============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 4 1.000 7.820 36.071 28.568 -99.200 -91.000 TRP 13 1.040 15.067 30.537 25.269 -99.200 -91.000 TRP6 13 1.020 13.271 30.739 23.748 -99.200 -91.000 PHE 25 1.000 12.629 48.549 27.651 -99.200 -91.000 PHE 37 1.000 16.528 45.333 31.521 -99.200 -91.000 TYR 40 0.840 11.542 32.955 32.412 -99.200 -91.000 HIS 46 0.900 22.556 29.543 32.452 -99.200 -91.000 TYR 48 0.840 24.632 38.921 33.594 -99.200 -91.000 TRP 57 1.040 17.846 48.795 17.596 -99.200 -91.000 TRP6 57 1.020 16.182 49.485 19.091 -99.200 -91.000 TYR 67 0.840 21.233 33.923 34.935 -99.200 -91.000 TYR 93 0.840 14.361 53.936 26.019 -99.200 -91.000 TYR 100 0.840 28.114 33.808 25.929 -99.200 -91.000 PHE 121 1.000 7.238 49.341 31.690 -99.200 -91.000 PHE 123 1.000 7.019 44.337 27.942 -99.200 -91.000 TYR 145 0.840 8.186 50.240 36.641 -99.200 -91.000 TYR 146 0.840 13.763 54.697 40.763 -99.200 -91.000