.352 0.006 A 85 ASP H H 1 8.593 0.001 A 85 ASP HA H 1 4.226 0.006 A 85 ASP HBy H 1 2.402 0.005 A 85 ASP HBx H 1 1.916 0.004 A 85 ASP CA C 13 53.974 0.096 A 85 ASP CB C 13 40.785 0.044 A 85 ASP N N 15 118.583 0.006 A 86 GLU H H 1 9.461 0.002 A 86 GLU HA H 1 3.795 0.006 A 86 GLU HBy H 1 2.121 0.012 A 86 GLU HBx H 1 1.826 0.004 A 86 GLU HGx H 1 2.357 0.001 A 86 GLU HGy H 1 2.357 0.001 A 86 GLU CA C 13 60.273 0.104 A 86 GLU CB C 13 31.639 0.006 A 86 GLU CG C 13 35.114 0.006 A 86 GLU N N 15 131.488 0.006 A 87 ASN H H 1 7.044 0.002 A 87 ASN HA H 1 4.130 0.006 A 87 ASN HBx H 1 2.739 0.006 A 87 ASN HBy H 1 3.449 0.006 A 87 ASN HD2y H 1 7.956 0.003 A 87 ASN HD2x H 1 6.891 0.005 A 87 ASN CA C 13 52.589 0.006 A 87 ASN CB C 13 39.349 0.076 A 87 ASN N N 15 106.549 0.006 A 87 ASN ND2 N 15 116.687 0.004 A 88 PHE H H 1 8.319 0.013 A 88 PHE HA H 1 5.927 0.004 A 88 PHE HBy H 1 3.528 0.007 A 88 PHE HBx H 1 2.534 0.008 A 88 PHE HDx H 1 7.252 0.009 A 88 PHE HDy H 1 7.252 0.009 A 88 PHE HEx H 1 6.858 0.009 A 88 PHE HEy H 1 6.858 0.009 A 88 PHE CA C 13 55.688 0.006 A 88 PHE CB C 13 38.820 0.079 A 88 PHE N N 15 112.731 0.006 A 89 ILE H H 1 8.302 0.001 A 89 ILE HA H 1 3.652 0.009 A 89 ILE HB H 1 1.543 0.004 A 89 ILE HD1% H 1 0.904 0.009 A 89 ILE HG1y H 1 1.481 0.009 A 89 ILE HG1x H 1 1.148 0.012 A 89 ILE HG2% H 1 0.842 0.007 A 89 ILE CA C 13 64.887 0.092 A 89 ILE CB C 13 38.939 0.081 A 89 ILE CD1 C 13 13.560 0.006 A 89 ILE CG1 C 13 29.236 0.004 A 89 ILE CG2 C 13 16.828 0.006 A 89 ILE N N 15 119.556 0.006 A 90 LEU H H 1 7.746 0.002 A 90 LEU HA H 1 4.456 0.003 A 90 LEU HBy H 1 1.816 0.006 A 90 LEU HBx H 1 1.367 0.008 A 90 LEU HDx% H 1 0.750 0.006 A 90 LEU HDy% H 1 0.649 0.009 A 90 LEU HG H 1 1.447 0.011 A 90 LEU CA C 13 54.185 0.006 A 90 LEU CB C 13 41.910 0.072 A 90 LEU CDy C 13 26.708 0.080 A 90 LEU CDx C 13 22.451 0.010 A 90 LEU CG C 13 27.021 0.006 A 90 LEU N N 15 116.951 0.006 A 91 LYS H H 1 8.057 0.002 A 91 LYS HA H 1 4.628 0.009 A 91 LYS HBx H 1 1.539 0.009 A 91 LYS HBy H 1 2.265 0.001 A 91 LYS HDy H 1 1.619 0.004 A 91 LYS HDx H 1 1.569 0.010 A 91 LYS HEy H 1 3.006 0.009 A 91 LYS HEx H 1 3.001 0.001 A 91 LYS HGy H 1 1.446 0.004 A 91 LYS HGx H 1 1.344 0.006 A 91 LYS CA C 13 54.315 0.006 A 91 LYS CB C 13 34.550 0.014 A 91 LYS CD C 13 28.125 0.003 A 91 LYS CE C 13 42.294 0.006 A 91 LYS CG C 13 25.726 0.006 A 91 LYS N N 15 118.722 0.000 A 92 HIS H H 1 10.706 0.006 A 92 HIS HA H 1 4.342 0.005 A 92 HIS HBx H 1 2.880 0.005 A 92 HIS HBy H 1 3.144 0.008 A 92 HIS HD1 H 1 12.134 0.001 A 92 HIS HD2 H 1 6.745 0.009 A 92 HIS HE1 H 1 8.051 0.016 A 92 HIS CA C 13 56.756 0.006 A 92 HIS CB C 13 25.895 0.010 A 92 HIS N N 15 122.221 0.006 A 93 THR H H 1 7.261 0.004 A 93 THR HA H 1 4.004 0.009 A 93 THR HB H 1 4.439 0.012 A 93 THR HG2% H 1 1.206 0.008 A 93 THR CA C 13 63.018 0.006 A 93 THR CB C 13 69.341 0.006 A 93 THR CG2 C 13 22.595 0.006 A 93 THR N N 15 110.178 0.006 A 94 GLY H H 1 7.489 0.004 A 94 GLY HAy H 1 4.368 0.010 A 94 GLY HAx H 1 3.640 0.005 A 94 GLY CA C 13 45.454 0.048 A 94 GLY N N 15 106.990 0.006 A 95 PRO HA H 1 3.804 0.008 A 95 PRO HBx H 1 1.840 0.011 A 95 PRO HBy H 1 2.016 0.005 A 95 PRO HDy H 1 3.607 0.010 A 95 PRO HDx H 1 3.393 0.007 A 95 PRO HGy H 1 2.122 0.009 A 95 PRO HGx H 1 1.833 0.006 A 95 PRO CA C 13 62.539 0.006 A 95 PRO CB C 13 31.959 0.006 A 95 PRO CD C 13 49.688 0.059 A 95 PRO CG C 13 27.321 0.006 A 96 GLY H H 1 9.271 0.002 A 96 GLY HAy H 1 4.569 0.010 A 96 GLY HAx H 1 3.331 0.004 A 96 GLY CA C 13 44.829 0.006 A 96 GLY N N 15 109.908 0.006 A 97 ILE H H 1 6.765 0.003 A 97 ILE HA H 1 4.115 0.006 A 97 ILE HB H 1 2.226 0.005 A 97 ILE HD1% H 1 0.966 0.016 A 97 ILE HG1y H 1 1.805 0.007 A 97 ILE HG1x H 1 1.651 0.013 A 97 ILE HG2% H 1 0.981 0.002 A 97 ILE CA C 13 59.311 0.031 A 97 ILE CB C 13 37.758 0.006 A 97 ILE CD1 C 13 8.988 0.006 A 97 ILE CG1 C 13 28.868 0.006 A 97 ILE CG2 C 13 20.192 0.006 A 97 ILE N N 15 121.176 0.006 A 98 LEU H H 1 7.872 0.008 A 98 LEU HA H 1 4.998 0.006 A 98 LEU HBy H 1 0.151 0.015 A 98 LEU HBx H 1 0.085 0.009 A 98 LEU HDx% H 1 -0.170 0.009 A 98 LEU HDy% H 1 -0.601 0.014 A 98 LEU HG H 1 0.404 0.020 A 98 LEU CA C 13 53.233 0.071 A 98 LEU CB C 13 43.625 0.091 A 98 LEU CDx C 13 24.144 0.008 A 98 LEU CDy C 13 25.056 0.006 A 98 LEU CG C 13 26.355 0.006 A 98 LEU N N 15 128.477 0.006 A 99 SER H H 1 8.285 0.002 A 99 SER HA H 1 5.316 0.005 A 99 SER HBy H 1 3.094 0.158 A 99 SER HBx H 1 2.863 0.030 A 99 SER CA C 13 54.909 