============================================================================= 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 6 1.000 18.697 35.594 1.655 -99.200 -91.000 HIS 36 0.900 17.091 33.515 -5.034 -99.200 -91.000 PHE 42 1.000 9.611 27.952 -5.641 -99.200 -91.000 PHE 48 1.000 -2.685 20.784 2.716 -99.200 -91.000 PHE 50 1.000 1.810 27.137 10.503 -99.200 -91.000 PHE 57 1.000 -5.407 24.679 17.054 -99.200 -91.000 TYR 73 0.840 -9.588 6.684 10.544 -99.200 -91.000 TRP 81 1.040 4.433 9.807 6.734 -99.200 -91.000 TRP6 81 1.020 5.843 8.122 7.592 -99.200 -91.000 PHE 88 1.000 -4.992 7.468 17.620 -99.200 -91.000 HIS 93 0.900 -12.761 7.748 17.838 -99.200 -91.000 TYR 128 0.840 -7.781 30.187 7.852 -99.200 -91.000 PHE 129 1.000 -3.733 28.790 2.027 -99.200 -91.000 TYR 172 0.840 5.351 35.816 14.849 -99.200 -91.000 HIS 182 0.900 1.885 28.545 24.358 -99.200 -91.000 TRP 187 1.040 -0.144 20.921 18.339 -99.200 -91.000 TRP6 187 1.020 -2.138 20.751 17.070 -99.200 -91.000 PHE 202 1.000 16.489 28.681 10.487 -99.200 -91.000 TRP 206 1.040 18.471 31.945 16.182 -99.200 -91.000 TRP6 206 1.020 18.292 32.143 13.833 -99.200 -91.000 PHE 225 1.000 7.966 29.609 15.896 -99.200 -91.000 PHE 226 1.000 14.267 33.047 11.573 -99.200 -91.000 TYR 233 0.840 13.764 37.914 12.300 -99.200 -91.000 TYR 238 0.840 6.936 26.810 -0.269 -99.200 -91.000