============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. HIS 10 0.900 23.246 17.967 25.788 -99.200 -91.000 PHE 16 1.000 39.886 9.081 26.329 -99.200 -91.000 PHE 24 1.000 40.081 7.284 32.107 -99.200 -91.000 TRP 26 1.040 37.600 3.346 26.714 -99.200 -91.000 TRP6 26 1.020 36.132 1.822 25.650 -99.200 -91.000 HIS 48 0.900 29.533 12.130 34.590 -99.200 -91.000 TYR 51 0.840 26.747 12.354 39.506 -99.200 -91.000 TYR 55 0.840 28.270 23.553 36.756 -99.200 -91.000 HIS 62 0.900 27.214 19.379 43.991 -99.200 -91.000 PHE 80 1.000 41.823 4.798 36.586 -99.200 -91.000 HIS 83 0.900 42.043 15.845 42.349 -99.200 -91.000 TYR 96 0.840 31.968 22.192 23.452 -99.200 -91.000 PHE 97 1.000 30.464 21.209 31.567 -99.200 -91.000 PHE 100 1.000 42.634 19.665 32.474 -99.200 -91.000