============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 8 0.840 -25.322 -21.711 -9.458 -99.200 -91.000 TYR 11 0.840 -21.798 -26.495 2.918 -99.200 -91.000 TYR 15 0.840 -10.399 -28.212 -8.064 -99.200 -91.000 TYR 31 0.840 -17.940 -5.401 -2.779 -99.200 -91.000 HIS 35 0.900 -26.165 -6.170 6.268 -99.200 -91.000 TYR 39 0.840 -22.545 -16.287 -0.213 -99.200 -91.000 PHE 41 1.000 -22.700 -23.323 -1.103 -99.200 -91.000 PHE 46 1.000 -21.280 -32.223 -7.370 -99.200 -91.000 HIS 59 0.900 -30.491 -23.898 1.754 -99.200 -91.000 TYR 64 0.840 -35.451 -21.853 11.657 -99.200 -91.000 PHE 69 1.000 -25.214 -19.563 4.984 -99.200 -91.000 PHE 72 1.000 -23.319 -24.923 9.470 -99.200 -91.000 PHE 77 1.000 -17.229 -25.104 1.433 -99.200 -91.000 TRP 87 1.040 -17.133 -35.148 4.338 -99.200 -91.000 TRP6 87 1.020 -17.408 -32.951 5.186 -99.200 -91.000 HIS 96 0.900 -18.542 -28.565 11.713 -99.200 -91.000 HIS 101 0.900 -19.660 -21.886 21.447 -99.200 -91.000 TYR 114 0.840 -29.640 -31.304 10.489 -99.200 -91.000 TRP 122 1.040 -36.737 -32.867 3.234 -99.200 -91.000 TRP6 122 1.020 -35.936 -34.494 4.744 -99.200 -91.000 HIS 136 0.900 -30.103 -24.248 -19.016 -99.200 -91.000 PHE 144 1.000 -22.852 -17.955 -13.371 -99.200 -91.000 TYR 154 0.840 -11.145 -21.736 -7.891 -99.200 -91.000 TYR 156 0.840 -12.119 -8.865 -2.614 -99.200 -91.000 TYR 159 0.840 -16.126 -13.945 -6.551 -99.200 -91.000