============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 3 1.000 7.266 23.351 22.725 -99.200 -91.000 TYR 20 0.840 20.032 21.623 35.680 -99.200 -91.000 TRP 28 1.040 19.215 19.909 28.429 -99.200 -91.000 TRP6 28 1.020 18.509 18.205 29.898 -99.200 -91.000 TRP 34 1.040 17.215 11.360 17.534 -99.200 -91.000 TRP6 34 1.020 16.428 10.116 15.709 -99.200 -91.000 TYR 38 0.840 12.127 18.773 18.223 -99.200 -91.000 TYR 45 0.840 1.511 -0.446 29.682 -99.200 -91.000 TYR 54 0.840 2.769 9.238 31.945 -99.200 -91.000 PHE 57 1.000 12.914 17.331 27.979 -99.200 -91.000 TYR 63 0.840 13.487 3.799 38.402 -99.200 -91.000 TRP 64 1.040 12.930 9.529 36.742 -99.200 -91.000 TRP6 64 1.020 14.551 10.255 38.329 -99.200 -91.000 HIS 78 0.900 8.658 17.955 44.286 -99.200 -91.000 TRP 109 1.040 15.566 10.590 29.224 -99.200 -91.000 TRP6 109 1.020 16.383 12.386 30.524 -99.200 -91.000 TRP 112 1.040 22.308 12.565 25.180 -99.200 -91.000 TRP6 112 1.020 24.349 11.766 26.017 -99.200 -91.000 TYR 124 0.840 19.372 17.303 16.714 -99.200 -91.000