============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 9 1.000 11.765 49.070 -46.529 -99.200 -91.000 TRP 20 1.040 6.480 43.856 -25.453 -99.200 -91.000 TRP6 20 1.020 7.948 44.672 -23.783 -99.200 -91.000 TRP 27 1.040 13.384 40.011 -20.873 -99.200 -91.000 TRP6 27 1.020 11.870 41.662 -21.648 -99.200 -91.000 PHE 34 1.000 20.844 36.946 -31.492 -99.200 -91.000 HIS 35 0.900 21.304 30.267 -36.767 -99.200 -91.000 PHE 49 1.000 27.885 37.492 -50.898 -99.200 -91.000 HIS 53 0.900 21.657 49.439 -55.612 -99.200 -91.000 TRP 56 1.040 25.721 36.053 -55.685 -99.200 -91.000 TRP6 56 1.020 27.971 35.946 -56.424 -99.200 -91.000 PHE 67 1.000 33.315 45.324 -51.038 -99.200 -91.000 PHE 71 1.000 36.380 42.512 -47.191 -99.200 -91.000 HIS 80 0.900 28.926 43.438 -37.314 -99.200 -91.000 PHE 94 1.000 28.521 28.504 -31.565 -99.200 -91.000 HIS 104 0.900 29.360 38.558 -36.044 -99.200 -91.000 PHE 109 1.000 30.057 36.557 -30.211 -99.200 -91.000 HIS 118 0.900 29.388 30.404 -45.949 -99.200 -91.000 PHE 122 1.000 40.319 41.614 -41.490 -99.200 -91.000 TYR 133 0.840 49.693 31.674 -36.768 -99.200 -91.000 TRP 165 1.040 31.647 30.081 -56.693 -99.200 -91.000 TRP6 165 1.020 29.360 30.716 -56.704 -99.200 -91.000 HIS 223 0.900 14.577 27.453 -44.638 -99.200 -91.000 HIS 226 0.900 9.557 25.834 -42.981 -99.200 -91.000 HIS 232 0.900 9.311 40.891 -43.625 -99.200 -91.000 TYR 234 0.840 16.757 49.971 -43.465 -99.200 -91.000 HIS 245 0.900 11.186 47.099 -26.662 -99.200 -91.000 TRP 253 1.040 35.318 47.779 -32.609 -99.200 -91.000 TRP6 253 1.020 36.328 48.951 -34.401 -99.200 -91.000