data_18510 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18510 _Entry.PDB_ID 2LU6 save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 18510 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.717 -0.512 18510 2 1 1 . 1 1 2 2 ASN CA C 2 49.780 49.780 52.904 -3.124 18510 3 1 1 . 1 1 2 2 ASN CB C 2 35.900 35.900 36.609 -0.709 18510 4 1 1 . 1 1 2 2 ASN H H 2 8.461 8.461 8.878 -0.417 18510 5 1 1 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.681 -0.497 18510 6 1 1 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.046 -6.516 18510 7 1 1 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.775 12.825 18510 8 1 1 . 1 1 3 3 CYS H H 3 8.353 8.353 8.499 -0.146 18510 9 1 1 . 1 1 4 4 SER HA H 4 3.876 3.876 4.696 -0.820 18510 10 1 1 . 1 1 4 4 SER CA C 4 55.100 55.100 57.415 -2.315 18510 11 1 1 . 1 1 4 4 SER CB C 4 60.060 60.060 64.513 -4.453 18510 12 1 1 . 1 1 4 4 SER H H 4 7.829 7.829 7.776 0.053 18510 13 1 1 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.113 -0.634 18510 14 1 1 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.335 -3.935 18510 15 1 1 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.363 -3.273 18510 16 1 1 . 1 1 5 5 ARG H H 5 8.119 8.119 8.814 -0.695 18510 17 1 1 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.692 -0.578 18510 18 1 1 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.625 -1.405 18510 19 1 1 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.715 11.285 18510 20 1 1 . 1 1 6 6 TRP H H 6 7.443 7.443 8.250 -0.807 18510 21 1 1 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.577 -0.906 18510 22 1 1 . 1 1 7 7 ALA CA C 7 49.500 49.500 52.007 -2.507 18510 23 1 1 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.603 -2.303 18510 24 1 1 . 1 1 7 7 ALA H H 7 7.176 7.176 8.063 -0.887 18510 25 1 1 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.372 -0.785 18510 26 1 1 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.647 -3.347 18510 27 1 1 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.476 -3.376 18510 28 1 1 . 1 1 8 8 ARG H H 8 7.849 7.849 8.133 -0.284 18510 29 1 1 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.655 -0.652 18510 30 1 1 . 1 1 9 9 ASP CA C 9 51.010 51.010 54.496 -3.486 18510 31 1 1 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.435 -3.635 18510 32 1 1 . 1 1 9 9 ASP H H 9 7.641 7.641 8.284 -0.643 18510 33 1 1 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.430 -0.441 18510 34 1 1 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.965 -6.075 18510 35 1 1 . 1 1 10 10 HIS CB C 10 40.100 40.100 30.005 10.095 18510 36 1 1 . 1 1 10 10 HIS H H 10 7.712 7.712 8.498 -0.786 18510 37 1 1 . 1 1 11 11 SER HA H 11 3.867 3.867 4.389 -0.522 18510 38 1 1 . 1 1 11 11 SER CA C 11 55.840 55.840 58.608 -2.768 18510 39 1 1 . 1 1 11 11 SER CB C 11 60.090 60.090 62.016 -1.926 18510 40 1 1 . 1 1 11 11 SER H H 11 7.768 7.768 8.663 -0.895 18510 41 1 1 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.513 -0.844 18510 42 1 1 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.586 -1.006 18510 43 1 1 . 1 1 12 12 ARG CB C 12 26.900 26.900 28.742 -1.842 18510 44 1 1 . 1 1 12 12 ARG H H 12 8.180 8.180 8.356 -0.176 18510 45 1 1 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.449 -0.435 18510 46 1 1 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.842 -5.182 18510 47 1 1 . 1 1 13 13 CYS CB C 13 40.100 40.100 25.741 14.359 18510 48 1 1 . 1 1 13 13 CYS H H 13 7.897 7.897 8.346 -0.449 18510 49 1 2 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.950 -0.745 18510 50 1 2 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.330 -3.550 18510 51 1 2 . 1 1 2 2 ASN CB C 2 35.900 35.900 38.208 -2.308 18510 52 1 2 . 1 1 2 2 ASN H H 2 8.461 8.461 8.651 -0.190 18510 53 1 2 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.301 -0.117 18510 54 1 2 . 1 1 3 3 CYS CA C 3 51.530 51.530 59.772 -8.242 18510 55 1 2 . 1 1 3 3 CYS CB C 3 37.600 37.600 27.222 10.378 18510 56 1 2 . 1 1 3 3 CYS H H 3 8.353 8.353 7.978 0.375 18510 57 1 2 . 1 1 4 4 SER HA H 4 3.876 3.876 4.393 -0.517 18510 58 1 2 . 1 1 4 4 SER CA C 4 55.100 55.100 58.522 -3.422 18510 59 1 2 . 1 1 4 4 SER CB C 4 60.060 60.060 64.242 -4.182 18510 60 1 2 . 1 1 4 4 SER H H 4 7.829 7.829 8.537 -0.708 18510 61 1 2 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.150 -0.671 18510 62 1 2 . 1 1 5 5 ARG CA C 5 54.400 54.400 57.451 -3.051 18510 63 1 2 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.015 -2.925 18510 64 1 2 . 1 1 5 5 ARG H H 5 8.119 8.119 8.739 -0.620 18510 65 1 2 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.441 -0.327 18510 66 1 2 . 1 1 6 6 TRP CA C 6 54.220 54.220 58.105 -3.885 18510 67 1 2 . 1 1 6 6 TRP CB C 6 40.000 40.000 29.356 10.644 18510 68 1 2 . 1 1 6 6 TRP H H 6 7.443 7.443 7.722 -0.279 18510 69 1 2 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.491 -0.820 18510 70 1 2 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.570 -2.070 18510 71 1 2 . 1 1 7 7 ALA CB C 7 16.300 16.300 20.385 -4.085 18510 72 1 2 . 1 1 7 7 ALA H H 7 7.176 7.176 7.956 -0.780 18510 73 1 2 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.338 -0.751 18510 74 1 2 . 1 1 8 8 ARG CA C 8 54.300 54.300 55.762 -1.462 18510 75 1 2 . 1 1 8 8 ARG CB C 8 27.100 27.100 31.167 -4.067 18510 76 1 2 . 1 1 8 8 ARG H H 8 7.849 7.849 8.612 -0.763 18510 77 1 2 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.377 -0.374 18510 78 1 2 . 1 1 9 9 ASP CA C 9 51.010 51.010 56.626 -5.616 18510 79 1 2 . 1 1 9 9 ASP CB C 9 37.800 37.800 40.792 -2.992 18510 80 1 2 . 1 1 9 9 ASP H H 9 7.641 7.641 8.691 -1.050 18510 81 1 2 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.514 -0.525 18510 82 1 2 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.757 -5.867 18510 83 1 2 . 1 1 10 10 HIS CB C 10 40.100 40.100 29.898 10.202 18510 84 1 2 . 1 1 10 10 HIS H H 10 7.712 7.712 8.047 -0.335 18510 85 1 2 . 1 1 11 11 SER HA H 11 3.867 3.867 4.514 -0.647 18510 86 1 2 . 1 1 11 11 SER CA C 11 55.840 55.840 57.449 -1.609 18510 87 1 2 . 1 1 11 11 SER CB C 11 60.090 60.090 61.934 -1.845 18510 88 1 2 . 1 1 11 11 SER H H 11 7.768 7.768 8.079 -0.311 18510 89 1 2 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.485 -0.816 18510 90 1 2 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.664 -1.084 18510 91 1 2 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.071 -2.171 18510 92 1 2 . 1 1 12 12 ARG H H 12 8.180 8.180 8.054 0.126 18510 93 1 2 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.345 -0.331 18510 94 1 2 . 1 1 13 13 CYS CA C 13 53.660 53.660 59.538 -5.878 18510 95 1 2 . 1 1 13 13 CYS CB C 13 40.100 40.100 25.869 14.230 18510 96 1 2 . 1 1 13 13 CYS H H 13 7.897 7.897 8.312 -0.415 18510 97 1 3 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.674 -0.469 18510 98 1 3 . 1 1 2 2 ASN CA C 2 49.780 49.780 52.817 -3.037 18510 99 1 3 . 1 1 2 2 ASN CB C 2 35.900 35.900 36.982 -1.082 18510 100 1 3 . 1 1 2 2 ASN H H 2 8.461 8.461 8.806 -0.345 18510 101 1 3 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.452 -0.268 18510 102 1 3 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.595 -7.065 18510 103 1 3 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.720 12.880 18510 104 1 3 . 1 1 3 3 CYS H H 3 8.353 8.353 8.187 0.166 18510 105 1 3 . 1 1 4 4 SER HA H 4 3.876 3.876 4.649 -0.773 18510 106 1 3 . 1 1 4 4 SER CA C 4 55.100 55.100 57.660 -2.560 18510 107 1 3 . 1 1 4 4 SER CB C 4 60.060 60.060 64.923 -4.863 18510 108 1 3 . 1 1 4 4 SER H H 4 7.829 7.829 7.912 -0.083 18510 109 1 3 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.140 -0.661 18510 110 1 3 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.074 -3.674 18510 111 1 3 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.321 -3.231 18510 112 1 3 . 1 1 5 5 ARG H H 5 8.119 8.119 8.873 -0.754 18510 113 1 3 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.555 -0.441 18510 114 1 3 . 1 1 6 6 TRP CA C 6 54.220 54.220 58.170 -3.950 18510 115 1 3 . 1 1 6 6 TRP CB C 6 40.000 40.000 29.536 10.464 18510 116 1 3 . 1 1 6 6 TRP H H 6 7.443 7.443 7.919 -0.476 18510 117 1 3 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.513 -0.842 18510 118 1 3 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.586 -2.086 18510 119 1 3 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.158 -1.858 18510 120 1 3 . 1 1 7 7 ALA H H 7 7.176 7.176 8.093 -0.917 18510 121 1 3 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.423 -0.836 18510 122 1 3 . 1 1 8 8 ARG CA C 8 54.300 54.300 55.895 -1.595 18510 123 1 3 . 1 1 8 8 ARG CB C 8 27.100 27.100 31.148 -4.048 18510 124 1 3 . 1 1 8 8 ARG H H 8 7.849 7.849 7.975 -0.126 18510 125 1 3 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.558 -0.555 18510 126 1 3 . 1 1 9 9 ASP CA C 9 51.010 51.010 52.913 -1.903 18510 127 1 3 . 1 1 9 9 ASP CB C 9 37.800 37.800 42.657 -4.857 18510 128 1 3 . 1 1 9 9 ASP H H 9 7.641 7.641 8.370 -0.729 18510 129 1 3 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.506 -0.517 18510 130 1 3 . 1 1 10 10 HIS CA C 10 50.890 50.890 57.239 -6.349 18510 131 1 3 . 1 1 10 10 HIS CB C 10 40.100 40.100 30.231 9.869 18510 132 1 3 . 1 1 10 10 HIS H H 10 7.712 7.712 8.305 -0.593 18510 133 1 3 . 1 1 11 11 SER HA H 11 3.867 3.867 4.517 -0.650 18510 134 1 3 . 1 1 11 11 SER CA C 11 55.840 55.840 58.138 -2.298 18510 135 1 3 . 