============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 22 1.040 22.881 55.508 31.768 -99.200 -91.000 TRP6 22 1.020 22.970 53.552 30.677 -99.200 -91.000 TRP 30 1.040 29.077 60.702 22.068 -99.200 -91.000 TRP6 30 1.020 31.154 60.785 20.879 -99.200 -91.000 PHE 31 1.000 21.186 62.378 21.489 -99.200 -91.000 HIS 45 0.900 8.119 51.598 23.412 -99.200 -91.000 TRP 47 1.040 7.380 61.372 20.930 -99.200 -91.000 TRP6 47 1.020 8.160 63.584 20.624 -99.200 -91.000 TRP 74 1.040 3.774 62.219 14.577 -99.200 -91.000 TRP6 74 1.020 4.217 60.952 16.519 -99.200 -91.000 TYR 100 0.840 19.854 52.112 18.351 -99.200 -91.000 PHE 103 1.000 16.413 53.761 9.764 -99.200 -91.000 TYR 111 0.840 28.657 59.480 15.083 -99.200 -91.000 HIS 114 0.900 31.210 50.161 23.512 -99.200 -91.000 HIS 124 0.900 20.933 41.961 25.072 -99.200 -91.000 PHE 125 1.000 23.830 49.068 18.410 -99.200 -91.000 TYR 128 0.840 29.173 46.294 17.031 -99.200 -91.000 TRP 133 1.040 30.564 47.620 11.709 -99.200 -91.000 TRP6 133 1.020 29.461 49.521 11.010 -99.200 -91.000 PHE 137 1.000 36.876 59.986 19.726 -99.200 -91.000 PHE 140 1.000 37.653 54.308 30.991 -99.200 -91.000 HIS 141 0.900 35.956 60.992 28.823 -99.200 -91.000 HIS 149 0.900 26.836 53.689 36.135 -99.200 -91.000 TYR 151 0.840 31.796 59.098 30.368 -99.200 -91.000 PHE 153 1.000 31.811 60.131 25.150 -99.200 -91.000