============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 5 0.840 33.106-210.140 31.655 -99.200 -91.000 PHE 7 1.000 32.872-210.367 26.080 -99.200 -91.000 PHE 12 1.000 20.574-214.141 16.681 -99.200 -91.000 TYR 23 0.840 20.002-221.642 28.166 -99.200 -91.000 TYR 75 0.840 7.980-211.303 40.471 -99.200 -91.000 TYR 82 0.840 7.819-207.039 40.015 -99.200 -91.000 HIS 94 0.900 7.635-189.748 37.884 -99.200 -91.000 TYR 97 0.840 3.859-189.746 27.947 -99.200 -91.000 TYR 101 0.840 4.777-185.694 25.588 -99.200 -91.000 TYR 104 0.840 1.662-189.894 36.821 -99.200 -91.000 PHE 130 1.000 16.262-206.532 33.562 -99.200 -91.000 HIS 139 0.900 -8.675-195.546 32.212 -99.200 -91.000 PHE 142 1.000 -7.415-188.896 24.152 -99.200 -91.000 PHE 145 1.000 -10.502-199.757 32.968 -99.200 -91.000 TYR 148 0.840 -0.407-203.515 26.282 -99.200 -91.000 TYR 156 0.840 5.407-204.147 23.688 -99.200 -91.000 PHE 157 1.000 3.736-211.418 23.851 -99.200 -91.000 TRP 159 1.040 -1.494-211.909 26.812 -99.200 -91.000 TRP6 159 1.020 -2.107-213.938 25.765 -99.200 -91.000 PHE 174 1.000 -11.138-221.835 36.062 -99.200 -91.000 TRP 179 1.040 -12.013-212.314 29.335 -99.200 -91.000 TRP6 179 1.020 -12.498-211.630 27.125 -99.200 -91.000 HIS 190 0.900 -16.544-215.883 41.963 -99.200 -91.000 PHE 204 1.000 -6.797-219.094 46.852 -99.200 -91.000 TYR 223 0.840 -4.207-183.339 45.453 -99.200 -91.000 PHE 234 1.000 -1.855-200.416 41.894 -99.200 -91.000