============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 2 1.000 15.959 2.280 72.194 -99.200 -91.000 TYR 11 0.840 20.272 0.574 70.400 -99.200 -91.000 PHE 16 1.000 23.218 5.213 62.233 -99.200 -91.000 HIS 22 0.900 34.152 -3.674 64.178 -99.200 -91.000 PHE 23 1.000 31.220 0.101 54.668 -99.200 -91.000 PHE 36 1.000 40.287 -10.264 50.647 -99.200 -91.000 PHE 59 1.000 17.319 7.376 63.527 -99.200 -91.000 HIS 67 0.900 19.072 13.549 74.963 -99.200 -91.000 TRP 76 1.040 11.116 11.316 64.013 -99.200 -91.000 TRP6 76 1.020 13.302 12.157 64.294 -99.200 -91.000 PHE 82 1.000 15.529 7.545 58.779 -99.200 -91.000 PHE 89 1.000 22.983 0.404 56.374 -99.200 -91.000 PHE 105 1.000 39.954 -6.837 46.768 -99.200 -91.000 HIS 123 0.900 25.497 9.526 57.071 -99.200 -91.000 PHE 126 1.000 15.877 11.133 55.145 -99.200 -91.000