============================================================================= 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. TRP 9 1.040 -11.272 14.155 -12.096 -99.200 -91.000 TRP6 9 1.020 -10.854 13.367 -9.914 -99.200 -91.000 TYR 18 0.840 -10.012 12.721 -0.414 -99.200 -91.000 TRP 30 1.040 -19.557 8.438 -9.683 -99.200 -91.000 TRP6 30 1.020 -21.183 6.743 -9.373 -99.200 -91.000 TRP 35 1.040 -20.343 6.420 -4.720 -99.200 -91.000 TRP6 35 1.020 -19.021 8.354 -4.421 -99.200 -91.000 TYR 36 0.840 -12.669 3.334 -7.025 -99.200 -91.000 PHE 40 1.000 -5.594 10.776 1.945 -99.200 -91.000 TRP 52 1.040 -3.901 21.205 -10.494 -99.200 -91.000 TRP6 52 1.020 -3.349 20.892 -8.223 -99.200 -91.000 HIS 59 0.900 -1.384 16.978 -11.554 -99.200 -91.000 TYR 63 0.840 -3.955 21.310 1.375 -99.200 -91.000 TRP 73 1.040 -1.028 13.284 3.574 -99.200 -91.000 TRP6 73 1.020 0.972 12.030 3.632 -99.200 -91.000 TRP 75 1.040 -3.694 10.971 -8.105 -99.200 -91.000 TRP6 75 1.020 -3.328 8.729 -7.591 -99.200 -91.000 TRP 80 1.040 -3.277 9.369 -2.419 -99.200 -91.000 TRP6 80 1.020 -4.306 11.486 -2.613 -99.200 -91.000 TYR 85 0.840 -0.285 23.888 4.450 -99.200 -91.000