============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 9 1.000 -10.874 15.335 21.811 -99.200 -91.000 PHE 17 1.000 -16.068 12.875 23.489 -99.200 -91.000 TYR 39 0.840 -5.040 16.566 14.056 -99.200 -91.000 TYR 42 0.840 -5.916 10.664 12.716 -99.200 -91.000 TYR 46 0.840 -8.563 5.601 12.853 -99.200 -91.000 HIS 50 0.900 -5.842 3.909 26.778 -99.200 -91.000 PHE 53 1.000 -15.941 6.776 20.332 -99.200 -91.000 HIS 63 0.900 -22.536 21.704 12.608 -99.200 -91.000 TRP 84 1.040 -16.844 26.967 28.716 -99.200 -91.000 TRP6 84 1.020 -16.326 25.142 27.291 -99.200 -91.000 PHE 99 1.000 -5.619 28.643 29.959 -99.200 -91.000 HIS 108 0.900 -12.363 27.239 31.093 -99.200 -91.000 PHE 129 1.000 -11.834 19.113 47.053 -99.200 -91.000 PHE 135 1.000 -13.614 12.734 44.370 -99.200 -91.000 TYR 138 0.840 -17.358 20.570 46.019 -99.200 -91.000 PHE 164 1.000 -1.275 -2.293 59.259 -99.200 -91.000 HIS 175 0.900 4.310 8.676 34.766 -99.200 -91.000 HIS 189 0.900 12.499 27.109 29.306 -99.200 -91.000 TRP 192 1.040 18.528 22.371 31.809 -99.200 -91.000 TRP6 192 1.020 20.796 22.983 32.133 -99.200 -91.000 PHE 229 1.000 14.777 6.466 39.059 -99.200 -91.000 TYR 251 0.840 3.670 -7.837 51.431 -99.200 -91.000 TYR 272 0.840 -4.721 -8.141 47.546 -99.200 -91.000 PHE 282 1.000 -2.171 -3.940 36.886 -99.200 -91.000 PHE 290 1.000 -0.541 -4.113 48.236 -99.200 -91.000 PHE 302 1.000 12.744 0.670 55.897 -99.200 -91.000 TRP 308 1.040 1.361 -2.867 38.980 -99.200 -91.000 TRP6 308 1.020 3.058 -2.423 37.387 -99.200 -91.000 TYR 309 0.840 0.270 5.800 38.726 -99.200 -91.000 TYR 315 0.840 -5.961 13.152 36.848 -99.200 -91.000 HIS 325 0.900 -18.428 14.511 46.210 -99.200 -91.000