1 1 11 11 SER CB C 11 60.090 60.090 62.757 -2.667 18510 136 1 3 . 1 1 11 11 SER H H 11 7.768 7.768 8.253 -0.485 18510 137 1 3 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.528 -0.859 18510 138 1 3 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.561 -0.981 18510 139 1 3 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.121 -2.221 18510 140 1 3 . 1 1 12 12 ARG H H 12 8.180 8.180 8.492 -0.312 18510 141 1 3 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.655 -0.641 18510 142 1 3 . 1 1 13 13 CYS CA C 13 53.660 53.660 57.425 -3.765 18510 143 1 3 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.594 15.506 18510 144 1 3 . 1 1 13 13 CYS H H 13 7.897 7.897 8.525 -0.628 18510 145 1 4 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.742 -0.537 18510 146 1 4 . 1 1 2 2 ASN CA C 2 49.780 49.780 52.919 -3.139 18510 147 1 4 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.113 -1.213 18510 148 1 4 . 1 1 2 2 ASN H H 2 8.461 8.461 8.815 -0.354 18510 149 1 4 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.425 -0.241 18510 150 1 4 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.398 -6.868 18510 151 1 4 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.609 12.991 18510 152 1 4 . 1 1 3 3 CYS H H 3 8.353 8.353 7.906 0.447 18510 153 1 4 . 1 1 4 4 SER HA H 4 3.876 3.876 4.607 -0.731 18510 154 1 4 . 1 1 4 4 SER CA C 4 55.100 55.100 57.952 -2.852 18510 155 1 4 . 1 1 4 4 SER CB C 4 60.060 60.060 64.514 -4.455 18510 156 1 4 . 1 1 4 4 SER H H 4 7.829 7.829 8.109 -0.280 18510 157 1 4 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.028 -0.549 18510 158 1 4 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.216 -3.816 18510 159 1 4 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.186 -3.095 18510 160 1 4 . 1 1 5 5 ARG H H 5 8.119 8.119 8.773 -0.654 18510 161 1 4 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.683 -0.569 18510 162 1 4 . 1 1 6 6 TRP CA C 6 54.220 54.220 57.708 -3.488 18510 163 1 4 . 1 1 6 6 TRP CB C 6 40.000 40.000 29.599 10.401 18510 164 1 4 . 1 1 6 6 TRP H H 6 7.443 7.443 7.707 -0.264 18510 165 1 4 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.773 -1.102 18510 166 1 4 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.292 -1.792 18510 167 1 4 . 1 1 7 7 ALA CB C 7 16.300 16.300 17.324 -1.024 18510 168 1 4 . 1 1 7 7 ALA H H 7 7.176 7.176 8.192 -1.016 18510 169 1 4 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.292 -0.705 18510 170 1 4 . 1 1 8 8 ARG CA C 8 54.300 54.300 55.675 -1.375 18510 171 1 4 . 1 1 8 8 ARG CB C 8 27.100 27.100 31.430 -4.330 18510 172 1 4 . 1 1 8 8 ARG H H 8 7.849 7.849 7.628 0.221 18510 173 1 4 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.607 -0.604 18510 174 1 4 . 1 1 9 9 ASP CA C 9 51.010 51.010 53.728 -2.718 18510 175 1 4 . 1 1 9 9 ASP CB C 9 37.800 37.800 40.624 -2.824 18510 176 1 4 . 1 1 9 9 ASP H H 9 7.641 7.641 8.941 -1.300 18510 177 1 4 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.721 -0.732 18510 178 1 4 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.197 -5.307 18510 179 1 4 . 1 1 10 10 HIS CB C 10 40.100 40.100 29.870 10.230 18510 180 1 4 . 1 1 10 10 HIS H H 10 7.712 7.712 7.838 -0.126 18510 181 1 4 . 1 1 11 11 SER HA H 11 3.867 3.867 4.404 -0.537 18510 182 1 4 . 1 1 11 11 SER CA C 11 55.840 55.840 58.867 -3.027 18510 183 1 4 . 1 1 11 11 SER CB C 11 60.090 60.090 63.176 -3.086 18510 184 1 4 . 1 1 11 11 SER H H 11 7.768 7.768 8.153 -0.385 18510 185 1 4 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.529 -0.860 18510 186 1 4 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.740 -1.160 18510 187 1 4 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.101 -2.201 18510 188 1 4 . 1 1 12 12 ARG H H 12 8.180 8.180 8.730 -0.550 18510 189 1 4 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.720 -0.706 18510 190 1 4 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.625 -4.965 18510 191 1 4 . 1 1 13 13 CYS CB C 13 40.100 40.100 26.132 13.968 18510 192 1 4 . 1 1 13 13 CYS H H 13 7.897 7.897 8.705 -0.808 18510 193 1 5 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.833 -0.628 18510 194 1 5 . 1 1 2 2 ASN CA C 2 49.780 49.780 52.711 -2.931 18510 195 1 5 . 1 1 2 2 ASN CB C 2 35.900 35.900 36.670 -0.770 18510 196 1 5 . 1 1 2 2 ASN H H 2 8.461 8.461 8.814 -0.353 18510 197 1 5 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.463 -0.279 18510 198 1 5 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.033 -6.503 18510 199 1 5 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.634 12.966 18510 200 1 5 . 1 1 3 3 CYS H H 3 8.353 8.353 7.945 0.408 18510 201 1 5 . 1 1 4 4 SER HA H 4 3.876 3.876 4.671 -0.795 18510 202 1 5 . 1 1 4 4 SER CA C 4 55.100 55.100 57.258 -2.158 18510 203 1 5 . 1 1 4 4 SER CB C 4 60.060 60.060 64.874 -4.814 18510 204 1 5 . 1 1 4 4 SER H H 4 7.829 7.829 7.819 0.010 18510 205 1 5 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.114 -0.635 18510 206 1 5 . 1 1 5 5 ARG CA C 5 54.400 54.400 57.956 -3.556 18510 207 1 5 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.213 -3.123 18510 208 1 5 . 1 1 5 5 ARG H H 5 8.119 8.119 8.902 -0.783 18510 209 1 5 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.682 -0.568 18510 210 1 5 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.933 -1.713 18510 211 1 5 . 1 1 6 6 TRP CB C 6 40.000 40.000 29.034 10.966 18510 212 1 5 . 1 1 6 6 TRP H H 6 7.443 7.443 8.037 -0.594 18510 213 1 5 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.650 -0.979 18510 214 1 5 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.912 -2.412 18510 215 1 5 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.722 -2.422 18510 216 1 5 . 1 1 7 7 ALA H H 7 7.176 7.176 7.430 -0.254 18510 217 1 5 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.337 -0.750 18510 218 1 5 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.167 -2.868 18510 219 1 5 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.851 -3.751 18510 220 1 5 . 1 1 8 8 ARG H H 8 7.849 7.849 8.305 -0.456 18510 221 1 5 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.668 -0.665 18510 222 1 5 . 1 1 9 9 ASP CA C 9 51.010 51.010 54.550 -3.540 18510 223 1 5 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.832 -4.032 18510 224 1 5 . 1 1 9 9 ASP H H 9 7.641 7.641 8.294 -0.653 18510 225 1 5 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.504 -0.515 18510 226 1 5 . 1 1 10 10 HIS CA C 10 50.890 50.890 57.245 -6.356 18510 227 1 5 . 1 1 10 10 HIS CB C 10 40.100 40.100 30.095 10.005 18510 228 1 5 . 1 1 10 10 HIS H H 10 7.712 7.712 8.541 -0.829 18510 229 1 5 . 1 1 11 11 SER HA H 11 3.867 3.867 4.253 -0.386 18510 230 1 5 . 1 1 11 11 SER CA C 11 55.840 55.840 59.164 -3.324 18510 231 1 5 . 1 1 11 11 SER CB C 11 60.090 60.090 61.505 -1.415 18510 232 1 5 . 1 1 11 11 SER H H 11 7.768 7.768 8.651 -0.883 18510 233 1 5 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.665 -0.996 18510 234 1 5 . 1 1 12 12 ARG CA C 12 54.580 54.580 54.946 -0.366 18510 235 1 5 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.232 -2.332 18510 236 1 5 . 1 1 12 12 ARG H H 12 8.180 8.180 8.155 0.025 18510 237 1 5 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.504 -0.490 18510 238 1 5 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.757 -5.097 18510 239 1 5 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.595 15.505 18510 240 1 5 . 1 1 13 13 CYS H H 13 7.897 7.897 7.776 0.121 18510 241 1 6 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.824 -0.619 18510 242 1 6 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.445 -3.665 18510 243 1 6 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.009 -1.109 18510 244 1 6 . 1 1 2 2 ASN H H 2 8.461 8.461 8.826 -0.365 18510 245 1 6 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.673 -0.489 18510 246 1 6 . 1 1 3 3 CYS CA C 3 51.530 51.530 57.741 -6.211 18510 247 1 6 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.790 12.810 18510 248 1 6 . 1 1 3 3 CYS H H 3 8.353 8.353 8.148 0.205 18510 249 1 6 . 1 1 4 4 SER HA H 4 3.876 3.876 4.722 -0.846 18510 250 1 6 . 1 1 4 4 SER CA C 4 55.100 55.100 57.415 -2.315 18510 251 1 6 . 1 1 4 4 SER CB C 4 60.060 60.060 64.639 -4.579 18510 252 1 6 . 1 1 4 4 SER H H 4 7.829 7.829 7.829 0.000 18510 253 1 6 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.028 -0.549 18510 254 1 6 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.812 -4.412 18510 255 1 6 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.214 -3.124 18510 256 1 6 . 1 1 5 5 ARG H H 5 8.119 8.119 8.801 -0.682 18510 257 1 6 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.585 -0.471 18510 258 1 6 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.955 -1.735 18510 259 1 6 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.051 11.949 18510 260 1 6 . 1 1 6 6 TRP H H 6 7.443 7.443 8.214 -0.771 18510 261 1 6 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.597 -0.926 18510 262 1 6 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.846 -2.345 18510 263 1 6 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.882 -2.582 18510 264 1 6 . 1 1 7 7 ALA H H 7 7.176 7.176 7.585 -0.409 18510 265 1 6 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.399 -0.812 18510 266 1 6 . 1 1 8 8 ARG CA C 8 54.300 54.300 56.985 -2.685 18510 267 1 6 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.745 -3.645 18510 268 1 6 . 