============================================================================= 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 9 1.000 9.071 22.004 14.184 -99.200 -91.000 TYR 13 0.840 12.055 25.251 1.588 -99.200 -91.000 HIS 14 0.900 4.411 22.485 1.237 -99.200 -91.000 PHE 15 1.000 11.098 23.709 -6.768 -99.200 -91.000 PHE 20 1.000 3.614 29.538 -15.453 -99.200 -91.000 TRP 22 1.040 -4.962 26.538 -9.492 -99.200 -91.000 TRP6 22 1.020 -4.258 28.488 -8.355 -99.200 -91.000 PHE 37 1.000 7.691 38.634 16.861 -99.200 -91.000 HIS 42 0.900 3.850 38.214 29.111 -99.200 -91.000 PHE 57 1.000 9.154 30.049 3.991 -99.200 -91.000 PHE 60 1.000 12.610 32.427 -6.475 -99.200 -91.000 PHE 63 1.000 11.956 28.291 -8.281 -99.200 -91.000 HIS 74 0.900 12.647 30.700 26.266 -99.200 -91.000 TYR 106 0.840 23.503 28.596 -2.671 -99.200 -91.000 PHE 122 1.000 13.996 37.009 1.639 -99.200 -91.000