0.006 A 99 SER CB C 13 65.380 0.072 A 99 SER N N 15 118.325 0.006 A 100 MET H H 1 8.544 0.003 A 100 MET HA H 1 5.259 0.008 A 100 MET HBy H 1 2.568 0.008 A 100 MET HBx H 1 2.289 0.009 A 100 MET HE% H 1 2.079 0.004 A 100 MET HGy H 1 2.792 0.010 A 100 MET HGx H 1 2.429 0.008 A 100 MET CA C 13 53.800 0.059 A 100 MET CB C 13 30.960 0.006 A 100 MET CE C 13 16.109 0.006 A 100 MET CG C 13 31.929 0.034 A 100 MET N N 15 122.826 0.006 A 101 ALA H H 1 7.999 0.002 A 101 ALA HA H 1 4.276 0.022 A 101 ALA HB% H 1 1.104 0.013 A 101 ALA CA C 13 51.498 0.125 A 101 ALA CB C 13 19.403 0.006 A 101 ALA N N 15 125.971 0.006 A 102 ASN H H 1 8.097 0.006 A 102 ASN HA H 1 4.576 0.011 A 102 ASN HBy H 1 3.250 0.010 A 102 ASN HBx H 1 2.894 0.019 A 102 ASN HD2y H 1 7.887 0.006 A 102 ASN HD2x H 1 6.162 0.006 A 102 ASN CA C 13 53.841 0.006 A 102 ASN CB C 13 40.379 0.081 A 102 ASN N N 15 113.207 0.006 A 102 ASN ND2 N 15 119.431 0.001 A 103 ALA H H 1 8.787 0.001 A 103 ALA HA H 1 4.785 0.007 A 103 ALA HB% H 1 1.303 0.006 A 103 ALA CA C 13 50.154 0.006 A 103 ALA CB C 13 19.029 0.006 A 103 ALA N N 15 123.056 0.006 A 104 GLY H H 1 8.111 0.006 A 104 GLY HAy H 1 4.596 0.006 A 104 GLY HAx H 1 3.713 0.011 A 104 GLY CA C 13 43.409 0.086 A 104 GLY N N 15 108.942 0.006 A 105 PRO HA H 1 4.327 0.004 A 105 PRO HBx H 1 1.803 0.006 A 105 PRO HBy H 1 2.323 0.006 A 105 PRO HDy H 1 3.605 0.009 A 105 PRO HDx H 1 3.517 0.004 A 105 PRO HGy H 1 2.110 0.006 A 105 PRO HGx H 1 1.953 0.007 A 105 PRO CA C 13 63.883 0.096 A 105 PRO CB C 13 31.902 0.003 A 105 PRO CD C 13 49.236 0.061 A 105 PRO CG C 13 27.573 0.000 A 106 ASN H H 1 8.866 0.002 A 106 ASN HA H 1 3.997 0.006 A 106 ASN HBy H 1 3.084 0.009 A 106 ASN HBx H 1 2.662 0.006 A 106 ASN HD2y H 1 7.740 0.003 A 106 ASN HD2x H 1 7.081 0.002 A 106 ASN CA C 13 54.103 0.104 A 106 ASN CB C 13 36.992 0.122 A 106 ASN N N 15 118.866 0.006 A 106 ASN ND2 N 15 116.035 0.008 A 107 THR H H 1 10.165 0.003 A 107 THR HA H 1 4.434 0.014 A 107 THR HB H 1 4.383 0.013 A 107 THR HG1 H 1 4.673 0.011 A 107 THR HG2% H 1 0.882 0.006 A 107 THR CA C 13 60.040 0.006 A 107 THR CG2 C 13 21.011 0.006 A 107 THR N N 15 109.971 0.006 A 108 ASN H H 1 7.349 0.006 A 108 ASN HA H 1 4.215 0.013 A 108 ASN HBy H 1 1.544 0.012 A 108 ASN HBx H 1 0.920 0.008 A 108 ASN HD2x H 1 5.749 0.006 A 108 ASN HD2y H 1 7.446 0.006 A 108 ASN CA C 13 55.448 0.006 A 108 ASN CB C 13 39.600 0.001 A 108 ASN N N 15 120.251 0.006 A 108 ASN ND2 N 15 112.748 0.013 A 109 GLY H H 1 9.188 0.017 A 109 GLY HAy H 1 4.595 0.007 A 109 GLY HAx H 1 3.627 0.007 A 109 GLY CA C 13 46.039 0.006 A 109 GLY N N 15 110.632 0.006 A 110 SER H H 1 8.738 0.003 A 110 SER HA H 1 4.698 0.009 A 110 SER HBy H 1 4.604 0.005 A 110 SER HBx H 1 4.382 0.017 A 110 SER HG H 1 4.926 0.006 A 110 SER CA C 13 57.454 0.006 A 110 SER CB C 13 65.964 0.001 A 110 SER N N 15 116.806 0.006 A 111 GLN H H 1 8.388 0.006 A 111 GLN HA H 1 5.168 0.005 A 111 GLN HBy H 1 2.199 0.009 A 111 GLN HBx H 1 2.069 0.006 A 111 GLN HE2y H 1 7.299 0.003 A 111 GLN HE2x H 1 6.186 0.003 A 111 GLN HGy H 1 2.433 0.009 A 111 GLN HGx H 1 1.843 0.009 A 111 GLN CA C 13 57.494 0.006 A 111 GLN CB C 13 31.632 0.006 A 111 GLN CG C 13 35.244 0.094 A 111 GLN N N 15 124.263 0.006 A 111 GLN NE2 N 15 110.985 0.013 A 112 PHE H H 1 8.058 0.006 A 112 PHE HA H 1 5.714 0.014 A 112 PHE HBx H 1 3.279 0.009 A 112 PHE HBy H 1 3.279 0.009 A 112 PHE HEx H 1 6.769 0.020 A 112 PHE HEy H 1 6.769 0.020 A 112 PHE CA C 13 55.447 0.068 A 112 PHE CB C 13 43.000 0.006 A 112 PHE N N 15 117.560 0.006 A 113 PHE H H 1 9.795 0.005 A 113 PHE HA H 1 5.670 0.007 A 113 PHE HBy H 1 2.885 0.012 A 113 PHE HBx H 1 2.832 0.010 A 113 PHE HDx H 1 6.817 0.012 A 113 PHE HDy H 1 6.817 0.012 A 113 PHE HEx H 1 6.750 0.007 A 113 PHE HEy H 1 6.750 0.007 A 113 PHE HZ H 1 6.894 0.011 A 113 PHE CA C 13 54.437 0.107 A 113 PHE CB C 13 42.617 0.002 A 113 PHE N N 15 116.199 0.006 A 114 ILE H H 1 9.098 0.006 A 114 ILE HA H 1 4.794 0.006 A 114 ILE HB H 1 1.801 0.010 A 114 ILE HD1% H 1 1.205 0.006 A 114 ILE HG1y H 1 2.058 0.185 A 114 ILE HG1x H 1 1.084 0.008 A 114 ILE HG2% H 1 0.838 0.004 A 114 ILE CA C 13 60.060 0.006 A 114 ILE CB C 13 40.162 0.099 A 114 ILE CD1 C 13 14.958 0.006 A 114 ILE CG1 C 13 27.167 0.003 A 114 ILE N N 15 118.391 0.006 A 115 CYS H H 1 9.597 0.009 A 115 CYS HA H 1 4.752 0.004 A 115 CYS HBx H 1 3.095 0.008 A 115 CYS HBy H 1 3.468 0.021 A 115 CYS CA C 13 60.672 0.006 A 115 CYS CB C 13 42.738 0.010 A 115 