============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 21.135 -31.530 105.362 -99.200 -91.000 TRP6 14 1.020 22.181 -32.958 103.800 -99.200 -91.000 PHE 19 1.000 6.491 -18.647 108.551 -99.200 -91.000 TRP 37 1.040 10.879 -39.241 114.213 -99.200 -91.000 TRP6 37 1.020 10.114 -38.539 116.340 -99.200 -91.000 HIS 43 0.900 18.444 -21.553 121.695 -99.200 -91.000 TYR 47 0.840 16.747 -18.547 127.122 -99.200 -91.000 TRP 49 1.040 15.640 -13.850 126.534 -99.200 -91.000 TRP6 49 1.020 16.714 -14.061 124.432 -99.200 -91.000 PHE 53 1.000 7.431 -19.557 120.045 -99.200 -91.000 HIS 65 0.900 18.264 -20.646 97.175 -99.200 -91.000 TYR 70 0.840 3.955 -21.724 98.565 -99.200 -91.000 TYR 84 0.840 8.217 -36.632 121.566 -99.200 -91.000 HIS 86 0.900 18.285 -34.490 127.368 -99.200 -91.000 TYR 89 0.840 16.666 -25.923 127.151 -99.200 -91.000 TRP 91 1.040 14.917 -23.779 131.507 -99.200 -91.000 TRP6 91 1.020 14.555 -22.200 133.233 -99.200 -91.000 PHE 110 1.000 12.854 -38.685 102.358 -99.200 -91.000 TYR 113 0.840 13.971 -28.535 94.381 -99.200 -91.000 HIS 115 0.900 17.933 -37.887 100.600 -99.200 -91.000 TYR 132 0.840 39.888 -34.000 110.970 -99.200 -91.000 TRP 139 1.040 16.607 -19.351 104.786 -99.200 -91.000 TRP6 139 1.020 16.036 -21.608 105.192 -99.200 -91.000 TRP 146 1.040 23.058 -7.752 119.362 -99.200 -91.000 TRP6 146 1.020 24.913 -6.666 120.349 -99.200 -91.000 PHE 184 1.000 30.547 -29.335 117.651 -99.200 -91.000 TYR 188 0.840 38.078 -20.220 109.095 -99.200 -91.000 PHE 207 1.000 30.208 -28.045 112.590 -99.200 -91.000 PHE 213 1.000 36.562 -42.644 107.176 -99.200 -91.000 TRP 217 1.040 26.947 -34.013 102.490 -99.200 -91.000 TRP6 217 1.020 28.390 -32.212 103.012 -99.200 -91.000 TYR 218 0.840 27.586 -40.030 108.664 -99.200 -91.000 TRP 225 1.040 26.068 -21.736 123.943 -99.200 -91.000 TRP6 225 1.020 28.000 -20.624 124.745 -99.200 -91.000 TYR 235 0.840 37.149 -19.428 118.886 -99.200 -91.000 PHE 237 1.000 31.162 -22.205 123.035 -99.200 -91.000 TYR 238 0.840 28.133 -24.657 115.841 -99.200 -91.000 HIS 240 0.900 29.533 -34.312 120.829 -99.200 -91.000 PHE 242 1.000 28.552 -40.842 119.284 -99.200 -91.000 TRP 247 1.040 16.033 -37.348 125.015 -99.200 -91.000 TRP6 247 1.020 15.844 -35.781 123.252 -99.200 -91.000 PHE 255 1.000 4.980 -43.260 122.427 -99.200 -91.000