============================================================================= 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. TYR 29 0.840 26.423 15.136 18.072 -99.200 -91.000 TYR 37 0.840 14.380 -9.133 24.397 -99.200 -91.000 PHE 51 1.000 21.572 -0.287 14.802 -99.200 -91.000 PHE 55 1.000 25.279 3.293 12.290 -99.200 -91.000 PHE 63 1.000 18.466 -8.820 23.655 -99.200 -91.000 PHE 80 1.000 27.316 -11.994 25.862 -99.200 -91.000 HIS 90 0.900 14.948 -7.265 35.379 -99.200 -91.000 PHE 92 1.000 12.435 -9.232 42.952 -99.200 -91.000 PHE 113 1.000 26.791 -2.447 31.192 -99.200 -91.000 HIS 120 0.900 9.342 0.497 36.383 -99.200 -91.000 PHE 126 1.000 5.969 -6.534 44.395 -99.200 -91.000 TYR 146 0.840 27.197 -3.473 39.793 -99.200 -91.000 PHE 168 1.000 30.233 2.354 32.105 -99.200 -91.000 PHE 187 1.000 25.336 10.690 43.596 -99.200 -91.000 TYR 198 0.840 13.236 6.339 20.635 -99.200 -91.000