============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 28 1.000 17.560 -15.335 48.712 -99.200 -91.000 TYR 31 0.840 16.917 -10.812 53.446 -99.200 -91.000 TRP 35 1.040 19.985 -6.042 42.174 -99.200 -91.000 TRP6 35 1.020 22.232 -6.206 42.881 -99.200 -91.000 TRP 46 1.040 13.499 -0.279 41.989 -99.200 -91.000 TRP6 46 1.020 11.952 -1.099 40.403 -99.200 -91.000 PHE 54 1.000 6.022 -16.620 47.688 -99.200 -91.000 HIS 58 0.900 6.838 -5.836 40.373 -99.200 -91.000 TYR 59 0.840 13.461 -7.437 35.474 -99.200 -91.000 PHE 63 1.000 19.254 0.751 33.759 -99.200 -91.000 TYR 79 0.840 23.937 -14.595 41.888 -99.200 -91.000 PHE 92 1.000 25.366 -1.006 38.258 -99.200 -91.000 TYR 93 0.840 24.981 2.304 46.703 -99.200 -91.000 TYR 98 0.840 15.433 -6.444 59.839 -99.200 -91.000 TRP 105 1.040 8.072 -4.167 47.042 -99.200 -91.000 TRP6 105 1.020 9.377 -5.308 45.435 -99.200 -91.000 TYR 106 0.840 10.012 0.417 54.554 -99.200 -91.000 PHE 107 1.000 14.541 -0.001 48.140 -99.200 -91.000 TRP 110 1.040 19.876 1.378 51.491 -99.200 -91.000 TRP6 110 1.020 19.763 2.271 49.299 -99.200 -91.000 PHE 129 1.000 52.367 15.595 32.170 -99.200 -91.000 TYR 144 0.840 44.321 8.690 38.017 -99.200 -91.000 PHE 145 1.000 41.219 2.067 34.078 -99.200 -91.000 TRP 153 1.040 50.672 19.105 47.695 -99.200 -91.000 TRP6 153 1.020 51.763 20.112 45.849 -99.200 -91.000 HIS 163 0.900 41.097 23.346 48.582 -99.200 -91.000 PHE 165 1.000 40.264 21.077 42.497 -99.200 -91.000 TYR 175 0.840 38.337 7.337 35.511 -99.200 -91.000 TYR 193 0.840 55.971 25.702 48.875 -99.200 -91.000 HIS 199 0.900 47.543 4.083 39.464 -99.200 -91.000