CYS N N 15 125.271 0.006 A 116 THR H H 1 8.947 0.006 A 116 THR HA H 1 4.324 0.009 A 116 THR HB H 1 4.425 0.012 A 116 THR HG2% H 1 0.824 0.004 A 116 THR CA C 13 60.720 0.067 A 116 THR CB C 13 66.502 0.006 A 116 THR N N 15 115.478 0.006 A 117 ALA H H 1 7.602 0.008 A 117 ALA HA H 1 4.358 0.006 A 117 ALA HB% H 1 1.412 0.007 A 117 ALA CA C 13 50.511 0.108 A 117 ALA CB C 13 22.608 0.006 A 117 ALA N N 15 121.996 0.006 A 118 LYS H H 1 8.690 0.002 A 118 LYS HA H 1 3.779 0.003 A 118 LYS HBy H 1 1.959 0.010 A 118 LYS HBx H 1 1.632 0.007 A 118 LYS HDx H 1 1.743 0.006 A 118 LYS HDy H 1 1.743 0.006 A 118 LYS HEx H 1 3.016 0.007 A 118 LYS HEy H 1 3.016 0.007 A 118 LYS HGy H 1 1.504 0.010 A 118 LYS HGx H 1 1.500 0.007 A 118 LYS CA C 13 57.664 0.006 A 118 LYS CB C 13 32.499 0.002 A 118 LYS CD C 13 29.529 0.000 A 118 LYS CE C 13 41.735 0.006 A 118 LYS CG C 13 24.577 0.006 A 118 LYS N N 15 119.550 0.006 A 119 THR H H 1 7.328 0.006 A 119 THR HA H 1 3.623 0.005 A 119 THR HB H 1 2.815 0.009 A 119 THR HG1 H 1 3.054 0.019 A 119 THR HG2% H 1 0.974 0.006 A 119 THR CA C 13 57.088 0.103 A 119 THR N N 15 118.759 0.006 A 120 GLU H H 1 9.092 0.001 A 120 GLU HA H 1 4.120 0.007 A 120 GLU HBy H 1 2.189 0.006 A 120 GLU HBx H 1 2.114 0.009 A 120 GLU HGy H 1 2.508 0.011 A 120 GLU HGx H 1 2.399 0.013 A 120 GLU CA C 13 59.072 0.006 A 120 GLU CG C 13 35.378 0.054 A 120 GLU N N 15 124.407 0.006 A 121 TRP H H 1 7.251 0.007 A 121 TRP HA H 1 4.653 0.007 A 121 TRP HBy H 1 3.375 0.009 A 121 TRP HBx H 1 3.326 0.011 A 121 TRP HD1 H 1 7.019 0.005 A 121 TRP HE1 H 1 9.697 0.005 A 121 TRP HE3 H 1 7.660 0.010 A 121 TRP HH2 H 1 7.116 0.008 A 121 TRP HZ2 H 1 6.607 0.020 A 121 TRP HZ3 H 1 7.316 0.016 A 121 TRP CA C 13 59.461 0.006 A 121 TRP CB C 13 26.750 0.009 A 121 TRP N N 15 117.495 0.006 A 121 TRP NE1 N 15 129.802 0.006 A 122 LEU H H 1 7.019 0.019 A 122 LEU HA H 1 4.251 0.011 A 122 LEU HBx H 1 0.110 0.006 A 122 LEU HBy H 1 1.164 0.033 A 122 LEU HDx% H 1 0.373 0.007 A 122 LEU HDy% H 1 0.676 0.022 A 122 LEU HG H 1 0.369 0.007 A 122 LEU CA C 13 54.500 0.006 A 122 LEU CB C 13 38.899 0.024 A 122 LEU CG C 13 25.995 0.006 A 122 LEU N N 15 119.528 0.006 A 123 ASP H H 1 7.607 0.002 A 123 ASP HA H 1 5.165 0.012 A 123 ASP HBy H 1 2.927 0.004 A 123 ASP HBx H 1 2.692 0.011 A 123 ASP CA C 13 55.856 0.006 A 123 ASP CB C 13 39.372 0.046 A 123 ASP N N 15 121.832 0.006 A 124 GLY H H 1 9.522 0.019 A 124 GLY HAy H 1 3.888 0.005 A 124 GLY HAx H 1 2.877 0.002 A 124 GLY CA C 13 45.023 0.006 A 124 GLY N N 15 110.836 0.006 A 125 LYS H H 1 7.727 0.006 A 125 LYS HA H 1 4.109 0.001 A 125 LYS HBy H 1 1.817 0.007 A 125 LYS HBx H 1 1.684 0.016 A 125 LYS HDx H 1 1.675 0.006 A 125 LYS HDy H 1 1.675 0.006 A 125 LYS HEx H 1 3.003 0.008 A 125 LYS HEy H 1 3.003 0.008 A 125 LYS HGy H 1 1.248 0.010 A 125 LYS HGx H 1 1.220 0.008 A 125 LYS CA C 13 56.248 0.131 A 125 LYS CB C 13 35.389 0.040 A 125 LYS CD C 13 28.980 0.006 A 125 LYS CE C 13 42.014 0.006 A 125 LYS N N 15 115.016 0.006 A 126 HIS H H 1 7.571 0.006 A 126 HIS HA H 1 4.799 0.001 A 126 HIS HBx H 1 3.186 0.003 A 126 HIS HBy H 1 3.990 0.002 A 126 HIS HD1 H 1 8.175 0.006 A 126 HIS HD2 H 1 6.941 0.026 A 126 HIS CA C 13 54.559 0.006 A 126 HIS N N 15 119.223 0.006 A 127 VAL H H 1 8.474 0.001 A 127 VAL HA H 1 4.258 0.003 A 127 VAL HB H 1 1.997 0.006 A 127 VAL HGx% H 1 1.133 0.004 A 127 VAL HGy% H 1 1.023 0.004 A 127 VAL CA C 13 63.647 0.006 A 127 VAL CB C 13 33.416 0.006 A 127 VAL N N 15 124.730 0.006 A 128 VAL H H 1 9.470 0.004 A 128 VAL HA H 1 4.150 0.007 A 128 VAL HB H 1 1.703 0.008 A 128 VAL HGx% H 1 0.079 0.003 A 128 VAL HGy% H 1 0.927 0.012 A 128 VAL CB C 13 31.369 0.006 A 128 VAL N N 15 132.814 0.006 A 129 PHE H H 1 8.086 0.012 A 129 PHE HA H 1 5.253 0.005 A 129 PHE HBy H 1 3.106 0.008 A 129 PHE HBx H 1 2.496 0.006 A 129 PHE CA C 13 55.907 0.006 A 129 PHE CB C 13 42.456 0.054 A 129 PHE N N 15 117.478 0.006 A 130 GLY H H 1 7.297 0.004 A 130 GLY HAy H 1 3.156 0.004 A 130 GLY HAx H 1 2.980 0.005 A 130 GLY CA C 13 46.394 0.058 A 130 GLY N N 15 110.497 0.006 A 131 LYS H H 1 8.353 0.008 A 131 LYS HA H 1 5.207 0.005 A 131 LYS HBx H 1 1.816 0.006 A 131 LYS HBy H 1 1.818 0.007 A 131 LYS HDy H 1 1.773 0.015 A 131 LYS HDx H 1 1.676 0.010 A 131 LYS HEy H 1 2.967 0.012 A 131 LYS HEx H 1 2.965 0.007 A 131 LYS HGy H 1 1.498 0.006 A 131 LYS HGx H 1 1.039 0.005 A 131 LYS CA C 13 54.795 0.062 A 131 LYS CB C 13 35.852 0.006 A 131 LYS CD C 13 29.339 0.010 A 131 LYS CE C 