============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 27 0.840 30.799 17.207 -17.694 -99.200 -91.000 TYR 30 0.840 33.720 9.560 -20.969 -99.200 -91.000 HIS 50 0.900 47.848 19.032 -14.368 -99.200 -91.000 TRP 61 1.040 42.596 29.956 -17.842 -99.200 -91.000 TRP6 61 1.020 42.938 32.112 -16.914 -99.200 -91.000 PHE 62 1.000 36.031 33.004 -20.572 -99.200 -91.000 TYR 85 0.840 33.979 28.768 -26.211 -99.200 -91.000 HIS 93 0.900 25.071 27.913 -12.567 -99.200 -91.000 TRP 112 1.040 22.580 33.652 6.508 -99.200 -91.000 TRP6 112 1.020 21.644 31.758 7.568 -99.200 -91.000 PHE 124 1.000 18.653 36.019 -10.544 -99.200 -91.000 PHE 144 1.000 20.647 25.880 -11.043 -99.200 -91.000 TRP 157 1.040 25.029 20.126 8.240 -99.200 -91.000 TRP6 157 1.020 26.936 20.055 6.833 -99.200 -91.000 TYR 160 0.840 26.690 23.310 2.081 -99.200 -91.000 PHE 165 1.000 15.678 22.721 2.696 -99.200 -91.000 TYR 178 0.840 14.114 28.845 -19.503 -99.200 -91.000 PHE 201 1.000 30.634 15.673 7.843 -99.200 -91.000 TYR 219 0.840 28.777 15.667 -11.007 -99.200 -91.000 TRP 221 1.040 21.593 9.389 -17.378 -99.200 -91.000 TRP6 221 1.020 19.973 10.566 -16.120 -99.200 -91.000 PHE 235 1.000 18.220 12.926 -11.920 -99.200 -91.000