============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 41.658 15.196 7.253 -99.200 -91.000 TRP6 9 1.020 42.394 13.264 8.372 -99.200 -91.000 TYR 10 0.840 45.435 16.991 -0.045 -99.200 -91.000 PHE 17 1.000 37.068 15.792 4.971 -99.200 -91.000 TYR 31 0.840 35.554 15.800 -0.910 -99.200 -91.000 TYR 42 0.840 31.529 21.352 -6.037 -99.200 -91.000 TYR 48 0.840 33.331 16.033 16.340 -99.200 -91.000 TRP 63 1.040 32.352 14.699 4.209 -99.200 -91.000 TRP6 63 1.020 33.883 13.149 5.110 -99.200 -91.000 TRP 67 1.040 28.927 16.021 -5.539 -99.200 -91.000 TRP6 67 1.020 31.167 16.544 -5.002 -99.200 -91.000 TYR 71 0.840 33.114 29.474 -9.892 -99.200 -91.000 HIS 75 0.900 21.445 19.421 -12.174 -99.200 -91.000 TRP 80 1.040 33.076 10.821 1.166 -99.200 -91.000 TRP6 80 1.020 32.248 12.704 0.090 -99.200 -91.000 TYR 84 0.840 40.802 11.232 13.797 -99.200 -91.000 TRP 96 1.040 32.607 7.241 -2.046 -99.200 -91.000 TRP6 96 1.020 31.467 6.963 -4.076 -99.200 -91.000 TRP 108 1.040 16.422 1.471 -12.732 -99.200 -91.000 TRP6 108 1.020 18.345 0.232 -13.206 -99.200 -91.000 HIS 115 0.900 36.399 1.124 -1.449 -99.200 -91.000 PHE 118 1.000 38.529 11.482 2.345 -99.200 -91.000