1 1 8 8 ARG H H 8 7.849 7.849 8.351 -0.502 18510 269 1 6 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.616 -0.613 18510 270 1 6 . 1 1 9 9 ASP CA C 9 51.010 51.010 54.429 -3.419 18510 271 1 6 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.742 -3.942 18510 272 1 6 . 1 1 9 9 ASP H H 9 7.641 7.641 8.293 -0.652 18510 273 1 6 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.400 -0.411 18510 274 1 6 . 1 1 10 10 HIS CA C 10 50.890 50.890 57.017 -6.127 18510 275 1 6 . 1 1 10 10 HIS CB C 10 40.100 40.100 30.070 10.030 18510 276 1 6 . 1 1 10 10 HIS H H 10 7.712 7.712 8.440 -0.728 18510 277 1 6 . 1 1 11 11 SER HA H 11 3.867 3.867 4.443 -0.576 18510 278 1 6 . 1 1 11 11 SER CA C 11 55.840 55.840 58.222 -2.382 18510 279 1 6 . 1 1 11 11 SER CB C 11 60.090 60.090 61.458 -1.368 18510 280 1 6 . 1 1 11 11 SER H H 11 7.768 7.768 8.497 -0.729 18510 281 1 6 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.546 -0.877 18510 282 1 6 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.409 -0.829 18510 283 1 6 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.055 -2.155 18510 284 1 6 . 1 1 12 12 ARG H H 12 8.180 8.180 8.066 0.114 18510 285 1 6 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.653 -0.639 18510 286 1 6 . 1 1 13 13 CYS CA C 13 53.660 53.660 57.392 -3.732 18510 287 1 6 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.334 15.767 18510 288 1 6 . 1 1 13 13 CYS H H 13 7.897 7.897 7.938 -0.041 18510 289 1 7 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.807 -0.602 18510 290 1 7 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.089 -3.309 18510 291 1 7 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.461 -1.561 18510 292 1 7 . 1 1 2 2 ASN H H 2 8.461 8.461 8.811 -0.350 18510 293 1 7 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.509 -0.325 18510 294 1 7 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.168 -6.638 18510 295 1 7 . 1 1 3 3 CYS CB C 3 37.600 37.600 25.224 12.376 18510 296 1 7 . 1 1 3 3 CYS H H 3 8.353 8.353 8.124 0.229 18510 297 1 7 . 1 1 4 4 SER HA H 4 3.876 3.876 4.659 -0.783 18510 298 1 7 . 1 1 4 4 SER CA C 4 55.100 55.100 58.175 -3.075 18510 299 1 7 . 1 1 4 4 SER CB C 4 60.060 60.060 63.660 -3.600 18510 300 1 7 . 1 1 4 4 SER H H 4 7.829 7.829 8.232 -0.403 18510 301 1 7 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.099 -0.620 18510 302 1 7 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.418 -4.018 18510 303 1 7 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.254 -3.164 18510 304 1 7 . 1 1 5 5 ARG H H 5 8.119 8.119 8.899 -0.780 18510 305 1 7 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.382 -0.268 18510 306 1 7 . 1 1 6 6 TRP CA C 6 54.220 54.220 58.417 -4.197 18510 307 1 7 . 1 1 6 6 TRP CB C 6 40.000 40.000 29.372 10.628 18510 308 1 7 . 1 1 6 6 TRP H H 6 7.443 7.443 8.245 -0.802 18510 309 1 7 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.361 -0.690 18510 310 1 7 . 1 1 7 7 ALA CA C 7 49.500 49.500 52.355 -2.855 18510 311 1 7 . 1 1 7 7 ALA CB C 7 16.300 16.300 19.064 -2.764 18510 312 1 7 . 1 1 7 7 ALA H H 7 7.176 7.176 7.518 -0.342 18510 313 1 7 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.394 -0.807 18510 314 1 7 . 1 1 8 8 ARG CA C 8 54.300 54.300 55.328 -1.028 18510 315 1 7 . 1 1 8 8 ARG CB C 8 27.100 27.100 31.072 -3.972 18510 316 1 7 . 1 1 8 8 ARG H H 8 7.849 7.849 8.394 -0.545 18510 317 1 7 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.428 -0.425 18510 318 1 7 . 1 1 9 9 ASP CA C 9 51.010 51.010 55.253 -4.243 18510 319 1 7 . 1 1 9 9 ASP CB C 9 37.800 37.800 40.759 -2.959 18510 320 1 7 . 1 1 9 9 ASP H H 9 7.641 7.641 8.210 -0.569 18510 321 1 7 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.382 -0.393 18510 322 1 7 . 1 1 10 10 HIS CA C 10 50.890 50.890 55.769 -4.879 18510 323 1 7 . 1 1 10 10 HIS CB C 10 40.100 40.100 28.857 11.243 18510 324 1 7 . 1 1 10 10 HIS H H 10 7.712 7.712 7.681 0.031 18510 325 1 7 . 1 1 11 11 SER HA H 11 3.867 3.867 4.214 -0.347 18510 326 1 7 . 1 1 11 11 SER CA C 11 55.840 55.840 59.587 -3.747 18510 327 1 7 . 1 1 11 11 SER CB C 11 60.090 60.090 63.311 -3.221 18510 328 1 7 . 1 1 11 11 SER H H 11 7.768 7.768 8.555 -0.787 18510 329 1 7 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.521 -0.852 18510 330 1 7 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.282 -0.702 18510 331 1 7 . 1 1 12 12 ARG CB C 12 26.900 26.900 30.928 -4.028 18510 332 1 7 . 1 1 12 12 ARG H H 12 8.180 8.180 8.373 -0.193 18510 333 1 7 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.524 -0.510 18510 334 1 7 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.206 -4.546 18510 335 1 7 . 1 1 13 13 CYS CB C 13 40.100 40.100 23.953 16.147 18510 336 1 7 . 1 1 13 13 CYS H H 13 7.897 7.897 8.255 -0.358 18510 337 1 8 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.775 -0.570 18510 338 1 8 . 1 1 2 2 ASN CA C 2 49.780 49.780 52.727 -2.947 18510 339 1 8 . 1 1 2 2 ASN CB C 2 35.900 35.900 36.558 -0.658 18510 340 1 8 . 1 1 2 2 ASN H H 2 8.461 8.461 8.967 -0.506 18510 341 1 8 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.556 -0.372 18510 342 1 8 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.126 -6.596 18510 343 1 8 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.634 12.966 18510 344 1 8 . 1 1 3 3 CYS H H 3 8.353 8.353 7.924 0.429 18510 345 1 8 . 1 1 4 4 SER HA H 4 3.876 3.876 4.715 -0.839 18510 346 1 8 . 1 1 4 4 SER CA C 4 55.100 55.100 57.486 -2.386 18510 347 1 8 . 1 1 4 4 SER CB C 4 60.060 60.060 64.169 -4.109 18510 348 1 8 . 1 1 4 4 SER H H 4 7.829 7.829 8.069 -0.240 18510 349 1 8 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.060 -0.581 18510 350 1 8 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.429 -4.029 18510 351 1 8 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.328 -3.238 18510 352 1 8 . 1 1 5 5 ARG H H 5 8.119 8.119 8.762 -0.643 18510 353 1 8 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.668 -0.554 18510 354 1 8 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.678 -1.458 18510 355 1 8 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.608 11.392 18510 356 1 8 . 1 1 6 6 TRP H H 6 7.443 7.443 8.041 -0.598 18510 357 1 8 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.631 -0.960 18510 358 1 8 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.988 -2.488 18510 359 1 8 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.040 -1.740 18510 360 1 8 . 1 1 7 7 ALA H H 7 7.176 7.176 7.884 -0.708 18510 361 1 8 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.381 -0.794 18510 362 1 8 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.025 -2.725 18510 363 1 8 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.783 -3.683 18510 364 1 8 . 1 1 8 8 ARG H H 8 7.849 7.849 8.009 -0.160 18510 365 1 8 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.454 -0.451 18510 366 1 8 . 1 1 9 9 ASP CA C 9 51.010 51.010 53.826 -2.816 18510 367 1 8 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.276 -3.476 18510 368 1 8 . 1 1 9 9 ASP H H 9 7.641 7.641 8.242 -0.601 18510 369 1 8 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.571 -0.582 18510 370 1 8 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.250 -5.360 18510 371 1 8 . 1 1 10 10 HIS CB C 10 40.100 40.100 30.142 9.958 18510 372 1 8 . 1 1 10 10 HIS H H 10 7.712 7.712 8.215 -0.503 18510 373 1 8 . 1 1 11 11 SER HA H 11 3.867 3.867 4.535 -0.668 18510 374 1 8 . 1 1 11 11 SER CA C 11 55.840 55.840 57.957 -2.117 18510 375 1 8 . 1 1 11 11 SER CB C 11 60.090 60.090 61.854 -1.764 18510 376 1 8 . 1 1 11 11 SER H H 11 7.768 7.768 8.239 -0.471 18510 377 1 8 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.524 -0.855 18510 378 1 8 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.349 -0.769 18510 379 1 8 . 1 1 12 12 ARG CB C 12 26.900 26.900 28.762 -1.862 18510 380 1 8 . 1 1 12 12 ARG H H 12 8.180 8.180 7.986 0.194 18510 381 1 8 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.599 -0.585 18510 382 1 8 . 1 1 13 13 CYS CA C 13 53.660 53.660 57.937 -4.277 18510 383 1 8 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.266 15.834 18510 384 1 8 . 1 1 13 13 CYS H H 13 7.897 7.897 8.048 -0.151 18510 385 1 9 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.771 -0.566 18510 386 1 9 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.066 -3.286 18510 387 1 9 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.449 -1.549 18510 388 1 9 . 1 1 2 2 ASN H H 2 8.461 8.461 8.810 -0.349 18510 389 1 9 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.474 -0.290 18510 390 1 9 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.083 -6.553 18510 391 1 9 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.885 12.715 18510 392 1 9 . 1 1 3 3 CYS H H 3 8.353 8.353 8.025 0.328 18510 393 1 9 . 1 1 4 4 SER HA H 4 3.876 3.876 4.542 -0.666 18510 394 1 9 . 1 1 4 4 SER CA C 4 55.100 55.100 58.290 -3.190 18510 395 1 9 . 1 1 4 4 SER CB C 4 60.060 60.060 64.144 -4.084 18510 396 1 9 . 1 1 4 4 SER H H 4 7.829 7.829 8.064 -0.235 18510 397 1 9 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.102 -0.623 18510 398 1 9 . 1 1 5 5 ARG CA C 5 54.400 54.400 57.969 -3.569 18510 399 1 9 . 1 1 5 5 ARG CB C 5 27.090 27.090 29.934 -2.844 18510 400 1 9 . 