13 41.917 0.127 A 131 LYS N N 15 115.059 0.006 A 132 VAL H H 1 9.015 0.011 A 132 VAL HA H 1 3.888 0.010 A 132 VAL HB H 1 1.911 0.002 A 132 VAL HGx% H 1 0.588 0.005 A 132 VAL HGy% H 1 1.031 0.004 A 132 VAL CA C 13 63.947 0.020 A 132 VAL CB C 13 32.547 0.006 A 132 VAL CGy C 13 22.931 0.006 A 132 VAL N N 15 123.802 0.006 A 133 LYS H H 1 9.469 0.002 A 133 LYS HA H 1 4.424 0.007 A 133 LYS HBy H 1 1.709 0.014 A 133 LYS HBx H 1 1.636 0.005 A 133 LYS HDx H 1 1.620 0.006 A 133 LYS HDy H 1 1.620 0.006 A 133 LYS HEx H 1 2.951 0.008 A 133 LYS HEy H 1 2.951 0.008 A 133 LYS HGy H 1 1.443 0.003 A 133 LYS HGx H 1 1.301 0.010 A 133 LYS CA C 13 56.659 0.006 A 133 LYS CB C 13 33.867 0.066 A 133 LYS CE C 13 41.326 0.006 A 133 LYS CG C 13 24.588 0.010 A 133 LYS N N 15 131.324 0.006 A 134 GLU H H 1 7.543 0.002 A 134 GLU HA H 1 4.559 0.006 A 134 GLU HBy H 1 1.946 0.005 A 134 GLU HBx H 1 1.850 0.007 A 134 GLU HGy H 1 2.182 0.009 A 134 GLU HGx H 1 2.151 0.012 A 134 GLU CA C 13 55.148 0.006 A 134 GLU CB C 13 32.736 0.027 A 134 GLU CG C 13 36.572 0.002 A 134 GLU N N 15 118.178 0.006 A 135 GLY H H 1 8.693 0.006 A 135 GLY HAy H 1 4.731 0.009 A 135 GLY HAx H 1 3.980 0.003 A 135 GLY CA C 13 45.867 0.030 A 135 GLY N N 15 107.767 0.006 A 136 MET H H 1 8.790 0.015 A 136 MET HA H 1 4.437 0.005 A 136 MET HBx H 1 1.919 0.014 A 136 MET HBy H 1 2.090 0.005 A 136 MET HE% H 1 1.981 0.005 A 136 MET HGy H 1 2.758 0.006 A 136 MET HGx H 1 2.593 0.006 A 136 MET CA C 13 56.659 0.006 A 136 MET CB C 13 30.025 0.002 A 136 MET CE C 13 17.147 0.006 A 136 MET CG C 13 32.855 0.109 A 136 MET N N 15 122.307 0.006 A 137 ASN H H 1 8.849 0.003 A 137 ASN HA H 1 4.450 0.004 A 137 ASN HBy H 1 2.814 0.010 A 137 ASN HBx H 1 2.782 0.021 A 137 ASN HD2y H 1 7.755 0.003 A 137 ASN HD2x H 1 7.028 0.006 A 137 ASN CA C 13 55.926 0.114 A 137 ASN CB C 13 35.817 0.005 A 137 ASN N N 15 114.221 0.006 A 137 ASN ND2 N 15 114.611 0.003 A 138 ILE H H 1 7.642 0.002 A 138 ILE HA H 1 3.750 0.004 A 138 ILE HB H 1 2.441 0.006 A 138 ILE HD1% H 1 0.653 0.003 A 138 ILE HG1y H 1 1.507 0.010 A 138 ILE HG1x H 1 1.275 0.009 A 138 ILE HG2% H 1 0.630 0.006 A 138 ILE CA C 13 61.331 0.006 A 138 ILE CB C 13 34.340 0.055 A 138 ILE CG1 C 13 26.972 0.006 A 138 ILE N N 15 123.949 0.006 A 139 VAL H H 1 7.244 0.006 A 139 VAL HA H 1 3.844 0.007 A 139 VAL HB H 1 2.444 0.014 A 139 VAL HGx% H 1 0.805 0.004 A 139 VAL HGy% H 1 1.019 0.009 A 139 VAL CA C 13 66.031 0.058 A 139 VAL CB C 13 30.976 0.006 A 139 VAL CGy C 13 23.070 0.006 A 139 VAL N N 15 121.654 0.006 A 140 GLU H H 1 8.291 0.013 A 140 GLU HA H 1 4.043 0.005 A 140 GLU HBy H 1 2.070 0.012 A 140 GLU HBx H 1 1.965 0.007 A 140 GLU HGy H 1 2.405 0.005 A 140 GLU HGx H 1 2.204 0.005 A 140 GLU CA C 13 59.162 0.080 A 140 GLU CB C 13 29.419 0.006 A 140 GLU CG C 13 36.854 0.094 A 140 GLU N N 15 117.078 0.006 A 141 ALA H H 1 7.495 0.004 A 141 ALA HA H 1 4.061 0.010 A 141 ALA HB% H 1 1.586 0.004 A 141 ALA CA C 13 54.729 0.006 A 141 ALA CB C 13 18.016 0.006 A 141 ALA N N 15 120.813 0.006 A 142 MET H H 1 8.259 0.011 A 142 MET HA H 1 3.938 0.004 A 142 MET HBy H 1 2.511 0.009 A 142 MET HBx H 1 1.930 0.008 A 142 MET HE% H 1 1.155 0.005 A 142 MET HGx H 1 2.259 0.004 A 142 MET HGy H 1 2.618 0.006 A 142 MET CA C 13 59.610 0.079 A 142 MET CB C 13 33.678 0.052 A 142 MET CE C 13 14.399 0.006 A 142 MET N N 15 117.301 0.006 A 143 GLU H H 1 7.832 0.010 A 143 GLU HA H 1 3.716 0.009 A 143 GLU HBy H 1 2.139 0.012 A 143 GLU HBx H 1 1.963 0.011 A 143 GLU HGx H 1 2.044 0.006 A 143 GLU HGy H 1 2.344 0.010 A 143 GLU CA C 13 59.182 0.100 A 143 GLU CB C 13 30.271 0.006 A 143 GLU CG C 13 37.791 0.073 A 143 GLU N N 15 116.052 0.006 A 144 ARG H H 1 7.034 0.004 A 144 ARG HA H 1 3.922 0.012 A 144 ARG HBy H 1 1.458 0.012 A 144 ARG HBx H 1 1.366 0.007 A 144 ARG HDx H 1 3.050 0.012 A 144 ARG HDy H 1 3.050 0.012 A 144 ARG HE H 1 7.104 0.006 A 144 ARG HGy H 1 1.596 0.016 A 144 ARG HGx H 1 1.461 0.010 A 144 ARG CA C 13 57.542 0.089 A 144 ARG CB C 13 29.303 0.001 A 144 ARG CD C 13 43.073 0.006 A 144 ARG CG C 13 27.478 0.005 A 144 ARG N N 15 114.357 0.006 A 144 ARG NE N 15 84.775 0.006 A 145 PHE H H 1 7.624 0.004 A 145 PHE HA H 1 4.793 0.006 A 145 PHE HBx H 1 2.907 0.010 A 145 PHE HBy H 1 3.536 0.008 A 145 PHE HDx H 1 7.289 0.017 A 145 PHE HDy H 1 7.289 0.017 A 145 PHE HEx H 1 7.165 0.016 A 145 PHE HEy H 1 7.165 0.016 A 145 PHE CA C 13 57.614 0.006 A 145 PHE CB C 13 38.913 0.077 A 145 PHE N N 15 115.146 0.006 A 