============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. HIS 2 0.900 50.415 -14.147 8.539 -99.200 -91.000 TYR 3 0.840 52.697 -6.480 8.933 -99.200 -91.000 PHE 22 1.000 51.211 -0.931 22.834 -99.200 -91.000 TRP 25 1.040 45.835 1.513 25.818 -99.200 -91.000 TRP6 25 1.020 45.875 -0.595 24.761 -99.200 -91.000 HIS 35 0.900 36.372 2.541 36.899 -99.200 -91.000 TYR 41 0.840 40.867 4.601 25.302 -99.200 -91.000 TYR 65 0.840 36.717 -3.851 24.184 -99.200 -91.000 PHE 66 1.000 39.996 -0.970 27.214 -99.200 -91.000 PHE 68 1.000 41.203 -6.716 25.149 -99.200 -91.000 TYR 79 0.840 54.267 -1.605 9.571 -99.200 -91.000 TYR 96 0.840 47.363 -3.416 19.032 -99.200 -91.000 PHE 98 1.000 45.730 -6.398 22.243 -99.200 -91.000 TYR 114 0.840 49.206 0.074 16.611 -99.200 -91.000 PHE 116 1.000 46.563 2.774 20.683 -99.200 -91.000 TYR 118 0.840 48.447 8.219 21.178 -99.200 -91.000 TRP 125 1.040 51.336 13.404 23.973 -99.200 -91.000 TRP6 125 1.020 50.776 14.256 21.848 -99.200 -91.000 HIS 130 0.900 42.761 1.289 20.822 -99.200 -91.000 HIS 131 0.900 38.986 0.853 13.120 -99.200 -91.000