1 1 5 5 ARG H H 5 8.119 8.119 8.770 -0.651 18510 401 1 9 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.348 -0.234 18510 402 1 9 . 1 1 6 6 TRP CA C 6 54.220 54.220 58.307 -4.087 18510 403 1 9 . 1 1 6 6 TRP CB C 6 40.000 40.000 29.247 10.753 18510 404 1 9 . 1 1 6 6 TRP H H 6 7.443 7.443 7.989 -0.546 18510 405 1 9 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.450 -0.779 18510 406 1 9 . 1 1 7 7 ALA CA C 7 49.500 49.500 52.197 -2.696 18510 407 1 9 . 1 1 7 7 ALA CB C 7 16.300 16.300 17.874 -1.574 18510 408 1 9 . 1 1 7 7 ALA H H 7 7.176 7.176 8.057 -0.881 18510 409 1 9 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.244 -0.657 18510 410 1 9 . 1 1 8 8 ARG CA C 8 54.300 54.300 56.913 -2.614 18510 411 1 9 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.630 -3.530 18510 412 1 9 . 1 1 8 8 ARG H H 8 7.849 7.849 7.909 -0.060 18510 413 1 9 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.614 -0.611 18510 414 1 9 . 1 1 9 9 ASP CA C 9 51.010 51.010 53.380 -2.370 18510 415 1 9 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.459 -3.659 18510 416 1 9 . 1 1 9 9 ASP H H 9 7.641 7.641 8.046 -0.405 18510 417 1 9 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.604 -0.615 18510 418 1 9 . 1 1 10 10 HIS CA C 10 50.890 50.890 55.860 -4.970 18510 419 1 9 . 1 1 10 10 HIS CB C 10 40.100 40.100 29.070 11.030 18510 420 1 9 . 1 1 10 10 HIS H H 10 7.712 7.712 8.613 -0.901 18510 421 1 9 . 1 1 11 11 SER HA H 11 3.867 3.867 4.408 -0.541 18510 422 1 9 . 1 1 11 11 SER CA C 11 55.840 55.840 59.675 -3.835 18510 423 1 9 . 1 1 11 11 SER CB C 11 60.090 60.090 63.844 -3.754 18510 424 1 9 . 1 1 11 11 SER H H 11 7.768 7.768 8.310 -0.542 18510 425 1 9 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.430 -0.761 18510 426 1 9 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.501 -0.921 18510 427 1 9 . 1 1 12 12 ARG CB C 12 26.900 26.900 31.423 -4.523 18510 428 1 9 . 1 1 12 12 ARG H H 12 8.180 8.180 8.090 0.090 18510 429 1 9 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.576 -0.562 18510 430 1 9 . 1 1 13 13 CYS CA C 13 53.660 53.660 57.964 -4.304 18510 431 1 9 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.137 15.963 18510 432 1 9 . 1 1 13 13 CYS H H 13 7.897 7.897 8.839 -0.942 18510 433 1 10 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.790 -0.585 18510 434 1 10 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.207 -3.427 18510 435 1 10 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.530 -1.630 18510 436 1 10 . 1 1 2 2 ASN H H 2 8.461 8.461 8.840 -0.379 18510 437 1 10 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.671 -0.487 18510 438 1 10 . 1 1 3 3 CYS CA C 3 51.530 51.530 57.506 -5.976 18510 439 1 10 . 1 1 3 3 CYS CB C 3 37.600 37.600 25.169 12.431 18510 440 1 10 . 1 1 3 3 CYS H H 3 8.353 8.353 8.059 0.294 18510 441 1 10 . 1 1 4 4 SER HA H 4 3.876 3.876 4.673 -0.797 18510 442 1 10 . 1 1 4 4 SER CA C 4 55.100 55.100 57.684 -2.584 18510 443 1 10 . 1 1 4 4 SER CB C 4 60.060 60.060 64.359 -4.299 18510 444 1 10 . 1 1 4 4 SER H H 4 7.829 7.829 8.175 -0.346 18510 445 1 10 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.074 -0.595 18510 446 1 10 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.367 -3.967 18510 447 1 10 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.266 -3.176 18510 448 1 10 . 1 1 5 5 ARG H H 5 8.119 8.119 8.841 -0.722 18510 449 1 10 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.593 -0.479 18510 450 1 10 . 1 1 6 6 TRP CA C 6 54.220 54.220 56.141 -1.921 18510 451 1 10 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.081 11.919 18510 452 1 10 . 1 1 6 6 TRP H H 6 7.443 7.443 8.253 -0.810 18510 453 1 10 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.664 -0.993 18510 454 1 10 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.436 -1.936 18510 455 1 10 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.344 -2.044 18510 456 1 10 . 1 1 7 7 ALA H H 7 7.176 7.176 7.808 -0.632 18510 457 1 10 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.203 -0.616 18510 458 1 10 . 1 1 8 8 ARG CA C 8 54.300 54.300 58.176 -3.876 18510 459 1 10 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.514 -3.414 18510 460 1 10 . 1 1 8 8 ARG H H 8 7.849 7.849 7.869 -0.020 18510 461 1 10 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.553 -0.550 18510 462 1 10 . 1 1 9 9 ASP CA C 9 51.010 51.010 54.782 -3.772 18510 463 1 10 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.319 -3.519 18510 464 1 10 . 1 1 9 9 ASP H H 9 7.641 7.641 8.324 -0.683 18510 465 1 10 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.704 -0.715 18510 466 1 10 . 1 1 10 10 HIS CA C 10 50.890 50.890 55.017 -4.127 18510 467 1 10 . 1 1 10 10 HIS CB C 10 40.100 40.100 27.377 12.723 18510 468 1 10 . 1 1 10 10 HIS H H 10 7.712 7.712 8.570 -0.858 18510 469 1 10 . 1 1 11 11 SER HA H 11 3.867 3.867 4.543 -0.676 18510 470 1 10 . 1 1 11 11 SER CA C 11 55.840 55.840 58.851 -3.011 18510 471 1 10 . 1 1 11 11 SER CB C 11 60.090 60.090 64.647 -4.557 18510 472 1 10 . 1 1 11 11 SER H H 11 7.768 7.768 8.129 -0.361 18510 473 1 10 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.577 -0.908 18510 474 1 10 . 1 1 12 12 ARG CA C 12 54.580 54.580 54.962 -0.382 18510 475 1 10 . 1 1 12 12 ARG CB C 12 26.900 26.900 31.106 -4.206 18510 476 1 10 . 1 1 12 12 ARG H H 12 8.180 8.180 7.947 0.233 18510 477 1 10 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.654 -0.640 18510 478 1 10 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.252 -4.592 18510 479 1 10 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.051 16.049 18510 480 1 10 . 1 1 13 13 CYS H H 13 7.897 7.897 8.881 -0.984 18510 481 1 11 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.753 -0.548 18510 482 1 11 . 1 1 2 2 ASN CA C 2 49.780 49.780 52.813 -3.033 18510 483 1 11 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.156 -1.256 18510 484 1 11 . 1 1 2 2 ASN H H 2 8.461 8.461 8.904 -0.443 18510 485 1 11 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.563 -0.379 18510 486 1 11 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.346 -6.816 18510 487 1 11 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.504 13.096 18510 488 1 11 . 1 1 3 3 CYS H H 3 8.353 8.353 8.074 0.279 18510 489 1 11 . 1 1 4 4 SER HA H 4 3.876 3.876 4.824 -0.948 18510 490 1 11 . 1 1 4 4 SER CA C 4 55.100 55.100 57.095 -1.995 18510 491 1 11 . 1 1 4 4 SER CB C 4 60.060 60.060 64.517 -4.457 18510 492 1 11 . 1 1 4 4 SER H H 4 7.829 7.829 7.908 -0.079 18510 493 1 11 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.304 -0.825 18510 494 1 11 . 1 1 5 5 ARG CA C 5 54.400 54.400 57.602 -3.202 18510 495 1 11 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.210 -3.120 18510 496 1 11 . 1 1 5 5 ARG H H 5 8.119 8.119 8.797 -0.678 18510 497 1 11 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.399 -0.285 18510 498 1 11 . 1 1 6 6 TRP CA C 6 54.220 54.220 57.797 -3.577 18510 499 1 11 . 1 1 6 6 TRP CB C 6 40.000 40.000 29.543 10.457 18510 500 1 11 . 1 1 6 6 TRP H H 6 7.443 7.443 8.012 -0.569 18510 501 1 11 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.263 -0.592 18510 502 1 11 . 1 1 7 7 ALA CA C 7 49.500 49.500 52.050 -2.550 18510 503 1 11 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.252 -1.952 18510 504 1 11 . 1 1 7 7 ALA H H 7 7.176 7.176 7.986 -0.810 18510 505 1 11 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.090 -0.503 18510 506 1 11 . 1 1 8 8 ARG CA C 8 54.300 54.300 58.504 -4.204 18510 507 1 11 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.805 -3.705 18510 508 1 11 . 1 1 8 8 ARG H H 8 7.849 7.849 8.286 -0.437 18510 509 1 11 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.468 -0.465 18510 510 1 11 . 1 1 9 9 ASP CA C 9 51.010 51.010 56.682 -5.672 18510 511 1 11 . 1 1 9 9 ASP CB C 9 37.800 37.800 40.767 -2.967 18510 512 1 11 . 1 1 9 9 ASP H H 9 7.641 7.641 8.594 -0.953 18510 513 1 11 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.526 -0.537 18510 514 1 11 . 1 1 10 10 HIS CA C 10 50.890 50.890 55.303 -4.413 18510 515 1 11 . 1 1 10 10 HIS CB C 10 40.100 40.100 28.238 11.862 18510 516 1 11 . 1 1 10 10 HIS H H 10 7.712 7.712 8.060 -0.348 18510 517 1 11 . 1 1 11 11 SER HA H 11 3.867 3.867 4.118 -0.251 18510 518 1 11 . 1 1 11 11 SER CA C 11 55.840 55.840 58.559 -2.719 18510 519 1 11 . 1 1 11 11 SER CB C 11 60.090 60.090 62.634 -2.544 18510 520 1 11 . 1 1 11 11 SER H H 11 7.768 7.768 8.208 -0.440 18510 521 1 11 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.410 -0.741 18510 522 1 11 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.372 -0.792 18510 523 1 11 . 1 1 12 12 ARG CB C 12 26.900 26.900 31.078 -4.178 18510 524 1 11 . 1 1 12 12 ARG H H 12 8.180 8.180 8.083 0.097 18510 525 1 11 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.738 -0.724 18510 526 1 11 . 1 1 13 13 CYS CA C 13 53.660 53.660 57.456 -3.796 18510 527 1 11 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.635 15.465 18510 528 1 11 . 1 1 13 13 CYS H H 13 7.897 7.897 8.348 -0.451 18510 529 1 12 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.780 -0.575 18510 530 1 12 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.073 -3.293 18510 531 1 12 . 1 1 2 2 ASN CB C 2 35.900 35.900 36.813 -0.913 18510 532 1 12 . 