146 GLY H H 1 7.514 0.013 A 146 GLY HAy H 1 4.615 0.011 A 146 GLY HAx H 1 3.625 0.008 A 146 GLY CA C 13 44.149 0.006 A 146 GLY N N 15 104.498 0.006 A 147 SER H H 1 8.190 0.020 A 147 SER HA H 1 4.755 0.004 A 147 SER HBy H 1 4.159 0.007 A 147 SER HBx H 1 4.047 0.011 A 147 SER CA C 13 58.033 0.006 A 147 SER N N 15 109.815 0.000 A 148 ARG H H 1 8.795 0.006 A 148 ARG HA H 1 4.167 0.008 A 148 ARG HBy H 1 1.915 0.014 A 148 ARG HBx H 1 1.877 0.003 A 148 ARG HDx H 1 3.222 0.007 A 148 ARG HDy H 1 3.222 0.007 A 148 ARG HGy H 1 1.736 0.009 A 148 ARG HGx H 1 1.701 0.012 A 148 ARG CA C 13 59.491 0.006 A 148 ARG CB C 13 29.662 0.002 A 148 ARG CD C 13 42.993 0.006 A 148 ARG CG C 13 26.917 0.006 A 148 ARG N N 15 119.789 0.006 A 149 ASN H H 1 7.841 0.006 A 149 ASN HA H 1 4.834 0.002 A 149 ASN HBy H 1 3.171 0.010 A 149 ASN HBx H 1 2.807 0.006 A 149 ASN HD2y H 1 7.528 0.006 A 149 ASN HD2x H 1 6.724 0.002 A 149 ASN CA C 13 52.120 0.006 A 149 ASN CB C 13 38.241 0.105 A 149 ASN N N 15 111.378 0.006 A 149 ASN ND2 N 15 110.005 0.006 A 150 GLY H H 1 8.040 0.006 A 150 GLY HAy H 1 4.105 0.011 A 150 GLY HAx H 1 3.936 0.010 A 150 GLY CA C 13 44.897 0.072 A 150 GLY N N 15 109.893 0.006 A 151 LYS H H 1 7.525 0.002 A 151 LYS HA H 1 4.405 0.012 A 151 LYS HBy H 1 1.877 0.003 A 151 LYS HBx H 1 1.820 0.008 A 151 LYS HDy H 1 1.778 0.004 A 151 LYS HDx H 1 1.748 0.016 A 151 LYS HEx H 1 3.054 0.004 A 151 LYS HEy H 1 3.054 0.004 A 151 LYS HGy H 1 1.531 0.009 A 151 LYS HGx H 1 1.479 0.000 A 151 LYS CA C 13 57.045 0.006 A 151 LYS CB C 13 32.269 0.006 A 151 LYS CD C 13 28.840 0.006 A 151 LYS CE C 13 41.945 0.006 A 151 LYS CG C 13 24.820 0.003 A 151 LYS N N 15 119.608 0.006 A 152 THR H H 1 8.823 0.021 A 152 THR HA H 1 5.532 0.006 A 152 THR HB H 1 4.632 0.001 A 152 THR HG1 H 1 5.012 0.006 A 152 THR HG2% H 1 1.336 0.008 A 152 THR CA C 13 59.953 0.108 A 152 THR CB C 13 71.108 0.006 A 152 THR N N 15 116.317 0.006 A 153 SER H H 1 9.412 0.006 A 153 SER HA H 1 4.456 0.006 A 153 SER HBy H 1 4.149 0.010 A 153 SER HBx H 1 4.021 0.008 A 153 SER CA C 13 58.712 0.006 A 153 SER CB C 13 63.477 0.006 A 153 SER N N 15 116.804 0.006 A 154 LYS H H 1 7.527 0.004 A 154 LYS HA H 1 4.532 0.008 A 154 LYS HBy H 1 1.415 0.008 A 154 LYS HBx H 1 0.829 0.008 A 154 LYS HDy H 1 1.435 0.005 A 154 LYS HDx H 1 1.136 0.013 A 154 LYS HEy H 1 2.988 0.016 A 154 LYS HEx H 1 2.892 0.009 A 154 LYS HGy H 1 1.427 0.007 A 154 LYS HGx H 1 1.177 0.012 A 154 LYS CA C 13 54.400 0.006 A 154 LYS CB C 13 38.406 0.095 A 154 LYS CD C 13 29.206 0.004 A 154 LYS CE C 13 42.297 0.061 A 154 LYS CG C 13 26.171 0.003 A 154 LYS N N 15 119.068 0.006 A 155 LYS H H 1 8.791 0.008 A 155 LYS HA H 1 4.313 0.005 A 155 LYS HBx H 1 1.781 0.008 A 155 LYS HBy H 1 1.873 0.006 A 155 LYS HDx H 1 1.661 0.004 A 155 LYS HDy H 1 1.661 0.004 A 155 LYS HEy H 1 2.926 0.010 A 155 LYS HEx H 1 2.902 0.006 A 155 LYS HGy H 1 1.407 0.011 A 155 LYS HGx H 1 1.308 0.008 A 155 LYS CA C 13 56.147 0.006 A 155 LYS CB C 13 31.988 0.006 A 155 LYS CD C 13 28.761 0.006 A 155 LYS CE C 13 41.535 0.006 A 155 LYS CG C 13 24.775 0.006 A 155 LYS N N 15 121.541 0.006 A 156 ILE H H 1 9.606 0.010 A 156 ILE HA H 1 5.093 0.008 A 156 ILE HB H 1 2.347 0.012 A 156 ILE HD1% H 1 0.637 0.004 A 156 ILE HG1y H 1 1.480 0.018 A 156 ILE HG1x H 1 1.441 0.009 A 156 ILE HG2% H 1 0.917 0.010 A 156 ILE CA C 13 59.264 0.096 A 156 ILE CB C 13 36.840 0.006 A 156 ILE CG1 C 13 26.714 0.006 A 156 ILE CG2 C 13 19.044 0.006 A 156 ILE N N 15 133.980 0.006 A 157 THR H H 1 9.233 0.013 A 157 THR HA H 1 5.274 0.009 A 157 THR HB H 1 3.889 0.007 A 157 THR HG2% H 1 0.995 0.004 A 157 THR CA C 13 59.475 0.044 A 157 THR CB C 13 72.475 0.006 A 157 THR CG2 C 13 22.401 0.006 A 157 THR N N 15 116.977 0.006 A 158 ILE H H 1 8.580 0.009 A 158 ILE HA H 1 4.242 0.005 A 158 ILE HB H 1 1.671 0.006 A 158 ILE HD1% H 1 -0.139 0.003 A 158 ILE HG1y H 1 1.411 0.006 A 158 ILE HG1x H 1 0.338 0.010 A 158 ILE HG2% H 1 0.312 0.007 A 158 ILE CA C 13 60.868 0.068 A 158 ILE CB C 13 36.790 0.006 A 158 ILE CG1 C 13 28.277 0.008 A 158 ILE CG2 C 13 18.295 0.006 A 158 ILE N N 15 121.529 0.006 A 159 ALA H H 1 8.873 0.003 A 159 ALA HA H 1 4.124 0.006 A 159 ALA HB% H 1 1.291 0.007 A 159 ALA CA C 13 54.073 0.082 A 159 ALA CB C 13 19.013 0.006 A 159 ALA N N 15 132.313 0.006 A 160 ASP H H 1 8.066 0.001 A 160 ASP HA H 1 4.890 0.003 A 160 ASP HBy H 1 2.961 0.005 A 160 ASP HBx H 1 2.863 0.007 A 160 ASP CA C 13 52.639 0.006 A 160 ASP CB C 13 