============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 3 1.000 24.016 21.920 13.111 -99.200 -91.000 PHE 4 1.000 30.218 15.847 15.411 -99.200 -91.000 TYR 11 0.840 17.246 9.538 7.476 -99.200 -91.000 PHE 13 1.000 17.540 15.487 3.639 -99.200 -91.000 HIS 17 0.900 22.536 3.704 3.142 -99.200 -91.000 TYR 18 0.840 23.181 10.810 5.215 -99.200 -91.000 HIS 25 0.900 31.640 18.873 11.010 -99.200 -91.000 PHE 34 1.000 32.432 15.023 6.198 -99.200 -91.000 TRP 35 1.040 27.851 8.097 7.965 -99.200 -91.000 TRP6 35 1.020 26.937 6.318 6.700 -99.200 -91.000 PHE 43 1.000 41.383 16.307 12.589 -99.200 -91.000 TYR 53 0.840 28.049 14.308 19.253 -99.200 -91.000 PHE 62 1.000 16.951 18.433 13.807 -99.200 -91.000 TYR 70 0.840 21.471 26.869 10.018 -99.200 -91.000 PHE 74 1.000 22.091 17.349 5.184 -99.200 -91.000 HIS 80 0.900 37.741 2.931 0.942 -99.200 -91.000