1 1 2 2 ASN H H 2 8.461 8.461 8.826 -0.365 18510 533 1 12 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.577 -0.393 18510 534 1 12 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.058 -6.528 18510 535 1 12 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.725 12.875 18510 536 1 12 . 1 1 3 3 CYS H H 3 8.353 8.353 8.183 0.170 18510 537 1 12 . 1 1 4 4 SER HA H 4 3.876 3.876 4.582 -0.706 18510 538 1 12 . 1 1 4 4 SER CA C 4 55.100 55.100 57.584 -2.484 18510 539 1 12 . 1 1 4 4 SER CB C 4 60.060 60.060 64.591 -4.530 18510 540 1 12 . 1 1 4 4 SER H H 4 7.829 7.829 7.766 0.063 18510 541 1 12 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.110 -0.631 18510 542 1 12 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.026 -3.626 18510 543 1 12 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.354 -3.264 18510 544 1 12 . 1 1 5 5 ARG H H 5 8.119 8.119 8.719 -0.600 18510 545 1 12 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.632 -0.518 18510 546 1 12 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.926 -1.706 18510 547 1 12 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.434 11.566 18510 548 1 12 . 1 1 6 6 TRP H H 6 7.443 7.443 8.140 -0.697 18510 549 1 12 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.587 -0.916 18510 550 1 12 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.943 -2.443 18510 551 1 12 . 1 1 7 7 ALA CB C 7 16.300 16.300 19.415 -3.115 18510 552 1 12 . 1 1 7 7 ALA H H 7 7.176 7.176 7.591 -0.415 18510 553 1 12 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.375 -0.788 18510 554 1 12 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.379 -3.079 18510 555 1 12 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.528 -3.428 18510 556 1 12 . 1 1 8 8 ARG H H 8 7.849 7.849 8.593 -0.744 18510 557 1 12 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.758 -0.755 18510 558 1 12 . 1 1 9 9 ASP CA C 9 51.010 51.010 53.400 -2.390 18510 559 1 12 . 1 1 9 9 ASP CB C 9 37.800 37.800 42.158 -4.358 18510 560 1 12 . 1 1 9 9 ASP H H 9 7.641 7.641 8.165 -0.524 18510 561 1 12 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.672 -0.683 18510 562 1 12 . 1 1 10 10 HIS CA C 10 50.890 50.890 55.710 -4.820 18510 563 1 12 . 1 1 10 10 HIS CB C 10 40.100 40.100 29.782 10.318 18510 564 1 12 . 1 1 10 10 HIS H H 10 7.712 7.712 8.820 -1.108 18510 565 1 12 . 1 1 11 11 SER HA H 11 3.867 3.867 4.182 -0.315 18510 566 1 12 . 1 1 11 11 SER CA C 11 55.840 55.840 59.333 -3.493 18510 567 1 12 . 1 1 11 11 SER CB C 11 60.090 60.090 63.193 -3.103 18510 568 1 12 . 1 1 11 11 SER H H 11 7.768 7.768 8.577 -0.809 18510 569 1 12 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.290 -0.621 18510 570 1 12 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.407 -0.827 18510 571 1 12 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.778 -2.878 18510 572 1 12 . 1 1 12 12 ARG H H 12 8.180 8.180 7.512 0.668 18510 573 1 12 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.666 -0.652 18510 574 1 12 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.190 -4.530 18510 575 1 12 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.516 15.584 18510 576 1 12 . 1 1 13 13 CYS H H 13 7.897 7.897 8.284 -0.387 18510 577 1 13 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.793 -0.588 18510 578 1 13 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.050 -3.270 18510 579 1 13 . 1 1 2 2 ASN CB C 2 35.900 35.900 36.991 -1.091 18510 580 1 13 . 1 1 2 2 ASN H H 2 8.461 8.461 8.934 -0.473 18510 581 1 13 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.691 -0.507 18510 582 1 13 . 1 1 3 3 CYS CA C 3 51.530 51.530 57.698 -6.168 18510 583 1 13 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.993 12.607 18510 584 1 13 . 1 1 3 3 CYS H H 3 8.353 8.353 8.291 0.062 18510 585 1 13 . 1 1 4 4 SER HA H 4 3.876 3.876 4.763 -0.887 18510 586 1 13 . 1 1 4 4 SER CA C 4 55.100 55.100 57.308 -2.208 18510 587 1 13 . 1 1 4 4 SER CB C 4 60.060 60.060 65.088 -5.028 18510 588 1 13 . 1 1 4 4 SER H H 4 7.829 7.829 7.701 0.128 18510 589 1 13 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.131 -0.652 18510 590 1 13 . 1 1 5 5 ARG CA C 5 54.400 54.400 57.828 -3.428 18510 591 1 13 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.243 -3.153 18510 592 1 13 . 1 1 5 5 ARG H H 5 8.119 8.119 8.821 -0.702 18510 593 1 13 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.614 -0.500 18510 594 1 13 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.921 -1.701 18510 595 1 13 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.204 11.796 18510 596 1 13 . 1 1 6 6 TRP H H 6 7.443 7.443 8.170 -0.727 18510 597 1 13 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.566 -0.895 18510 598 1 13 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.985 -2.485 18510 599 1 13 . 1 1 7 7 ALA CB C 7 16.300 16.300 19.090 -2.790 18510 600 1 13 . 1 1 7 7 ALA H H 7 7.176 7.176 7.515 -0.339 18510 601 1 13 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.446 -0.859 18510 602 1 13 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.761 -3.461 18510 603 1 13 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.511 -3.410 18510 604 1 13 . 1 1 8 8 ARG H H 8 7.849 7.849 8.474 -0.625 18510 605 1 13 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.643 -0.640 18510 606 1 13 . 1 1 9 9 ASP CA C 9 51.010 51.010 53.901 -2.891 18510 607 1 13 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.661 -3.861 18510 608 1 13 . 1 1 9 9 ASP H H 9 7.641 7.641 8.081 -0.440 18510 609 1 13 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.489 -0.500 18510 610 1 13 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.869 -5.979 18510 611 1 13 . 1 1 10 10 HIS CB C 10 40.100 40.100 30.239 9.861 18510 612 1 13 . 1 1 10 10 HIS H H 10 7.712 7.712 8.674 -0.962 18510 613 1 13 . 1 1 11 11 SER HA H 11 3.867 3.867 4.343 -0.476 18510 614 1 13 . 1 1 11 11 SER CA C 11 55.840 55.840 58.863 -3.023 18510 615 1 13 . 1 1 11 11 SER CB C 11 60.090 60.090 62.324 -2.234 18510 616 1 13 . 1 1 11 11 SER H H 11 7.768 7.768 8.410 -0.642 18510 617 1 13 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.499 -0.830 18510 618 1 13 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.786 -1.206 18510 619 1 13 . 1 1 12 12 ARG CB C 12 26.900 26.900 28.975 -2.075 18510 620 1 13 . 1 1 12 12 ARG H H 12 8.180 8.180 8.072 0.108 18510 621 1 13 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.475 -0.461 18510 622 1 13 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.727 -5.067 18510 623 1 13 . 1 1 13 13 CYS CB C 13 40.100 40.100 25.936 14.164 18510 624 1 13 . 1 1 13 13 CYS H H 13 7.897 7.897 8.953 -1.056 18510 625 1 14 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.726 -0.521 18510 626 1 14 . 1 1 2 2 ASN CA C 2 49.780 49.780 52.870 -3.090 18510 627 1 14 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.188 -1.288 18510 628 1 14 . 1 1 2 2 ASN H H 2 8.461 8.461 8.925 -0.464 18510 629 1 14 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.600 -0.416 18510 630 1 14 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.629 -7.099 18510 631 1 14 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.601 12.999 18510 632 1 14 . 1 1 3 3 CYS H H 3 8.353 8.353 8.296 0.057 18510 633 1 14 . 1 1 4 4 SER HA H 4 3.876 3.876 4.767 -0.891 18510 634 1 14 . 1 1 4 4 SER CA C 4 55.100 55.100 57.207 -2.107 18510 635 1 14 . 1 1 4 4 SER CB C 4 60.060 60.060 64.504 -4.444 18510 636 1 14 . 1 1 4 4 SER H H 4 7.829 7.829 7.810 0.019 18510 637 1 14 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.140 -0.661 18510 638 1 14 . 1 1 5 5 ARG CA C 5 54.400 54.400 57.852 -3.453 18510 639 1 14 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.183 -3.093 18510 640 1 14 . 1 1 5 5 ARG H H 5 8.119 8.119 8.720 -0.601 18510 641 1 14 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.619 -0.505 18510 642 1 14 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.865 -1.645 18510 643 1 14 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.451 11.549 18510 644 1 14 . 1 1 6 6 TRP H H 6 7.443 7.443 8.103 -0.660 18510 645 1 14 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.570 -0.899 18510 646 1 14 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.739 -2.239 18510 647 1 14 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.852 -2.552 18510 648 1 14 . 1 1 7 7 ALA H H 7 7.176 7.176 7.678 -0.502 18510 649 1 14 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.346 -0.759 18510 650 1 14 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.369 -3.069 18510 651 1 14 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.786 -3.686 18510 652 1 14 . 1 1 8 8 ARG H H 8 7.849 7.849 8.401 -0.552 18510 653 1 14 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.675 -0.672 18510 654 1 14 . 1 1 9 9 ASP CA C 9 51.010 51.010 54.585 -3.575 18510 655 1 14 . 1 1 9 9 ASP CB C 9 37.800 37.800 42.166 -4.365 18510 656 1 14 . 1 1 9 9 ASP H H 9 7.641 7.641 8.310 -0.669 18510 657 1 14 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.394 -0.405 18510 658 1 14 . 1 1 10 10 HIS CA C 10 50.890 50.890 57.388 -6.497 18510 659 1 14 . 1 1 10 10 HIS CB C 10 40.100 40.100 30.015 10.085 18510 660 1 14 . 1 1 10 10 HIS H H 10 7.712 7.712 8.392 -0.680 18510 661 1 14 . 1 1 11 11 SER HA H 11 3.867 3.867 4.460 -0.593 18510 662 1 14 . 1 1 11 11 SER CA C 11 55.840 55.840 58.125 -2.285 18510 663 1 14 . 1 1 11 11 SER CB C 11 60.090 60.090 62.043 -1.953 18510 664 1 14 . 