============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 4 1.000 18.713 55.578 16.282 -99.200 -91.000 PHE 19 1.000 6.532 63.818 25.289 -99.200 -91.000 PHE 55 1.000 19.385 74.251 20.611 -99.200 -91.000 TYR 58 0.840 29.456 67.750 17.424 -99.200 -91.000 PHE 77 1.000 31.523 72.989 39.083 -99.200 -91.000 HIS 90 0.900 17.550 77.848 32.179 -99.200 -91.000 TYR 94 0.840 13.167 78.352 30.155 -99.200 -91.000 PHE 100 1.000 7.652 67.609 28.838 -99.200 -91.000 HIS 123 0.900 27.399 64.116 35.204 -99.200 -91.000 HIS 135 0.900 22.662 64.803 37.111 -99.200 -91.000 HIS 136 0.900 18.340 59.672 36.350 -99.200 -91.000 TYR 140 0.840 25.306 54.774 29.792 -99.200 -91.000