============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 3 0.840 31.590 -20.488 22.217 -99.200 -91.000 TRP 21 1.040 31.635 0.066 32.744 -99.200 -91.000 TRP6 21 1.020 33.508 0.647 31.419 -99.200 -91.000 PHE 40 1.000 49.734 4.407 22.436 -99.200 -91.000 TYR 49 0.840 51.679 -4.019 16.693 -99.200 -91.000 PHE 50 1.000 47.734 1.387 19.191 -99.200 -91.000 HIS 68 0.900 42.267 3.632 19.570 -99.200 -91.000 TYR 74 0.840 30.767 5.105 24.444 -99.200 -91.000 PHE 79 1.000 34.613 -6.610 25.120 -99.200 -91.000 PHE 96 1.000 34.494 -4.282 19.858 -99.200 -91.000 HIS 100 0.900 42.013 -5.216 18.916 -99.200 -91.000 PHE 110 1.000 43.092 -7.461 23.477 -99.200 -91.000 PHE 126 1.000 37.086 0.665 42.148 -99.200 -91.000 TYR 130 0.840 37.239 -4.149 42.934 -99.200 -91.000 TRP 134 1.040 38.124 -4.468 35.196 -99.200 -91.000 TRP6 134 1.020 36.956 -3.802 33.252 -99.200 -91.000