============================================================================= 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. PHE 2 1.000 15.477 24.513 20.645 -99.200 -91.000 TYR 5 0.840 10.877 9.929 22.868 -99.200 -91.000 PHE 6 1.000 7.489 15.766 29.023 -99.200 -91.000 TYR 18 0.840 -5.611 15.978 19.632 -99.200 -91.000 PHE 46 1.000 19.769 14.477 15.141 -99.200 -91.000 PHE 53 1.000 15.341 12.692 35.161 -99.200 -91.000 TRP 55 1.040 17.656 6.138 38.889 -99.200 -91.000 TRP6 55 1.020 15.910 7.736 38.875 -99.200 -91.000 PHE 64 1.000 20.387 15.056 43.412 -99.200 -91.000 TYR 69 0.840 30.794 8.752 34.175 -99.200 -91.000 PHE 80 1.000 40.248 3.601 32.586 -99.200 -91.000 PHE 89 1.000 21.237 -4.089 30.736 -99.200 -91.000 TYR 95 0.840 15.759 -4.349 29.419 -99.200 -91.000 TRP 104 1.040 8.154 5.914 27.181 -99.200 -91.000 TRP6 104 1.020 9.015 7.552 28.656 -99.200 -91.000 HIS 105 0.900 2.401 9.923 23.493 -99.200 -91.000 HIS 125 0.900 -5.934 38.397 19.484 -99.200 -91.000 PHE 140 1.000 1.785 28.029 25.168 -99.200 -91.000 TYR 149 0.840 -13.288 24.398 12.661 -99.200 -91.000 TYR 155 0.840 -7.652 18.562 12.507 -99.200 -91.000