43.587 0.061 A 160 ASP N N 15 111.257 0.006 A 161 CYS H H 1 8.591 0.006 A 161 CYS HA H 1 4.544 0.003 A 161 CYS HBy H 1 3.213 0.010 A 161 CYS HBx H 1 3.104 0.016 A 161 CYS CA C 13 55.148 0.006 A 161 CYS CB C 13 31.137 0.003 A 161 CYS N N 15 115.837 0.006 A 162 GLY H H 1 6.844 0.004 A 162 GLY HAy H 1 3.897 0.007 A 162 GLY HAx H 1 3.544 0.004 A 162 GLY CA C 13 45.349 0.095 A 162 GLY N N 15 103.888 0.006 A 163 GLN H H 1 9.066 0.001 A 163 GLN HA H 1 5.069 0.003 A 163 GLN HBy H 1 1.966 0.013 A 163 GLN HBx H 1 1.753 0.007 A 163 GLN HE2y H 1 8.145 0.009 A 163 GLN HE2x H 1 7.183 0.004 A 163 GLN HGy H 1 2.573 0.007 A 163 GLN HGx H 1 2.478 0.016 A 163 GLN CA C 13 54.809 0.006 A 163 GLN CB C 13 30.590 0.003 A 163 GLN CG C 13 33.356 0.200 A 163 GLN N N 15 120.718 0.006 A 163 GLN NE2 N 15 110.553 0.004 A 164 LEU H H 1 8.593 0.002 A 164 LEU HA H 1 4.607 0.006 A 164 LEU HBy H 1 1.623 0.008 A 164 LEU HBx H 1 1.621 0.007 A 164 LEU HDx% H 1 0.744 0.004 A 164 LEU HDy% H 1 0.838 0.006 A 164 LEU HG H 1 1.650 0.006 A 164 LEU CA C 13 54.739 0.006 A 164 LEU CB C 13 43.362 0.060 A 164 LEU CG C 13 27.093 0.006 A 164 LEU N N 15 125.816 0.006 A 165 GLU H H 1 8.132 0.010 A 165 GLU HA H 1 4.161 0.005 A 165 GLU HBy H 1 2.087 0.004 A 165 GLU HBx H 1 1.923 0.005 A 165 GLU HGx H 1 2.197 0.001 A 165 GLU HGy H 1 2.197 0.001 A 165 GLU CA C 13 57.904 0.006 A 165 GLU CB C 13 31.620 0.006 A 165 GLU CG C 13 36.770 0.006 A 165 GLU N N 15 125.923 0.006 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 VAL H A 2 VAL HA 1.0 . 8.42 2 2 A 5 THR H A 5 THR HA 1.0 . 10.01 3 3 A 8 PHE H A 8 PHE HA 1.0 . 9.22 4 4 A 9 ASP H A 9 ASP HA 1.0 . 9.27 5 5 A 11 ALA H A 11 ALA HA 1.0 . 9.39 6 6 A 13 ASP H A 13 ASP HA 1.0 . 7.08 7 7 A 15 GLU H A 15 GLU HA 1.0 . 8.40 8 8 A 19 ARG H A 19 ARG HA 1.0 . 8.42 9 9 A 20 VAL H A 20 VAL HA 1.0 . 9.68 10 10 A 22 PHE H A 22 PHE HA 1.0 . 10.02 11 11 A 24 LEU H A 24 LEU HA 1.0 . 9.38 12 12 A 25 PHE H A 25 PHE HA 1.0 . 6.34 13 13 A 26 ALA H A 26 ALA HA 1.0 . 4.97 14 14 A 27 ASP H A 27 ASP HA 1.0 . 5.86 15 15 A 31 LYS H A 31 LYS HA 1.0 . 5.67 16 16 A 32 THR H A 32 THR HA 1.0 . 5.42 17 17 A 33 ALA H A 33 ALA HA 1.0 . 4.60 18 18 A 34 GLU H A 34 GLU HA 1.0 . 4.11 19 19 A 35 ASN H A 35 ASN HA 1.0 . 4.43 20 20 A 36 PHE H A 36 PHE HA 1.0 . 4.81 21 21 A 37 ARG H A 37 ARG HA 1.0 . 3.68 22 22 A 39 LEU H A 39 LEU HA 1.0 . 5.98 23 23 A 40 SER H A 40 SER HA 1.0 . 6.43 24 24 A 41 THR H A 41 THR HA 1.0 . 7.40 25 25 A 46 PHE H A 46 PHE HA 1.0 . 6.85 26 26 A 48 TYR H A 48 TYR HA 1.0 . 4.70 27 27 A 51 SER H A 51 SER HA 1.0 . 8.03 28 28 A 55 ARG H A 55 ARG HA 1.0 . 8.83 29 29 A 57 ILE H A 57 ILE HA 1.0 . 9.56 30 30 A 60 PHE H A 60 PHE HA 1.0 . 9.95 31 31 A 61 MET H A 61 MET HA 1.0 . 4.14 32 32 A 62 CYS H A 62 CYS HA 1.0 . 9.84 33 33 A 63 GLN H A 63 GLN HA 1.0 . 8.78 34 34 A 69 ARG H A 69 ARG HA 1.0 . 9.80 35 35 A 70 HIS H A 70 HIS HA 1.0 . 2.58 36 36 A 73 THR H A 73 THR HA 1.0 . 9.90 37 37 A 77 SER H A 77 SER HA 1.0 . 9.34 38 38 A 78 ILE H A 78 ILE HA 1.0 . 5.70 39 39 A 79 TYR H A 79 TYR HA 1.0 . 9.08 40 40 A 82 LYS H A 82 LYS HA 1.0 . 8.64 41 41 A 83 PHE H A 83 PHE HA 1.0 . 8.75 42 42 A 84 GLU H A 84 GLU HA 1.0 . 4.21 43 43 A 85 ASP H A 85 ASP HA 1.0 . 5.79 44 44 A 88 PHE H A 88 PHE HA 1.0 . 9.53 45 45 A 89 ILE H A 89 ILE HA 1.0 . 4.93 46 46 A 90 LEU H A 90 LEU HA 1.0 . 7.93 47 47 A 92 HIS H A 92 HIS HA 1.0 . 6.84 48 48 A 97 ILE H A 97 ILE HA 1.0 . 5.30 49 49 A 98 LEU H A 98 LEU HA 1.0 . 9.27 50 50 A 99 SER H A 99 SER HA 1.0 . 9.45 51 51 A 102 ASN H A 102 ASN HA 1.0 . 5.75 52 52 A 107 THR H A 107 THR HA 1.0 . 9.55 53 53 A 108 ASN H A 108 ASN HA 1.0 . 5.39 54 54 A 110 SER H A 110 SER HA 1.0 . 10.35 55 55 A 111 GLN H A 111 GLN HA 1.0 . 6.31 56 56 A 113 PHE H A 113 PHE HA 1.0 . 8.85 57 57 A 115 CYS H A 115 CYS HA 1.0 . 6.16 58 58 A 116 THR H A 116 THR HA 1.0 . 9.78 59 59 A 119 THR H A 119 THR HA 1.0 . 10.27 60 60 A 120 GLU H A 120 GLU HA 1.0 . 3.67 61 61 A 121 TRP H A 121 TRP HA 1.0 . 6.17 62 62 A 122 LEU H A 122 LEU HA 1.0 . 9.18 63 63 A 125 LYS H A 125 LYS HA 1.0 . 5.58 64 64 A 128 VAL H A 128 VAL HA 1.0 . 6.69 65 65 A 132 VAL H A 132 VAL HA 1.0 . 5.15 66 66 A 137 ASN H A 137 ASN HA 1.0 . 5.09 67 67 A 138 ILE H A 138 ILE HA 1.0 . 7.32 68 68 A 139 VAL H A 139 VAL HA 1.0 . 5.92 69 69 A 141 ALA H A 141 ALA HA 1.0 . 5.35 70 70 A 143 GLU H A 143 GLU HA 1.0 . 3.92 71 71 A 144 ARG H A 144 ARG HA 1.0 . 5.27 72 72 A 145 PHE H A 145 PHE HA 1.0 . 9.40 73 73 A 152 THR H A 152 THR HA 1.0 . 