============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. TRP 6 1.040 34.276 5.712 22.602 -99.200 -91.000 TRP6 6 1.020 33.697 4.556 24.577 -99.200 -91.000 PHE 33 1.000 21.625 10.643 1.351 -99.200 -91.000 TRP 42 1.040 11.246 8.238 -9.462 -99.200 -91.000 TRP6 42 1.020 9.492 6.993 -8.484 -99.200 -91.000 PHE 53 1.000 5.141 -0.846 3.814 -99.200 -91.000 TYR 59 0.840 15.893 9.172 -8.008 -99.200 -91.000 HIS 69 0.900 37.861 9.939 0.061 -99.200 -91.000 PHE 99 1.000 36.338 -7.224 15.992 -99.200 -91.000