============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 12 0.840 17.670 9.759 -48.115 -99.200 -91.000 TRP 18 1.040 3.271 -4.847 -36.973 -99.200 -91.000 TRP6 18 1.020 2.611 -6.796 -38.124 -99.200 -91.000 TYR 38 0.840 22.030 15.763 -44.293 -99.200 -91.000 PHE 41 1.000 21.773 20.871 -33.611 -99.200 -91.000 PHE 65 1.000 27.105 15.688 -43.544 -99.200 -91.000 PHE 75 1.000 38.894 13.419 -31.704 -99.200 -91.000 HIS 86 0.900 36.794 13.278 -46.730 -99.200 -91.000 TRP 87 1.040 31.578 13.981 -41.618 -99.200 -91.000 TRP6 87 1.020 32.078 12.595 -39.764 -99.200 -91.000 PHE 89 1.000 29.403 16.820 -38.809 -99.200 -91.000 TYR 105 0.840 19.493 24.030 -30.559 -99.200 -91.000 PHE 112 1.000 23.412 18.666 -29.671 -99.200 -91.000 HIS 113 0.900 28.548 12.265 -25.618 -99.200 -91.000 TYR 132 0.840 0.472 5.441 -41.322 -99.200 -91.000 TYR 147 0.840 29.628 -2.612 -40.974 -99.200 -91.000 PHE 148 1.000 26.970 0.134 -36.646 -99.200 -91.000 TYR 181 0.840 11.680 -9.358 -50.075 -99.200 -91.000 PHE 196 1.000 24.206 -5.480 -54.917 -99.200 -91.000 PHE 203 1.000 27.901 -3.244 -52.547 -99.200 -91.000 PHE 215 1.000 16.306 -15.025 -40.123 -99.200 -91.000 HIS 225 0.900 34.240 6.004 -46.435 -99.200 -91.000 PHE 231 1.000 26.161 4.894 -57.325 -99.200 -91.000 PHE 238 1.000 28.087 15.461 -68.547 -99.200 -91.000 PHE 243 1.000 28.051 27.669 -65.813 -99.200 -91.000 TYR 287 0.840 29.765 31.086 -61.048 -99.200 -91.000 TYR 292 0.840 24.536 23.152 -67.040 -99.200 -91.000 PHE 301 1.000 23.438 7.332 -62.806 -99.200 -91.000 TYR 308 0.840 31.963 5.534 -57.806 -99.200 -91.000 PHE 309 1.000 26.007 2.335 -61.579 -99.200 -91.000 HIS 331 0.900 18.891 -22.410 -51.120 -99.200 -91.000 PHE 352 1.000 28.496 -12.976 -59.095 -99.200 -91.000 PHE 353 1.000 23.857 -14.035 -57.057 -99.200 -91.000 TYR 370 0.840 6.980 -5.833 -44.892 -99.200 -91.000