============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TRP 9 1.040 17.067 19.544 58.199 -99.200 -91.000 TRP6 9 1.020 17.946 19.041 56.063 -99.200 -91.000 PHE 28 1.000 8.460 15.900 59.286 -99.200 -91.000 TYR 32 0.840 11.192 26.907 62.140 -99.200 -91.000 PHE 33 1.000 16.479 29.753 68.415 -99.200 -91.000 TYR 47 0.840 1.364 12.960 57.858 -99.200 -91.000 PHE 56 1.000 10.103 19.211 53.111 -99.200 -91.000 PHE 58 1.000 8.285 22.073 58.533 -99.200 -91.000 HIS 61 0.900 0.241 25.579 68.822 -99.200 -91.000 TRP 62 1.040 4.775 30.371 64.269 -99.200 -91.000 TRP6 62 1.020 7.115 30.007 64.077 -99.200 -91.000 PHE 64 1.000 5.381 31.587 75.874 -99.200 -91.000 TRP 71 1.040 8.444 26.462 56.548 -99.200 -91.000 TRP6 71 1.020 7.687 26.955 58.731 -99.200 -91.000 PHE 76 1.000 14.436 18.580 44.303 -99.200 -91.000 HIS 86 0.900 15.654 24.071 46.430 -99.200 -91.000 TRP 89 1.040 7.966 30.794 54.429 -99.200 -91.000 TRP6 89 1.020 6.914 32.860 54.910 -99.200 -91.000 TRP 102 1.040 -8.683 42.221 53.599 -99.200 -91.000 TRP6 102 1.020 -6.729 43.426 53.016 -99.200 -91.000 PHE 112 1.000 14.091 25.551 56.543 -99.200 -91.000