============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 29 1.000 34.074 -11.537 3.169 -99.200 -91.000 PHE 34 1.000 22.208 -3.689 0.049 -99.200 -91.000 TYR 38 0.840 14.462 -6.830 9.278 -99.200 -91.000 PHE 43 1.000 27.532 -9.885 10.368 -99.200 -91.000 TYR 46 0.840 29.618 -15.823 8.234 -99.200 -91.000 TRP 62 1.040 35.116 -10.255 16.279 -99.200 -91.000 TRP6 62 1.020 34.847 -10.430 18.634 -99.200 -91.000 TYR 70 0.840 24.693 2.714 20.874 -99.200 -91.000 TYR 78 0.840 38.174 -0.633 19.140 -99.200 -91.000 PHE 88 1.000 35.429 7.270 3.088 -99.200 -91.000 TRP 103 1.040 35.067 6.508 13.358 -99.200 -91.000 TRP6 103 1.020 34.114 5.259 15.136 -99.200 -91.000 HIS 109 0.900 43.907 5.051 24.325 -99.200 -91.000 PHE 110 1.000 40.245 2.127 23.698 -99.200 -91.000 HIS 130 0.900 18.043 11.780 -3.111 -99.200 -91.000 PHE 158 1.000 48.441 -3.655 4.214 -99.200 -91.000 TYR 160 0.840 40.218 4.948 -0.549 -99.200 -91.000 PHE 175 1.000 34.889 -7.896 4.138 -99.200 -91.000