============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 23 0.900 -21.267 6.152 -5.896 -99.200 -91.000 PHE 25 1.000 -23.567 0.444 -8.245 -99.200 -91.000 TRP 33 1.040 -24.459 -4.030 -12.309 -99.200 -91.000 TRP6 33 1.020 -22.920 -5.480 -11.279 -99.200 -91.000 PHE 36 1.000 -22.169 -5.118 -0.441 -99.200 -91.000 HIS 48 0.900 -8.582 0.853 4.744 -99.200 -91.000 PHE 56 1.000 -16.907 -8.743 -0.311 -99.200 -91.000 TYR 61 0.840 -19.954 -8.438 -3.760 -99.200 -91.000 TYR 70 0.840 -8.276 12.579 -8.258 -99.200 -91.000 TRP 71 1.040 -8.342 12.229 -13.604 -99.200 -91.000 TRP6 71 1.020 -6.143 12.754 -12.927 -99.200 -91.000 PHE 79 1.000 -11.119 7.780 -23.546 -99.200 -91.000 HIS 80 0.900 -10.473 5.917 -19.202 -99.200 -91.000 HIS 82 0.900 -18.191 4.837 -14.685 -99.200 -91.000 PHE 87 1.000 -14.511 -7.707 -6.850 -99.200 -91.000 TYR 97 0.840 -11.971 -10.724 -2.819 -99.200 -91.000 TYR 106 0.840 -7.107 11.888 -22.652 -99.200 -91.000 TYR 108 0.840 -9.393 2.725 -15.840 -99.200 -91.000