============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 75 rings ring int. center anis. iso. PHE 5 1.000 -69.240 -18.106 55.179 -99.200 -91.000 TYR 9 0.840 -75.604 -19.526 52.424 -99.200 -91.000 PHE 22 1.000 -78.834 -42.176 47.763 -99.200 -91.000 PHE 24 1.000 -76.529 -38.528 53.077 -99.200 -91.000 TRP 25 1.040 -73.586 -30.715 52.812 -99.200 -91.000 TRP6 25 1.020 -75.865 -30.273 53.146 -99.200 -91.000 PHE 29 1.000 -65.073 -33.956 50.408 -99.200 -91.000 TYR 30 0.840 -75.451 -32.257 48.289 -99.200 -91.000 PHE 33 1.000 -78.171 -41.765 41.535 -99.200 -91.000 PHE 34 1.000 -76.654 -37.443 39.382 -99.200 -91.000 PHE 39 1.000 -66.940 -44.116 47.985 -99.200 -91.000 PHE 40 1.000 -70.714 -48.656 41.194 -99.200 -91.000 PHE 41 1.000 -70.315 -44.584 37.474 -99.200 -91.000 TRP 51 1.040 -57.133 -58.026 39.243 -99.200 -91.000 TRP6 51 1.020 -58.893 -58.557 37.754 -99.200 -91.000 TRP 59 1.040 -48.699 -53.474 44.359 -99.200 -91.000 TRP6 59 1.020 -50.677 -52.470 45.207 -99.200 -91.000 TYR 67 0.840 -49.286 -48.627 26.855 -99.200 -91.000 TYR 73 0.840 -57.421 -57.692 21.411 -99.200 -91.000 TRP 86 1.040 -57.502 -47.463 28.180 -99.200 -91.000 TRP6 86 1.020 -59.147 -46.924 26.586 -99.200 -91.000 PHE 97 1.000 -63.219 -38.104 34.576 -99.200 -91.000 TRP 100 1.040 -66.571 -33.238 40.280 -99.200 -91.000 TRP6 100 1.020 -65.846 -33.995 42.405 -99.200 -91.000 TYR 115 0.840 -78.459 -24.826 37.025 -99.200 -91.000 HIS 116 0.900 -72.980 -18.919 34.700 -99.200 -91.000 PHE 119 1.000 -71.974 -24.381 28.984 -99.200 -91.000 PHE 121 1.000 -65.529 -31.827 35.349 -99.200 -91.000 PHE 123 1.000 -66.983 -25.848 26.574 -99.200 -91.000 TYR 128 0.840 -61.391 -39.456 29.785 -99.200 -91.000 PHE 134 1.000 -67.081 -37.863 21.793 -99.200 -91.000 TRP 142 1.040 -62.286 -49.825 21.866 -99.200 -91.000 TRP6 142 1.020 -63.744 -48.005 22.248 -99.200 -91.000 TYR 144 0.840 -55.631 -45.794 15.523 -99.200 -91.000 PHE 146 1.000 -55.452 -40.265 27.680 -99.200 -91.000 TYR 148 0.840 -57.164 -44.384 31.060 -99.200 -91.000 TRP 151 1.040 -43.091 -40.614 34.396 -99.200 -91.000 TRP6 151 1.020 -42.229 -38.434 34.074 -99.200 -91.000 HIS 153 0.900 -50.203 -38.568 30.910 -99.200 -91.000 TRP 156 1.040 -51.513 -41.764 22.840 -99.200 -91.000 TRP6 156 1.020 -52.594 -39.701 22.770 -99.200 -91.000 TYR 162 0.840 -41.617 -35.332 17.636 -99.200 -91.000 TYR 164 0.840 -50.823 -37.515 12.842 -99.200 -91.000 PHE 167 1.000 -50.566 -32.768 16.624 -99.200 -91.000 HIS 168 0.900 -44.210 -26.598 18.074 -99.200 -91.000 TYR 169 0.840 -44.707 -26.172 10.815 -99.200 -91.000 HIS 173 0.900 -50.714 -28.213 19.080 -99.200 -91.000 PHE 179 1.000 -59.012 -18.657 21.887 -99.200 -91.000 PHE 180 1.000 -54.688 -24.813 26.893 -99.200 -91.000 PHE 181 1.000 -48.138 -20.176 25.013 -99.200 -91.000 HIS 190 0.900 -59.672 -11.048 38.112 -99.200 -91.000 HIS 211 0.900 -58.414 4.207 43.240 -99.200 -91.000 PHE 215 1.000 -51.942 -0.951 36.579 -99.200 -91.000 PHE 216 1.000 -54.782 -4.106 32.787 -99.200 -91.000 TYR 222 0.840 -61.188 -2.296 26.608 -99.200 -91.000 HIS 230 0.900 -64.423 -11.903 37.761 -99.200 -91.000 PHE 242 1.000 -64.760 -25.589 19.724 -99.200 -91.000 PHE 243 1.000 -60.625 -22.828 18.327 -99.200 -91.000 TRP 255 1.040 -53.162 -33.113 7.846 -99.200 -91.000 TRP6 255 1.020 -52.803 -32.454 5.627 -99.200 -91.000 PHE 256 1.000 -54.848 -39.654 5.552 -99.200 -91.000 TRP 259 1.040 -51.478 -31.653 11.676 -99.200 -91.000 TRP6 259 1.020 -53.393 -30.722 10.651 -99.200 -91.000 TRP 262 1.040 -54.118 -27.721 6.292 -99.200 -91.000 TRP6 262 1.020 -54.029 -25.523 7.165 -99.200 -91.000 TRP 263 1.040 -49.287 -24.671 7.977 -99.200 -91.000 TRP6 263 1.020 -50.408 -22.784 8.848 -99.200 -91.000 TRP 265 1.040 -54.509 -23.586 3.178 -99.200 -91.000 TRP6 265 1.020 -55.709 -21.611 2.684 -99.200 -91.000 TRP 266 1.040 -50.828 -17.946 2.379 -99.200 -91.000 TRP6 266 1.020 -52.810 -16.702 2.763 -99.200 -91.000 TRP 271 1.040 -53.615 -14.620 -5.165 -99.200 -91.000 TRP6 271 1.020 -55.639 -15.669 -4.538 -99.200 -91.000 TRP 272 1.040 -49.816 -16.309 -3.153 -99.200 -91.000 TRP6 272 1.020 -50.787 -14.671 -1.764 -99.200 -91.000