1 1 11 11 SER H H 11 7.768 7.768 7.697 0.071 18510 665 1 14 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.396 -0.727 18510 666 1 14 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.605 -1.025 18510 667 1 14 . 1 1 12 12 ARG CB C 12 26.900 26.900 31.124 -4.224 18510 668 1 14 . 1 1 12 12 ARG H H 12 8.180 8.180 7.799 0.381 18510 669 1 14 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.631 -0.617 18510 670 1 14 . 1 1 13 13 CYS CA C 13 53.660 53.660 59.016 -5.356 18510 671 1 14 . 1 1 13 13 CYS CB C 13 40.100 40.100 25.926 14.174 18510 672 1 14 . 1 1 13 13 CYS H H 13 7.897 7.897 8.968 -1.071 18510 673 1 15 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.859 -0.654 18510 674 1 15 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.109 -3.329 18510 675 1 15 . 1 1 2 2 ASN CB C 2 35.900 35.900 36.884 -0.984 18510 676 1 15 . 1 1 2 2 ASN H H 2 8.461 8.461 8.793 -0.332 18510 677 1 15 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.524 -0.340 18510 678 1 15 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.357 -6.827 18510 679 1 15 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.797 12.803 18510 680 1 15 . 1 1 3 3 CYS H H 3 8.353 8.353 7.967 0.386 18510 681 1 15 . 1 1 4 4 SER HA H 4 3.876 3.876 4.757 -0.881 18510 682 1 15 . 1 1 4 4 SER CA C 4 55.100 55.100 57.852 -2.752 18510 683 1 15 . 1 1 4 4 SER CB C 4 60.060 60.060 64.629 -4.569 18510 684 1 15 . 1 1 4 4 SER H H 4 7.829 7.829 8.153 -0.324 18510 685 1 15 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.126 -0.647 18510 686 1 15 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.314 -3.914 18510 687 1 15 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.394 -3.304 18510 688 1 15 . 1 1 5 5 ARG H H 5 8.119 8.119 8.733 -0.614 18510 689 1 15 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.547 -0.433 18510 690 1 15 . 1 1 6 6 TRP CA C 6 54.220 54.220 56.237 -2.017 18510 691 1 15 . 1 1 6 6 TRP CB C 6 40.000 40.000 27.999 12.001 18510 692 1 15 . 1 1 6 6 TRP H H 6 7.443 7.443 8.155 -0.712 18510 693 1 15 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.452 -0.781 18510 694 1 15 . 1 1 7 7 ALA CA C 7 49.500 49.500 52.222 -2.722 18510 695 1 15 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.676 -2.376 18510 696 1 15 . 1 1 7 7 ALA H H 7 7.176 7.176 7.788 -0.612 18510 697 1 15 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.494 -0.907 18510 698 1 15 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.475 -3.175 18510 699 1 15 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.916 -3.816 18510 700 1 15 . 1 1 8 8 ARG H H 8 7.849 7.849 8.470 -0.621 18510 701 1 15 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.821 -0.818 18510 702 1 15 . 1 1 9 9 ASP CA C 9 51.010 51.010 54.050 -3.040 18510 703 1 15 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.961 -4.161 18510 704 1 15 . 1 1 9 9 ASP H H 9 7.641 7.641 8.380 -0.739 18510 705 1 15 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.462 -0.473 18510 706 1 15 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.907 -6.017 18510 707 1 15 . 1 1 10 10 HIS CB C 10 40.100 40.100 29.841 10.259 18510 708 1 15 . 1 1 10 10 HIS H H 10 7.712 7.712 8.619 -0.907 18510 709 1 15 . 1 1 11 11 SER HA H 11 3.867 3.867 4.321 -0.454 18510 710 1 15 . 1 1 11 11 SER CA C 11 55.840 55.840 58.845 -3.005 18510 711 1 15 . 1 1 11 11 SER CB C 11 60.090 60.090 61.543 -1.453 18510 712 1 15 . 1 1 11 11 SER H H 11 7.768 7.768 8.546 -0.778 18510 713 1 15 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.493 -0.824 18510 714 1 15 . 1 1 12 12 ARG CA C 12 54.580 54.580 56.004 -1.424 18510 715 1 15 . 1 1 12 12 ARG CB C 12 26.900 26.900 30.825 -3.925 18510 716 1 15 . 1 1 12 12 ARG H H 12 8.180 8.180 7.966 0.214 18510 717 1 15 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.723 -0.709 18510 718 1 15 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.659 -4.999 18510 719 1 15 . 1 1 13 13 CYS CB C 13 40.100 40.100 25.953 14.147 18510 720 1 15 . 1 1 13 13 CYS H H 13 7.897 7.897 8.801 -0.904 18510 721 1 16 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.794 -0.589 18510 722 1 16 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.516 -3.736 18510 723 1 16 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.454 -1.554 18510 724 1 16 . 1 1 2 2 ASN H H 2 8.461 8.461 8.821 -0.360 18510 725 1 16 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.527 -0.343 18510 726 1 16 . 1 1 3 3 CYS CA C 3 51.530 51.530 57.196 -5.665 18510 727 1 16 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.631 12.969 18510 728 1 16 . 1 1 3 3 CYS H H 3 8.353 8.353 7.699 0.654 18510 729 1 16 . 1 1 4 4 SER HA H 4 3.876 3.876 4.659 -0.783 18510 730 1 16 . 1 1 4 4 SER CA C 4 55.100 55.100 57.306 -2.206 18510 731 1 16 . 1 1 4 4 SER CB C 4 60.060 60.060 64.909 -4.849 18510 732 1 16 . 1 1 4 4 SER H H 4 7.829 7.829 7.496 0.333 18510 733 1 16 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.086 -0.607 18510 734 1 16 . 1 1 5 5 ARG CA C 5 54.400 54.400 57.614 -3.214 18510 735 1 16 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.142 -3.052 18510 736 1 16 . 1 1 5 5 ARG H H 5 8.119 8.119 8.683 -0.564 18510 737 1 16 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.677 -0.563 18510 738 1 16 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.818 -1.598 18510 739 1 16 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.587 11.414 18510 740 1 16 . 1 1 6 6 TRP H H 6 7.443 7.443 8.076 -0.633 18510 741 1 16 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.674 -1.003 18510 742 1 16 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.782 -2.282 18510 743 1 16 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.968 -2.668 18510 744 1 16 . 1 1 7 7 ALA H H 7 7.176 7.176 8.052 -0.876 18510 745 1 16 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.439 -0.852 18510 746 1 16 . 1 1 8 8 ARG CA C 8 54.300 54.300 56.588 -2.288 18510 747 1 16 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.660 -3.560 18510 748 1 16 . 1 1 8 8 ARG H H 8 7.849 7.849 8.592 -0.743 18510 749 1 16 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.407 -0.404 18510 750 1 16 . 1 1 9 9 ASP CA C 9 51.010 51.010 52.986 -1.976 18510 751 1 16 . 1 1 9 9 ASP CB C 9 37.800 37.800 42.105 -4.305 18510 752 1 16 . 1 1 9 9 ASP H H 9 7.641 7.641 8.280 -0.639 18510 753 1 16 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.519 -0.530 18510 754 1 16 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.714 -5.824 18510 755 1 16 . 1 1 10 10 HIS CB C 10 40.100 40.100 29.951 10.149 18510 756 1 16 . 1 1 10 10 HIS H H 10 7.712 7.712 8.177 -0.465 18510 757 1 16 . 1 1 11 11 SER HA H 11 3.867 3.867 4.422 -0.555 18510 758 1 16 . 1 1 11 11 SER CA C 11 55.840 55.840 57.833 -1.993 18510 759 1 16 . 1 1 11 11 SER CB C 11 60.090 60.090 61.712 -1.622 18510 760 1 16 . 1 1 11 11 SER H H 11 7.768 7.768 8.373 -0.605 18510 761 1 16 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.842 -1.173 18510 762 1 16 . 1 1 12 12 ARG CA C 12 54.580 54.580 54.732 -0.152 18510 763 1 16 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.849 -2.949 18510 764 1 16 . 1 1 12 12 ARG H H 12 8.180 8.180 7.973 0.207 18510 765 1 16 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.543 -0.529 18510 766 1 16 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.875 -5.215 18510 767 1 16 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.307 15.793 18510 768 1 16 . 1 1 13 13 CYS H H 13 7.897 7.897 7.998 -0.101 18510 769 1 17 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.758 -0.553 18510 770 1 17 . 1 1 2 2 ASN CA C 2 49.780 49.780 52.894 -3.114 18510 771 1 17 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.187 -1.287 18510 772 1 17 . 1 1 2 2 ASN H H 2 8.461 8.461 8.900 -0.439 18510 773 1 17 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.583 -0.399 18510 774 1 17 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.536 -7.006 18510 775 1 17 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.555 13.045 18510 776 1 17 . 1 1 3 3 CYS H H 3 8.353 8.353 8.073 0.280 18510 777 1 17 . 1 1 4 4 SER HA H 4 3.876 3.876 4.778 -0.902 18510 778 1 17 . 1 1 4 4 SER CA C 4 55.100 55.100 57.378 -2.278 18510 779 1 17 . 1 1 4 4 SER CB C 4 60.060 60.060 64.249 -4.189 18510 780 1 17 . 1 1 4 4 SER H H 4 7.829 7.829 8.000 -0.171 18510 781 1 17 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.147 -0.668 18510 782 1 17 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.147 -3.747 18510 783 1 17 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.287 -3.197 18510 784 1 17 . 1 1 5 5 ARG H H 5 8.119 8.119 8.530 -0.411 18510 785 1 17 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.680 -0.566 18510 786 1 17 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.827 -1.607 18510 787 1 17 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.765 11.235 18510 788 1 17 . 1 1 6 6 TRP H H 6 7.443 7.443 8.183 -0.740 18510 789 1 17 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.750 -1.079 18510 790 1 17 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.663 -2.163 18510 791 1 17 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.443 -2.143 18510 792 1 17 . 1 1 7 7 ALA H H 7 7.176 7.176 7.994 -0.818 18510 793 1 17 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.542 -0.955 18510 794 1 17 . 