8.45 74 74 A 153 SER H A 153 SER HA 1.0 . 7.32 75 75 A 156 ILE H A 156 ILE HA 1.0 . 9.10 76 76 A 157 THR H A 157 THR HA 1.0 . 9.54 77 77 A 158 ILE H A 158 ILE HA 1.0 . 8.83 78 78 A 159 ALA H A 159 ALA HA 1.0 . 6.82 79 79 A 160 ASP H A 160 ASP HA 1.0 . 5.97 80 80 A 161 CYS H A 161 CYS HA 1.0 . 5.28 81 81 A 163 GLN H A 163 GLN HA 1.0 . 8.80 82 82 A 165 GLU H A 165 GLU HA 1.0 . 7.72 83 83 A 3 ASN H A 3 ASN C 1.0 . 0.70 84 84 A 5 THR H A 5 THR C 1.0 . 1.31 85 85 A 6 VAL H A 6 VAL C 1.0 . 1.75 86 86 A 7 PHE H A 7 PHE C 1.0 . 1.85 87 87 A 9 ASP H A 9 ASP C 1.0 . 0.48 88 88 A 12 VAL H A 12 VAL C 1.0 . 0.64 89 89 A 14 GLY H A 14 GLY C 1.0 . 1.81 90 90 A 15 GLU H A 15 GLU C 1.0 . 0.53 91 91 A 17 LEU H A 17 LEU C 1.0 . 0.06 92 92 A 19 ARG H A 19 ARG C 1.0 . 0.11 93 93 A 20 VAL H A 20 VAL C 1.0 . 1.07 94 94 A 21 SER H A 21 SER C 1.0 . 1.28 95 95 A 23 GLU H A 23 GLU C 1.0 . 0.59 96 96 A 24 LEU H A 24 LEU C 1.0 . 0.02 97 97 A 25 PHE H A 25 PHE C 1.0 . 0.50 98 98 A 27 ASP H A 27 ASP C 1.0 . 0.59 99 99 A 28 LYS H A 28 LYS C 1.0 . 0.59 100 100 A 29 VAL H A 29 VAL C 1.0 . 1.02 101 101 A 31 LYS H A 31 LYS C 1.0 . 0.82 102 102 A 32 THR H A 32 THR C 1.0 . 0.06 103 103 A 33 ALA H A 33 ALA C 1.0 . 0.17 104 104 A 34 GLU H A 34 GLU C 1.0 . 1.35 105 105 A 35 ASN H A 35 ASN C 1.0 . 0.18 106 106 A 37 ARG H A 37 ARG C 1.0 . 3.56 107 107 A 43 GLU H A 43 GLU C 1.0 . 2.70 108 108 A 44 LYS H A 44 LYS C 1.0 . 1.02 109 109 A 46 PHE H A 46 PHE C 1.0 . 3.36 110 110 A 48 TYR H A 48 TYR C 1.0 . 0.75 111 111 A 49 LYS H A 49 LYS C 1.0 . 2.03 112 112 A 50 GLY H A 50 GLY C 1.0 . 0.17 113 113 A 51 SER H A 51 SER C 1.0 . 0.94 114 114 A 53 PHE H A 53 PHE C 1.0 . 0.58 115 115 A 56 ILE H A 56 ILE C 1.0 . 1.97 116 116 A 59 GLY H A 59 GLY C 1.0 . 0.52 117 117 A 60 PHE H A 60 PHE C 1.0 . 0.80 118 118 A 61 MET H A 61 MET C 1.0 . 2.74 119 119 A 62 CYS H A 62 CYS C 1.0 . 0.81 120 120 A 69 ARG H A 69 ARG C 1.0 . 1.11 121 121 A 73 THR H A 73 THR C 1.0 . 1.35 122 122 A 75 GLY H A 75 GLY C 1.0 . 1.09 123 123 A 77 SER H A 77 SER C 1.0 . 0.98 124 124 A 78 ILE H A 78 ILE C 1.0 . 3.14 125 125 A 82 LYS H A 82 LYS C 1.0 . 1.56 126 126 A 83 PHE H A 83 PHE C 1.0 . 0.58 127 127 A 84 GLU H A 84 GLU C 1.0 . 1.05 128 128 A 85 ASP H A 85 ASP C 1.0 . 0.33 129 129 A 88 PHE H A 88 PHE C 1.0 . 0.06 130 130 A 89 ILE H A 89 ILE C 1.0 . 1.10 131 131 A 90 LEU H A 90 LEU C 1.0 . 0.20 132 132 A 91 LYS H A 91 LYS C 1.0 . 0.09 133 133 A 93 THR H A 93 THR C 1.0 . 0.70 134 134 A 96 GLY H A 96 GLY C 1.0 . 0.39 135 135 A 99 SER H A 99 SER C 1.0 . 0.97 136 136 A 102 ASN H A 102 ASN C 1.0 . 1.80 137 137 A 103 ALA H A 103 ALA C 1.0 . 1.71 138 138 A 104 GLY H A 104 GLY C 1.0 . 0.29 139 139 A 106 ASN H A 106 ASN C 1.0 . 3.24 140 140 A 107 THR H A 107 THR C 1.0 . 1.64 141 141 A 108 ASN H A 108 ASN C 1.0 . 0.47 142 142 A 109 GLY H A 109 GLY C 1.0 . 0.85 143 143 A 110 SER H A 110 SER C 1.0 . 0.61 144 144 A 111 GLN H A 111 GLN C 1.0 . 0.36 145 145 A 112 PHE H A 112 PHE C 1.0 . 2.55 146 146 A 116 THR H A 116 THR C 1.0 . 1.81 147 147 A 117 ALA H A 117 ALA C 1.0 . 2.99 148 148 A 118 LYS H A 118 LYS C 1.0 . 0.08 149 149 A 119 THR H A 119 THR C 1.0 . 0.62 150 150 A 120 GLU H A 120 GLU C 1.0 . 1.53 151 151 A 121 TRP H A 121 TRP C 1.0 . 0.12 152 152 A 122 LEU H A 122 LEU C 1.0 . 0.26 153 153 A 123 ASP H A 123 ASP C 1.0 . 0.79 154 154 A 125 LYS H A 125 LYS C 1.0 . 0.20 155 155 A 127 VAL H A 127 VAL C 1.0 . 0.71 156 156 A 129 PHE H A 129 PHE C 1.0 . 0.06 157 157 A 130 GLY H A 130 GLY C 1.0 . 2.78 158 158 A 131 LYS H A 131 LYS C 1.0 . 2.13 159 159 A 132 VAL H A 132 VAL C 1.0 . 1.85 160 160 A 134 GLU H A 134 GLU C 1.0 . 1.54 161 161 A 135 GLY H A 135 GLY C 1.0 . 2.44 162 162 A 136 MET H A 136 MET C 1.0 . 1.69 163 163 A 137 ASN H A 137 ASN C 1.0 . 1.79 164 164 A 138 ILE H A 138 ILE C 1.0 . 0.41 165 165 A 139 VAL H A 139 VAL C 1.0 . 1.61 166 166 A 140 GLU H A 140 GLU C 1.0 . 1.22 167 167 A 141 ALA H A 141 ALA C 1.0 . 2.12 168 168 A 142 MET H A 142 MET C 1.0 . 0.71 169 169 A 143 GLU H A 143 GLU C 1.0 . 2.19 170 170 A 144 ARG H A 144 ARG C 1.0 . 0.11 171 171 A 145 PHE H A 145 PHE C 1.0 . 0.19 172 172 A 147 SER H A 147 SER C 1.0 . 3.20 173 173 A 149 ASN H A 149 ASN C 1.0 . 1.92 174 174 A 150 GLY H A 150 GLY C 1.0 . 0.40 175 175 A 151 LYS H A 151 LYS C 1.0 . 1.23 176 176 A 152 THR H A 152 THR C 1.0 . 0.08 177 177 A 153 SER H A 153 SER C 1.0 . 0.79 178 178 A 154 LYS H A 154 LYS C 1.0 . 2.73 179 179 A 155 LYS H A 155 LYS C 1.0 . 