============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 17 1.000 14.284 -6.627 34.366 -99.200 -91.000 PHE 35 1.000 4.565 0.330 28.322 -99.200 -91.000 HIS 39 0.900 5.789 -14.674 39.836 -99.200 -91.000 HIS 79 0.900 20.171 0.023 33.085 -99.200 -91.000 TRP 91 1.040 28.198 -5.771 43.131 -99.200 -91.000 TRP6 91 1.020 27.697 -7.898 44.048 -99.200 -91.000 TYR 104 0.840 24.901 -14.162 36.586 -99.200 -91.000 PHE 115 1.000 25.070 -19.695 34.219 -99.200 -91.000 TRP 120 1.040 27.068 -22.354 45.302 -99.200 -91.000 TRP6 120 1.020 26.072 -24.504 45.372 -99.200 -91.000 HIS 128 0.900 21.387 -21.453 23.900 -99.200 -91.000 TRP 154 1.040 16.022 -24.457 45.045 -99.200 -91.000 TRP6 154 1.020 17.342 -24.020 43.128 -99.200 -91.000