1 1 8 8 ARG CA C 8 54.300 54.300 56.560 -2.260 18510 795 1 17 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.644 -3.544 18510 796 1 17 . 1 1 8 8 ARG H H 8 7.849 7.849 8.020 -0.171 18510 797 1 17 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.522 -0.519 18510 798 1 17 . 1 1 9 9 ASP CA C 9 51.010 51.010 54.387 -3.377 18510 799 1 17 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.901 -4.101 18510 800 1 17 . 1 1 9 9 ASP H H 9 7.641 7.641 8.507 -0.866 18510 801 1 17 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.539 -0.550 18510 802 1 17 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.634 -5.744 18510 803 1 17 . 1 1 10 10 HIS CB C 10 40.100 40.100 30.090 10.010 18510 804 1 17 . 1 1 10 10 HIS H H 10 7.712 7.712 8.428 -0.716 18510 805 1 17 . 1 1 11 11 SER HA H 11 3.867 3.867 4.471 -0.604 18510 806 1 17 . 1 1 11 11 SER CA C 11 55.840 55.840 58.101 -2.261 18510 807 1 17 . 1 1 11 11 SER CB C 11 60.090 60.090 61.956 -1.866 18510 808 1 17 . 1 1 11 11 SER H H 11 7.768 7.768 8.798 -1.030 18510 809 1 17 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.461 -0.792 18510 810 1 17 . 1 1 12 12 ARG CA C 12 54.580 54.580 56.092 -1.512 18510 811 1 17 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.135 -2.235 18510 812 1 17 . 1 1 12 12 ARG H H 12 8.180 8.180 7.844 0.336 18510 813 1 17 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.691 -0.677 18510 814 1 17 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.073 -4.413 18510 815 1 17 . 1 1 13 13 CYS CB C 13 40.100 40.100 25.782 14.319 18510 816 1 17 . 1 1 13 13 CYS H H 13 7.897 7.897 8.275 -0.378 18510 817 1 18 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.874 -0.669 18510 818 1 18 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.333 -3.553 18510 819 1 18 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.795 -1.895 18510 820 1 18 . 1 1 2 2 ASN H H 2 8.461 8.461 8.407 0.054 18510 821 1 18 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.458 -0.274 18510 822 1 18 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.143 -6.613 18510 823 1 18 . 1 1 3 3 CYS CB C 3 37.600 37.600 25.410 12.190 18510 824 1 18 . 1 1 3 3 CYS H H 3 8.353 8.353 7.946 0.407 18510 825 1 18 . 1 1 4 4 SER HA H 4 3.876 3.876 4.612 -0.736 18510 826 1 18 . 1 1 4 4 SER CA C 4 55.100 55.100 57.583 -2.483 18510 827 1 18 . 1 1 4 4 SER CB C 4 60.060 60.060 64.268 -4.208 18510 828 1 18 . 1 1 4 4 SER H H 4 7.829 7.829 7.628 0.201 18510 829 1 18 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.180 -0.701 18510 830 1 18 . 1 1 5 5 ARG CA C 5 54.400 54.400 57.990 -3.590 18510 831 1 18 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.140 -3.050 18510 832 1 18 . 1 1 5 5 ARG H H 5 8.119 8.119 8.670 -0.551 18510 833 1 18 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.567 -0.453 18510 834 1 18 . 1 1 6 6 TRP CA C 6 54.220 54.220 56.138 -1.918 18510 835 1 18 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.410 11.590 18510 836 1 18 . 1 1 6 6 TRP H H 6 7.443 7.443 8.155 -0.712 18510 837 1 18 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.690 -1.019 18510 838 1 18 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.581 -2.081 18510 839 1 18 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.598 -2.297 18510 840 1 18 . 1 1 7 7 ALA H H 7 7.176 7.176 7.747 -0.571 18510 841 1 18 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.307 -0.720 18510 842 1 18 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.813 -3.513 18510 843 1 18 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.766 -3.666 18510 844 1 18 . 1 1 8 8 ARG H H 8 7.849 7.849 8.445 -0.596 18510 845 1 18 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.593 -0.590 18510 846 1 18 . 1 1 9 9 ASP CA C 9 51.010 51.010 52.847 -1.837 18510 847 1 18 . 1 1 9 9 ASP CB C 9 37.800 37.800 42.703 -4.903 18510 848 1 18 . 1 1 9 9 ASP H H 9 7.641 7.641 8.216 -0.575 18510 849 1 18 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.472 -0.483 18510 850 1 18 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.638 -5.748 18510 851 1 18 . 1 1 10 10 HIS CB C 10 40.100 40.100 29.840 10.260 18510 852 1 18 . 1 1 10 10 HIS H H 10 7.712 7.712 8.450 -0.738 18510 853 1 18 . 1 1 11 11 SER HA H 11 3.867 3.867 4.497 -0.630 18510 854 1 18 . 1 1 11 11 SER CA C 11 55.840 55.840 58.244 -2.404 18510 855 1 18 . 1 1 11 11 SER CB C 11 60.090 60.090 62.062 -1.972 18510 856 1 18 . 1 1 11 11 SER H H 11 7.768 7.768 8.270 -0.502 18510 857 1 18 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.460 -0.791 18510 858 1 18 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.622 -1.042 18510 859 1 18 . 1 1 12 12 ARG CB C 12 26.900 26.900 31.174 -4.274 18510 860 1 18 . 1 1 12 12 ARG H H 12 8.180 8.180 7.845 0.335 18510 861 1 18 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.622 -0.608 18510 862 1 18 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.598 -4.938 18510 863 1 18 . 1 1 13 13 CYS CB C 13 40.100 40.100 26.630 13.470 18510 864 1 18 . 1 1 13 13 CYS H H 13 7.897 7.897 8.675 -0.778 18510 865 1 19 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.789 -0.584 18510 866 1 19 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.364 -3.584 18510 867 1 19 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.185 -1.285 18510 868 1 19 . 1 1 2 2 ASN H H 2 8.461 8.461 8.871 -0.410 18510 869 1 19 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.535 -0.351 18510 870 1 19 . 1 1 3 3 CYS CA C 3 51.530 51.530 57.906 -6.376 18510 871 1 19 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.537 13.063 18510 872 1 19 . 1 1 3 3 CYS H H 3 8.353 8.353 8.065 0.288 18510 873 1 19 . 1 1 4 4 SER HA H 4 3.876 3.876 4.619 -0.743 18510 874 1 19 . 1 1 4 4 SER CA C 4 55.100 55.100 57.743 -2.643 18510 875 1 19 . 1 1 4 4 SER CB C 4 60.060 60.060 64.132 -4.072 18510 876 1 19 . 1 1 4 4 SER H H 4 7.829 7.829 8.025 -0.196 18510 877 1 19 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.130 -0.651 18510 878 1 19 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.322 -3.922 18510 879 1 19 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.392 -3.302 18510 880 1 19 . 1 1 5 5 ARG H H 5 8.119 8.119 8.684 -0.565 18510 881 1 19 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.597 -0.483 18510 882 1 19 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.927 -1.707 18510 883 1 19 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.317 11.683 18510 884 1 19 . 1 1 6 6 TRP H H 6 7.443 7.443 8.254 -0.811 18510 885 1 19 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.505 -0.834 18510 886 1 19 . 1 1 7 7 ALA CA C 7 49.500 49.500 52.159 -2.659 18510 887 1 19 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.441 -2.141 18510 888 1 19 . 1 1 7 7 ALA H H 7 7.176 7.176 7.712 -0.536 18510 889 1 19 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.628 -1.041 18510 890 1 19 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.026 -2.726 18510 891 1 19 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.932 -3.832 18510 892 1 19 . 1 1 8 8 ARG H H 8 7.849 7.849 7.982 -0.133 18510 893 1 19 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.683 -0.680 18510 894 1 19 . 1 1 9 9 ASP CA C 9 51.010 51.010 54.105 -3.095 18510 895 1 19 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.901 -4.101 18510 896 1 19 . 1 1 9 9 ASP H H 9 7.641 7.641 8.186 -0.545 18510 897 1 19 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.447 -0.458 18510 898 1 19 . 1 1 10 10 HIS CA C 10 50.890 50.890 57.206 -6.316 18510 899 1 19 . 1 1 10 10 HIS CB C 10 40.100 40.100 30.112 9.988 18510 900 1 19 . 1 1 10 10 HIS H H 10 7.712 7.712 8.450 -0.738 18510 901 1 19 . 1 1 11 11 SER HA H 11 3.867 3.867 4.440 -0.573 18510 902 1 19 . 1 1 11 11 SER CA C 11 55.840 55.840 58.783 -2.943 18510 903 1 19 . 1 1 11 11 SER CB C 11 60.090 60.090 62.070 -1.980 18510 904 1 19 . 1 1 11 11 SER H H 11 7.768 7.768 8.496 -0.728 18510 905 1 19 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.615 -0.946 18510 906 1 19 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.364 -0.784 18510 907 1 19 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.278 -2.378 18510 908 1 19 . 1 1 12 12 ARG H H 12 8.180 8.180 8.048 0.132 18510 909 1 19 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.572 -0.558 18510 910 1 19 . 1 1 13 13 CYS CA C 13 53.660 53.660 57.850 -4.190 18510 911 1 19 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.475 15.625 18510 912 1 19 . 