============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 13 1.000 -9.660 -4.392 -28.765 -99.200 -91.000 TYR 61 0.840 -9.442 -12.265 -30.891 -99.200 -91.000 PHE 70 1.000 -3.538 -2.760 -21.495 -99.200 -91.000 PHE 115 1.000 4.970 0.688 -9.246 -99.200 -91.000 PHE 158 1.000 12.111 -8.199 -2.259 -99.200 -91.000 TYR 309 0.840 16.244 19.867 4.460 -99.200 -91.000 TYR 313 0.840 13.124 18.267 13.163 -99.200 -91.000 PHE 314 1.000 10.831 17.784 19.043 -99.200 -91.000 PHE 333 1.000 12.794 22.707 7.992 -99.200 -91.000 PHE 334 1.000 16.708 27.789 15.113 -99.200 -91.000 TYR 335 0.840 8.643 23.021 17.692 -99.200 -91.000 TRP 353 1.040 10.497 26.319 2.995 -99.200 -91.000 TRP6 353 1.020 9.006 24.524 3.484 -99.200 -91.000 HIS 358 0.900 9.329 23.811 23.079 -99.200 -91.000 TRP 383 1.040 12.731 35.076 27.933 -99.200 -91.000 TRP6 383 1.020 11.341 35.531 26.051 -99.200 -91.000 TYR 390 0.840 7.712 39.598 47.560 -99.200 -91.000 TYR 419 0.840 3.255 46.650 27.993 -99.200 -91.000 TRP 426 1.040 3.150 40.610 37.838 -99.200 -91.000 TRP6 426 1.020 5.101 40.889 36.557 -99.200 -91.000 TYR 431 0.840 8.791 34.381 48.672 -99.200 -91.000 TYR 437 0.840 6.316 39.157 29.949 -99.200 -91.000 PHE 439 1.000 6.227 36.502 23.130 -99.200 -91.000 PHE 452 1.000 8.472 36.725 18.951 -99.200 -91.000