============================================================================= 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. PHE 25 1.000 28.253 32.601 17.116 -99.200 -91.000 PHE 43 1.000 23.609 43.774 4.971 -99.200 -91.000 HIS 45 0.900 27.789 52.063 11.335 -99.200 -91.000 TRP 53 1.040 35.229 38.103 4.563 -99.200 -91.000 TRP6 53 1.020 37.133 37.307 3.410 -99.200 -91.000 TYR 67 0.840 15.157 28.592 0.519 -99.200 -91.000 TYR 76 0.840 19.203 22.212 5.504 -99.200 -91.000 TYR 93 0.840 14.518 22.174 18.651 -99.200 -91.000 PHE 95 1.000 18.714 24.644 17.604 -99.200 -91.000 HIS 136 0.900 21.812 40.806 15.227 -99.200 -91.000 TRP 144 1.040 25.512 30.422 22.473 -99.200 -91.000 TRP6 144 1.020 27.786 29.757 22.383 -99.200 -91.000 TYR 146 0.840 23.299 24.072 14.124 -99.200 -91.000 HIS 154 0.900 29.811 17.212 15.191 -99.200 -91.000