1 1 13 13 CYS H H 13 7.897 7.897 8.446 -0.549 18510 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 0 0.000 0.000 0.000 18510 2 1 1 "Average Difference" HA 12 0.655 0.636 0.166 18510 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18510 4 1 1 "Average Difference" CA 12 3.842 3.472 1.717 18510 5 1 1 "Average Difference" CB 12 7.461 -2.254 7.429 18510 6 1 1 "Average Difference" HN 12 0.596 0.511 0.321 18510 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18510 8 1 2 "Average Difference" HA 12 0.594 0.553 0.227 18510 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18510 10 1 2 "Average Difference" CA 12 4.353 3.811 2.196 18510 11 1 2 "Average Difference" CB 12 7.125 -1.740 7.217 18510 12 1 2 "Average Difference" HN 12 0.565 0.413 0.403 18510 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18510 14 1 3 "Average Difference" HA 12 0.650 0.626 0.184 18510 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18510 16 1 3 "Average Difference" CA 12 3.720 3.272 1.848 18510 17 1 3 "Average Difference" CB 12 7.659 -1.991 7.725 18510 18 1 3 "Average Difference" HN 12 0.533 0.440 0.315 18510 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18510 20 1 4 "Average Difference" HA 12 0.686 0.656 0.209 18510 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18510 22 1 4 "Average Difference" CA 12 3.738 3.376 1.678 18510 23 1 4 "Average Difference" CB 12 7.358 -2.113 7.362 18510 24 1 4 "Average Difference" HN 12 0.632 0.422 0.491 18510 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18510 26 1 5 "Average Difference" HA 12 0.673 0.641 0.217 18510 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18510 28 1 5 "Average Difference" CA 12 3.822 3.402 1.818 18510 29 1 5 "Average Difference" CB 12 7.671 -2.232 7.665 18510 30 1 5 "Average Difference" HN 12 0.535 0.353 0.420 18510 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18510 32 1 6 "Average Difference" HA 12 0.673 0.652 0.172 18510 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18510 34 1 6 "Average Difference" CA 12 3.675 3.321 1.643 18510 35 1 6 "Average Difference" CB 12 7.800 -2.338 7.772 18510 36 1 6 "Average Difference" HN 12 0.513 0.380 0.360 18510 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18510 38 1 7 "Average Difference" HA 12 0.585 0.552 0.203 18510 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18510 40 1 7 "Average Difference" CA 12 3.921 3.603 1.614 18510 41 1 7 "Average Difference" CB 12 7.839 -2.094 7.890 18510 42 1 7 "Average Difference" HN 12 0.509 0.406 0.321 18510 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18510 44 1 8 "Average Difference" HA 12 0.672 0.651 0.176 18510 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18510 46 1 8 "Average Difference" CA 12 3.534 3.164 1.645 18510 47 1 8 "Average Difference" CB 12 7.696 -2.468 7.614 18510 48 1 8 "Average Difference" HN 12 0.474 0.330 0.355 18510 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18510 50 1 9 "Average Difference" HA 12 0.596 0.575 0.164 18510 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18510 52 1 9 "Average Difference" CA 12 3.784 3.533 1.417 18510 53 1 9 "Average Difference" CB 12 7.873 -2.079 7.931 18510 54 1 9 "Average Difference" HN 12 0.574 0.425 0.403 18510 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18510 56 1 10 "Average Difference" HA 12 0.687 0.670 0.160 18510 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18510 58 1 10 "Average Difference" CA 12 3.581 3.298 1.458 18510 59 1 10 "Average Difference" CB 12 8.236 -2.190 8.292 18510 60 1 10 "Average Difference" HN 12 0.597 0.439 0.423 18510 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18510 62 1 11 "Average Difference" HA 12 0.602 0.567 0.213 18510 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18510 64 1 11 "Average Difference" CA 12 3.883 3.564 1.610 18510 65 1 11 "Average Difference" CB 12 7.864 -2.225 7.878 18510 66 1 11 "Average Difference" HN 12 0.528 0.403 0.357 18510 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18510 68 1 12 "Average Difference" HA 12 0.649 0.629 0.166 18510 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18510 70 1 12 "Average Difference" CA 12 3.576 3.268 1.517 18510 71 1 12 "Average Difference" CB 12 7.849 -2.063 7.909 18510 72 1 12 "Average Difference" HN 12 0.612 0.396 0.487 18510 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18510 74 1 13 "Average Difference" HA 12 0.670 0.650 0.173 18510 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18510 76 1 13 "Average Difference" CA 12 3.728 3.407 1.580 18510 77 1 13 "Average Difference" CB 12 7.505 -2.065 7.536 18510 78 1 13 "Average Difference" HN 12 0.607 0.472 0.399 18510 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18510 80 1 14 "Average Difference" HA 12 0.658 0.639 0.164 18510 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18510 82 1 14 "Average Difference" CA 12 3.909 3.453 1.914 18510 83 1 14 "Average Difference" CB 12 7.620 -1.933 7.698 18510 84 1 14 "Average Difference" HN 12 0.561 0.389 0.422 18510 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18510 86 1 15 "Average Difference" HA 12 0.686 0.660 0.193 18510 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18510 88 1 15 "Average Difference" CA 12 3.912 3.602 1.595 18510 89 1 15 "Average Difference" CB 12 7.644 -2.052 7.691 18510 90 1 15 "Average Difference" HN 12 0.635 0.495 0.416 18510 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18510 92 1 16 "Average Difference" HA 12 0.701 0.661 0.245 18510 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18510 94 1 16 "Average Difference" CA 12 3.455 3.012 1.767 18510 95 1 16 "Average Difference" CB 12 7.830 -2.147 7.865 18510 96 1 16 "Average Difference" HN 12 0.559 0.316 0.482 18510 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18510 98 1 17 "Average Difference" HA 12 0.716 0.689 0.203 18510 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18510 100 1 17 "Average Difference" CA 12 3.670 3.290 1.699 18510 101 1 17 "Average Difference" CB 12 7.492 -2.170 7.489 18510 102 1 17 "Average Difference" HN 12 0.598 0.427 0.438 18510 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18510 104 1 18 "Average Difference" HA 12 0.664 0.639 0.187 18510 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18510 106 1 18 "Average Difference" CA 12 3.690 3.310 1.704 18510 107 1 18 "Average Difference" CB 12 7.445 -1.770 7.553 18510 108 1 18 "Average Difference" HN 12 0.544 0.336 0.447 18510 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18510 110 1 19 "Average Difference" HA 12 0.687 0.659 0.204 18510 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18510 112 1 19 "Average Difference" CA 12 3.759 3.412 1.648 18510 113 1 19 "Average Difference" CB 12 7.777 -2.272 7.769 18510 114 1 19 "Average Difference" HN 12 0.521 0.399 0.350 18510 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 18510 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.790 -0.585 18510 2 1 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.065 -3.285 18510 3 1 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.171 -1.271 18510 4 1 . 1 1 2 2 ASN H H 2 8.461 8.461 8.821 -0.360 18510 5 1 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.540 -0.356 18510 6 1 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.176 -6.646 18510 7 1 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.917 12.683 18510 8 1 . 1 1 3 3 CYS H H 3 8.353 8.353 8.073 0.280 18510 9 1 . 1 1 4 4 SER HA H 4 3.876 3.876 4.668 -0.792 18510 10 1 . 1 1 4 4 SER CA C 4 55.100 55.100 57.627 -2.527 18510 11 1 . 1 1 4 4 SER CB C 4 60.060 60.060 64.470 -4.410 18510 12 1 . 1 1 4 4 SER H H 4 7.829 7.829 7.948 -0.119 18510 13 1 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.119 -0.640 18510 14 1 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.091 -3.691 18510 15 1 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.234 -3.144 18510 16 1 . 1 1 5 5 ARG H H 5 8.119 8.119 8.765 -0.646 18510 17 1 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.577 -0.463 18510 18 1 . 1 1 6 6 TRP CA C 6 54.220 54.220 56.605 -2.385 18510 19 1 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.753 11.247 18510 20 1 . 1 1 6 6 TRP H H 6 7.443 7.443 8.086 -0.643 18510 21 1 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.567 -0.896 18510 22 1 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.859 -2.358 18510 23 1 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.638 -2.338 18510 24 1 . 1 1 7 7 ALA H H 7 7.176 7.176 7.824 -0.648 18510 25 1 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.371 -0.784 18510 26 1 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.003 -2.703 18510 27 1 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.809 -3.709 18510 28 1 . 1 1 8 8 ARG H H 8 7.849 7.849 8.234 -0.385 18510 29 1 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.584 -0.581 18510 30 1 . 1 1 9 9 ASP CA C 9 51.010 51.010 54.259 -3.249 18510 31 1 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.643 -3.843 18510 32 1 . 1 1 9 9 ASP H H 9 7.641 7.641 8.338 -0.697 18510 33 1 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.519 -0.530 18510 34 1 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.510 -5.620 18510 35 1 . 1 1 10 10 HIS CB C 10 40.100 40.100 29.670 10.430 18510 36 1 . 1 1 10 10 HIS H H 10 7.712 7.712 8.359 -0.647 18510 37 1 . 1 1 11 11 SER HA H 11 3.867 3.867 4.393 -0.526 18510 38 1 . 1 1 11 11 SER CA C 11 55.840 55.840 58.590 -2.750 18510 39 1 . 1 1 11 11 SER CB C 11 60.090 60.090 62.423 -2.333 18510 40 1 . 1 1 11 11 SER H H 11 7.768 7.768 8.363 -0.595 18510 41 1 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.515 -0.846 18510 42 1 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.473 -0.893 18510 43 1 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.882 -2.982 18510 44 1 . 1 1 12 12 ARG H H 12 8.180 8.180 8.073 0.107 18510 45 1 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.597 -0.583 18510 46 1 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.336 -4.676 18510 47 1 . 1 1 13 13 CYS CB C 13 40.100 40.100 25.044 15.056 18510 48 1 . 1 1 13 13 CYS H H 13 7.897 7.897 8.441 -0.544 18510 stop_ save_