============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. HIS 1 0.900 20.731 -18.797 79.343 -99.200 -91.000 HIS 4 0.900 21.502 -26.250 82.531 -99.200 -91.000 PHE 41 1.000 15.397 -30.246 74.414 -99.200 -91.000 PHE 42 1.000 13.044 -34.859 74.631 -99.200 -91.000 TRP 50 1.040 5.461 -33.581 87.693 -99.200 -91.000 TRP6 50 1.020 4.398 -35.401 88.793 -99.200 -91.000 TYR 53 0.840 17.850 -29.681 84.344 -99.200 -91.000 PHE 60 1.000 12.353 -25.802 75.323 -99.200 -91.000 TYR 61 0.840 11.759 -20.698 73.685 -99.200 -91.000 TRP 76 1.040 8.962 -28.848 63.516 -99.200 -91.000 TRP6 76 1.020 8.644 -26.553 62.992 -99.200 -91.000 HIS 84 0.900 3.955 -30.788 72.771 -99.200 -91.000 TRP 86 1.040 5.760 -23.260 79.961 -99.200 -91.000 TRP6 86 1.020 3.731 -22.541 78.967 -99.200 -91.000 HIS 87 0.900 -0.708 -27.042 76.817 -99.200 -91.000 PHE 91 1.000 -3.405 -30.067 80.341 -99.200 -91.000 TRP 100 1.040 5.714 -36.304 83.022 -99.200 -91.000 TRP6 100 1.020 5.334 -33.959 83.017 -99.200 -91.000 TYR 112 0.840 -0.768 -27.167 71.425 -99.200 -91.000 TYR 124 0.840 -14.838 -31.631 78.456 -99.200 -91.000 TRP 130 1.040 -6.709 -32.305 66.981 -99.200 -91.000 TRP6 130 1.020 -8.418 -33.533 68.067 -99.200 -91.000 TRP 132 1.040 -0.472 -30.342 59.388 -99.200 -91.000 TRP6 132 1.020 1.086 -30.056 57.629 -99.200 -91.000 HIS 138 0.900 10.564 -41.044 68.496 -99.200 -91.000 TRP 141 1.040 0.080 -39.741 78.665 -99.200 -91.000 TRP6 141 1.020 -2.056 -39.707 79.696 -99.200 -91.000 PHE 157 1.000 -9.279 -23.790 70.317 -99.200 -91.000 PHE 160 1.000 -11.101 -31.622 74.094 -99.200 -91.000 TYR 167 0.840 -2.775 -40.730 70.839 -99.200 -91.000 TRP 173 1.040 6.471 -35.675 58.006 -99.200 -91.000 TRP6 173 1.020 5.219 -33.671 57.968 -99.200 -91.000 PHE 192 1.000 -14.990 -39.783 80.482 -99.200 -91.000 HIS 196 0.900 -8.398 -36.174 85.725 -99.200 -91.000 PHE 201 1.000 -4.838 -23.572 74.127 -99.200 -91.000 TYR 219 0.840 6.402 -24.468 84.958 -99.200 -91.000 TRP 222 1.040 -0.432 -21.252 73.676 -99.200 -91.000 TRP6 222 1.020 0.948 -23.143 74.047 -99.200 -91.000 HIS 226 0.900 2.076 -23.001 69.560 -99.200 -91.000 TYR 238 0.840 22.796 -18.538 65.164 -99.200 -91.000 TYR 241 0.840 27.672 -17.447 58.755 -99.200 -91.000 HIS 244 0.900 27.925 -20.141 52.068 -99.200 -91.000 HIS 247 0.900 31.799 -27.054 50.114 -99.200 -91.000 PHE 257 1.000 29.324 -8.608 43.358 -99.200 -91.000 TRP 273 1.040 19.931 -16.088 69.959 -99.200 -91.000 TRP6 273 1.020 18.414 -17.842 70.486 -99.200 -91.000 TYR 284 0.840 12.539 -16.678 83.626 -99.200 -91.000 PHE 295 1.000 -2.335 -7.307 74.264 -99.200 -91.000 PHE 320 1.000 19.846 -24.251 47.765 -99.200 -91.000 PHE 337 1.000 21.269 -27.121 58.538 -99.200 -91.000 TRP 338 1.040 16.323 -23.365 50.035 -99.200 -91.000 TRP6 338 1.020 15.612 -24.731 48.235 -99.200 -91.000 HIS 342 0.900 12.132 -21.582 51.855 -99.200 -91.000 HIS 347 0.900 3.088 -23.999 63.994 -99.200 -91.000 TYR 356 0.840