============================================================================= 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. PHE 2 1.000 38.841 28.449 16.308 -99.200 -91.000 TYR 14 0.840 24.243 13.577 17.398 -99.200 -91.000 HIS 24 0.900 18.222 9.023 35.738 -99.200 -91.000 PHE 27 1.000 22.525 8.797 30.092 -99.200 -91.000 HIS 34 0.900 29.626 8.362 23.113 -99.200 -91.000 PHE 35 1.000 34.669 15.779 26.312 -99.200 -91.000 HIS 45 0.900 36.675 22.719 15.757 -99.200 -91.000 TYR 47 0.840 30.295 14.176 22.209 -99.200 -91.000 TYR 63 0.840 6.206 21.070 28.666 -99.200 -91.000 TRP 76 1.040 30.464 23.068 17.042 -99.200 -91.000 TRP6 76 1.020 29.636 22.164 19.075 -99.200 -91.000 PHE 77 1.000 30.842 16.031 12.260 -99.200 -91.000 TYR 83 0.840 28.776 14.182 8.210 -99.200 -91.000 TYR 86 0.840 31.594 11.395 12.899 -99.200 -91.000 TRP 95 1.040 32.317 8.477 20.361 -99.200 -91.000 TRP6 95 1.020 31.665 10.458 19.222 -99.200 -91.000 PHE 96 1.000 27.101 6.691 15.800 -99.200 -91.000 HIS 98 0.900 30.500 4.473 25.716 -99.200 -91.000 TYR 101 0.840 27.096 -0.510 28.570 -99.200 -91.000 PHE 102 1.000 26.430 6.879 26.270 -99.200 -91.000 PHE 109 1.000 16.237 17.870 16.930 -99.200 -91.000