0.08 180 180 A 157 THR H A 157 THR C 1.0 . 0.26 181 181 A 161 CYS H A 161 CYS C 1.0 . 2.34 182 182 A 163 GLN H A 163 GLN C 1.0 . 0.40 183 183 A 165 GLU H A 165 GLU C 1.0 . 1.36 184 184 A 2 VAL H A 2 VAL CB 1.0 . 0.70 185 185 A 3 ASN H A 3 ASN CB 1.0 . 1.40 186 186 A 6 VAL H A 6 VAL CB 1.0 . 0.00 187 187 A 7 PHE H A 7 PHE CB 1.0 . 0.00 188 188 A 8 PHE H A 8 PHE CB 1.0 . 0.00 189 189 A 9 ASP H A 9 ASP CB 1.0 . 1.40 190 190 A 10 ILE H A 10 ILE CB 1.0 . 2.10 191 191 A 11 ALA H A 11 ALA CB 1.0 . 0.70 192 192 A 12 VAL H A 12 VAL CB 1.0 . 0.00 193 193 A 13 ASP H A 13 ASP CB 1.0 . 1.40 194 194 A 15 GLU H A 15 GLU CB 1.0 . 0.70 195 195 A 17 LEU H A 17 LEU CB 1.0 . 0.00 196 196 A 19 ARG H A 19 ARG CB 1.0 . 0.70 197 197 A 20 VAL H A 20 VAL CB 1.0 . 0.00 198 198 A 23 GLU H A 23 GLU CB 1.0 . 0.70 199 199 A 24 LEU H A 24 LEU CB 1.0 . 0.70 200 200 A 25 PHE H A 25 PHE CB 1.0 . 0.70 201 201 A 27 ASP H A 27 ASP CB 1.0 . 1.40 202 202 A 28 LYS H A 28 LYS CB 1.0 . 1.40 203 203 A 29 VAL H A 29 VAL CB 1.0 . 0.00 204 204 A 33 ALA H A 33 ALA CB 1.0 . 2.10 205 205 A 34 GLU H A 34 GLU CB 1.0 . 0.70 206 206 A 35 ASN H A 35 ASN CB 1.0 . 1.40 207 207 A 37 ARG H A 37 ARG CB 1.0 . 2.10 208 208 A 38 ALA H A 38 ALA CB 1.0 . 2.80 209 209 A 39 LEU H A 39 LEU CB 1.0 . 1.40 210 210 A 43 GLU H A 43 GLU CB 1.0 . 1.40 211 211 A 46 PHE H A 46 PHE CB 1.0 . 0.70 212 212 A 48 TYR H A 48 TYR CB 1.0 . 2.10 213 213 A 49 LYS H A 49 LYS CB 1.0 . 1.40 214 214 A 53 PHE H A 53 PHE CB 1.0 . 0.00 215 215 A 54 HIS H A 54 HIS CB 1.0 . 0.00 216 216 A 55 ARG H A 55 ARG CB 1.0 . 0.00 217 217 A 56 ILE H A 56 ILE CB 1.0 . 0.70 218 218 A 57 ILE H A 57 ILE CB 1.0 . 0.70 219 219 A 60 PHE H A 60 PHE CB 1.0 . 0.00 220 220 A 61 MET H A 61 MET CB 1.0 . 0.70 221 221 A 62 CYS H A 62 CYS CB 1.0 . 0.00 222 222 A 63 GLN H A 63 GLN CB 1.0 . 1.40 223 223 A 69 ARG H A 69 ARG CB 1.0 . 2.80 224 224 A 76 LYS H A 76 LYS CB 1.0 . 3.50 225 225 A 78 ILE H A 78 ILE CB 1.0 . 2.80 226 226 A 79 TYR H A 79 TYR CB 1.0 . 1.40 227 227 A 82 LYS H A 82 LYS CB 1.0 . 0.70 228 228 A 83 PHE H A 83 PHE CB 1.0 . 0.70 229 229 A 84 GLU H A 84 GLU CB 1.0 . 1.40 230 230 A 85 ASP H A 85 ASP CB 1.0 . 1.40 231 231 A 86 GLU H A 86 GLU CB 1.0 . 2.10 232 232 A 87 ASN H A 87 ASN CB 1.0 . 0.70 233 233 A 88 PHE H A 88 PHE CB 1.0 . 0.70 234 234 A 89 ILE H A 89 ILE CB 1.0 . 2.10 235 235 A 90 LEU H A 90 LEU CB 1.0 . 0.70 236 236 A 91 LYS H A 91 LYS CB 1.0 . 1.40 237 237 A 97 ILE H A 97 ILE CB 1.0 . 1.40 238 238 A 98 LEU H A 98 LEU CB 1.0 . 0.70 239 239 A 100 MET H A 100 MET CB 1.0 . 0.70 240 240 A 101 ALA H A 101 ALA CB 1.0 . 1.40 241 241 A 102 ASN H A 102 ASN CB 1.0 . 0.70 242 242 A 106 ASN H A 106 ASN CB 1.0 . 0.00 243 243 A 108 ASN H A 108 ASN CB 1.0 . 2.10 244 244 A 111 GLN H A 111 GLN CB 1.0 . 1.40 245 245 A 112 PHE H A 112 PHE CB 1.0 . 0.00 246 246 A 113 PHE H A 113 PHE CB 1.0 . 0.00 247 247 A 114 ILE H A 114 ILE CB 1.0 . 0.70 248 248 A 115 CYS H A 115 CYS CB 1.0 . 1.40 249 249 A 117 ALA H A 117 ALA CB 1.0 . 0.00 250 250 A 118 LYS H A 118 LYS CB 1.0 . 2.10 251 251 A 120 GLU H A 120 GLU CB 1.0 . 0.70 252 252 A 121 TRP H A 121 TRP CB 1.0 . 1.40 253 253 A 122 LEU H A 122 LEU CB 1.0 . 1.40 254 254 A 123 ASP H A 123 ASP CB 1.0 . 1.40 255 255 A 125 LYS H A 125 LYS CB 1.0 . 1.40 256 256 A 126 HIS H A 126 HIS CB 1.0 . 0.00 257 257 A 127 VAL H A 127 VAL CB 1.0 . 0.70 258 258 A 129 PHE H A 129 PHE CB 1.0 . 0.70 259 259 A 131 LYS H A 131 LYS CB 1.0 . 0.70 260 260 A 132 VAL H A 132 VAL CB 1.0 . 0.70 261 261 A 133 LYS H A 133 LYS CB 1.0 . 2.10 262 262 A 134 GLU H A 134 GLU CB 1.0 . 0.70 263 263 A 136 MET H A 136 MET CB 1.0 . 1.40 264 264 A 137 ASN H A 137 ASN CB 1.0 . 1.40 265 265 A 138 ILE H A 138 ILE CB 1.0 . 2.10 266 266 A 139 VAL H A 139 VAL CB 1.0 . 1.40 267 267 A 140 GLU H A 140 GLU CB 1.0 . 0.70 268 268 A 141 ALA H A 141 ALA CB 1.0 . 2.10 269 269 A 142 MET H A 142 MET CB 1.0 . 2.10 270 270 A 143 GLU H A 143 GLU CB 1.0 . 0.70 271 271 A 144 ARG H A 144 ARG CB 1.0 . 0.70 272 272 A 145 PHE H A 145 PHE CB 1.0 . 1.40 273 273 A 149 ASN H A 149 ASN CB 1.0 . 0.00 274 274 A 154 LYS H A 154 LYS CB 1.0 . 0.00 275 275 A 155 LYS H A 155 LYS CB 1.0 . 1.40 276 276 A 156 ILE H A 156 ILE CB 1.0 . 0.70 277 277 A 158 ILE H A 158 ILE CB 1.0 . 0.70 278 278 A 160 ASP H A 160 ASP CB 1.0 . 0.70 279 279 A 161 CYS H A 161 CYS CB 1.0 . 0.70 280 280 A 163 GLN H A 163 GLN CB 1.0 . 0.70 281 281 A 165 GLU H A 165 GLU CB 1.0 . 1.40 stop_ save_