============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 29 1.000 -1.275 -28.563 7.718 -99.200 -91.000 TYR 32 0.840 -3.211 -24.069 11.733 -99.200 -91.000 TRP 36 1.040 2.678 -18.968 1.990 -99.200 -91.000 TRP6 36 1.020 4.630 -19.202 3.304 -99.200 -91.000 TRP 47 1.040 -3.585 -13.259 0.023 -99.200 -91.000 TRP6 47 1.020 -4.671 -13.992 -1.946 -99.200 -91.000 PHE 55 1.000 -11.635 -29.638 3.855 -99.200 -91.000 HIS 59 0.900 -9.422 -19.066 -3.293 -99.200 -91.000 TYR 60 0.840 -1.636 -20.249 -6.320 -99.200 -91.000 PHE 64 1.000 3.105 -11.984 -5.925 -99.200 -91.000 TYR 80 0.840 6.704 -27.448 2.436 -99.200 -91.000 PHE 93 1.000 8.644 -13.598 -0.263 -99.200 -91.000 TYR 94 0.840 6.135 -10.630 7.785 -99.200 -91.000 TYR 99 0.840 -6.147 -20.125 17.849 -99.200 -91.000 TRP 106 1.040 -9.993 -17.386 3.758 -99.200 -91.000 TRP6 106 1.020 -8.171 -18.303 2.564 -99.200 -91.000 TYR 107 0.840 -10.498 -12.717 11.277 -99.200 -91.000 PHE 108 1.000 -4.255 -13.060 6.399 -99.200 -91.000 TRP 111 1.040 -0.082 -11.800 11.158 -99.200 -91.000 TRP6 111 1.020 0.369 -10.958 8.996 -99.200 -91.000 PHE 130 1.000 36.495 2.541 0.669 -99.200 -91.000 TYR 153 0.840 27.489 -4.694 4.334 -99.200 -91.000 PHE 154 1.000 24.669 -11.063 -0.572 -99.200 -91.000 TRP 162 1.040 31.176 5.297 15.430 -99.200 -91.000 TRP6 162 1.020 32.731 6.315 13.977 -99.200 -91.000 HIS 172 0.900 21.625 9.777 14.417 -99.200 -91.000 PHE 174 1.000 22.222 7.743 8.371 -99.200 -91.000 TYR 184 0.840 22.557 -6.351 1.769 -99.200 -91.000 TYR 202 0.840 36.375 11.526 17.667 -99.200 -91.000 HIS 208 0.900 30.077 -9.369 5.962 -99.200 -91.000